data_1x1g_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 1x1g _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 ' 12' ' ' VAL . . . . . 0.43 ' CG2' ' N ' ' A' ' 13' ' ' GLU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.596 ' OE2' ' CZ ' ' A' ' 47' ' ' PHE . 2.2 mm-40 -53.16 -40.59 64.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.329 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.522 HD11 ' CG ' ' A' ' 49' ' ' HIS . 1.0 OUTLIER -87.0 10.66 15.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.0 t -100.37 49.3 0.91 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 110.001 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -123.18 158.2 17.77 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.518 1.136 . . . . 0.0 110.985 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.4 m -68.66 119.07 12.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 0.756 . . . . 0.0 110.419 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.4 t -54.5 123.02 4.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 109.282 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.447 ' CG1' ' HE2' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -110.71 -26.57 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 109.311 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.534 ' HG2' ' CD2' ' A' ' 115' ' ' TRP . 2.3 tptt -159.84 142.08 13.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.41 ' NE2' HG23 ' A' ' 40' ' ' VAL . 9.9 mt-30 -146.7 149.76 34.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.327 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 160.42 -163.77 34.14 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.532 1.145 . . . . 0.0 110.996 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.443 ' CZ ' ' HD2' ' A' ' 38' ' ' ARG . 76.6 m-85 -118.75 130.09 55.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 0.779 . . . . 0.0 110.996 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.552 ' HB2' ' CD1' ' A' ' 39' ' ' PHE . 21.0 mt -123.08 170.54 10.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.365 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -120.89 107.34 12.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.563 1.164 . . . . 0.0 109.28 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 59.0 tttt -89.13 141.69 28.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.464 ' HB2' ' CE2' ' A' ' 34' ' ' TRP . 2.3 tt0 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.305 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.464 ' CE2' ' HB2' ' A' ' 27' ' ' GLN . 11.6 m0 . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.93 136.17 52.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.268 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.5 t -79.83 130.37 36.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.347 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -136.58 144.91 44.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.298 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.443 ' HD2' ' CZ ' ' A' ' 23' ' ' TYR . 5.1 ttt180 -79.34 108.33 12.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.309 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.552 ' CD1' ' HB2' ' A' ' 24' ' ' LEU . 12.5 m-85 -97.69 142.11 29.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.41 HG23 ' NE2' ' A' ' 21' ' ' GLN . 7.6 p -126.13 138.14 55.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.437 ' N ' ' O ' ' A' ' 20' ' ' LYS . 0.4 OUTLIER -114.74 132.6 56.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.324 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 49.5 mtt-85 -130.69 167.86 18.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 110.306 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.447 ' HE2' ' CG1' ' A' ' 19' ' ' VAL . 4.3 pttt -145.09 140.33 27.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.51 ' N ' ' C ' ' A' ' 45' ' ' PRO . 25.7 t70 49.2 76.59 0.53 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.51 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.3 Cg_endo -74.99 166.41 83.34 Favored 'Cis proline' 0 C--N 1.36 1.17 0 C-N-CA 121.008 -2.497 . . . . 0.0 110.978 0.011 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -97.85 103.74 15.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 109.32 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.596 ' CZ ' ' OE2' ' A' ' 13' ' ' GLU . 9.8 m-85 -148.05 160.68 42.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.094 . . . . 0.0 111.053 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.48 HD23 ' CZ ' ' A' ' 64' ' ' PHE . 10.9 tp -135.7 114.08 11.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.522 ' CG ' HD11 ' A' ' 14' ' ' LEU . 54.9 m80 -118.2 161.7 19.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 0.0 109.614 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.409 ' CE2' ' HB ' ' A' ' 61' ' ' VAL . 32.8 p90 -143.68 141.09 30.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 111.031 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.572 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 7.2 m-85 -117.4 147.14 42.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.962 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.446 ' N ' ' CG2' ' A' ' 61' ' ' VAL . 4.5 t0 -82.36 123.88 78.65 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.147 . . . . 0.0 109.3 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.221 0 O-C-N 124.451 1.764 . . . . 0.0 110.952 -179.986 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.8 mtt85 . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.572 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 18.2 Cg_endo -75.0 162.58 36.89 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.517 1.799 . . . . 0.0 111.003 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.446 ' CG2' ' N ' ' A' ' 52' ' ' ASP . 1.8 t -76.86 -29.86 17.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -158.18 -136.59 2.1 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.528 1.142 . . . . 0.0 111.001 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.448 ' HA3' ' CD2' ' A' ' 49' ' ' HIS . . . 131.45 123.55 2.49 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.019 -0.833 . . . . 0.0 111.019 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.48 ' CZ ' HD23 ' A' ' 48' ' ' LEU . 15.0 p90 -120.14 153.22 36.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 0.769 . . . . 0.0 111.002 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.5 m -60.35 148.67 36.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.023 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.415 ' O ' ' C ' ' A' ' 67' ' ' ARG . 93.6 mt -104.64 -44.88 4.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.2 OUTLIER -37.69 -64.75 0.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 110.316 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -91.58 54.59 3.08 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.443 1.089 . . . . 0.0 110.973 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 10.5 m -140.67 -178.0 5.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 0.767 . . . . 0.0 109.984 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.413 HD11 ' N ' ' A' ' 71' ' ' VAL . 1.4 tm? -149.85 165.14 33.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.16 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.512 ' CG1' ' CG ' ' A' ' 120' ' ' LYS . 7.3 p -149.47 142.55 17.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.6 m -155.01 166.79 32.49 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.511 1.132 . . . . 0.0 110.007 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -99.15 160.72 14.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.305 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.415 ' CD1' ' HB2' ' A' ' 91' ' ' LEU . 3.8 mt . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.33 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.469 ' CD2' ' HB2' ' A' ' 105' ' ' GLN . 1.2 mp . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.57 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 8.8 p90 -157.22 149.97 23.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 110.974 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.02 162.5 17.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 67.1 t -128.26 108.36 17.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.469 ' CG2' ' CD2' ' A' ' 101' ' ' HIS . 40.5 mt -88.13 108.16 18.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 2.0 p -82.58 -176.27 6.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 110.404 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.85 -21.07 66.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -93.46 17.17 11.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.442 1.089 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 40.66 44.3 1.79 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 8.5 m -77.51 -51.32 10.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.383 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.471 ' N ' ' CD2' ' A' ' 101' ' ' HIS . 5.9 m170 76.62 91.06 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.607 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 46.7 m-85 -95.07 117.68 30.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 111.004 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -86.53 126.33 34.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.998 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.57 ' HB ' ' CZ ' ' A' ' 92' ' ' PHE . 22.8 mt -134.88 166.56 28.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.153 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.469 ' HB2' ' CD2' ' A' ' 91' ' ' LEU . 4.6 tp60 -127.7 151.87 48.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.274 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.47 ' HA ' ' CD2' ' A' ' 24' ' ' LEU . . . -107.53 153.99 22.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.87 -46.04 74.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.967 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.92 162.88 29.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.005 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 4.3 tttt -50.84 -41.41 57.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.271 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -69.48 -52.47 26.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.356 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -39.62 -39.72 0.78 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.274 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.468 ' CG ' HD12 ' A' ' 116' ' ' ILE . 2.7 ttt-85 -60.04 -72.08 0.12 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.504 1.127 . . . . 0.0 110.288 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.422 ' N ' ' HG2' ' A' ' 112' ' ' ARG . . . -39.78 -38.02 0.61 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -68.18 -53.47 24.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.312 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' TRP . . . . . 0.534 ' CD2' ' HG2' ' A' ' 20' ' ' LYS . 55.0 m95 -59.26 -29.81 67.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 108.009 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.468 HD12 ' CG ' ' A' ' 112' ' ' ARG . 53.8 mt -71.95 -77.12 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.332 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 116' ' ' ILE . 2.5 tt0 -37.34 -40.77 0.37 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.089 . . . . 0.0 110.297 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -55.56 -65.32 0.61 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 81.7 mt -44.95 -56.56 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.512 ' CG ' ' CG1' ' A' ' 71' ' ' VAL . 19.2 mttt -41.51 -52.8 3.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 11.9 mttt -41.09 -60.2 1.28 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.403 HD23 ' CD2' ' A' ' 41' ' ' LEU . 0.3 OUTLIER -52.66 -52.07 57.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' THR . . . . . 0.404 ' O ' ' O ' ' A' ' 120' ' ' LYS . 15.7 p . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 110.354 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.481 ' O ' ' CG ' ' A' ' 45' ' ' PRO . 1.9 p . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.419 ' H ' ' CG1' ' A' ' 12' ' ' VAL . 70.7 mt-10 -59.05 -45.28 91.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.339 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.546 HD23 ' CD2' ' A' ' 49' ' ' HIS . 1.1 mt -84.95 1.03 49.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.416 ' HB2' ' CA ' ' A' ' 12' ' ' VAL . 0.5 OUTLIER -93.13 52.61 1.82 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.029 179.945 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.428 ' O ' ' NH1' ' A' ' 42' ' ' ARG . . . -127.01 159.36 21.17 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.524 1.14 . . . . 0.0 111.029 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.3 m -72.86 123.25 23.02 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.458 0.74 . . . . 0.0 110.366 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.2 t -56.48 124.54 10.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -111.72 -29.7 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.539 ' HG2' ' CD2' ' A' ' 115' ' ' TRP . 3.2 tttt -154.47 143.22 20.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.465 ' NE2' ' CG2' ' A' ' 40' ' ' VAL . 12.1 mt-30 -146.85 147.92 31.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.29 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 163.04 -173.95 39.3 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.479 1.112 . . . . 0.0 111.031 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.559 ' CE1' ' HB2' ' A' ' 38' ' ' ARG . 83.4 m-85 -112.44 121.84 45.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 0.768 . . . . 0.0 110.979 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.567 ' HB2' ' CD1' ' A' ' 39' ' ' PHE . 17.5 mt -114.88 172.04 7.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -120.39 112.26 18.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.1 tttt -81.02 142.92 32.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.52 ' HA ' ' CE2' ' A' ' 34' ' ' TRP . 6.8 tt0 . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.557 1.161 . . . . 0.0 110.317 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.52 ' CE2' ' HA ' ' A' ' 27' ' ' GLN . 15.9 m95 . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 10.4 tppt? -98.89 148.57 23.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.2 t -88.57 135.13 26.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -138.43 144.71 40.27 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.135 . . . . 0.0 110.289 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.559 ' HB2' ' CE1' ' A' ' 23' ' ' TYR . 0.9 OUTLIER -78.71 105.08 9.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.312 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.567 ' CD1' ' HB2' ' A' ' 24' ' ' LEU . 16.4 m-85 -96.94 136.45 37.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 110.982 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.465 ' CG2' ' NE2' ' A' ' 21' ' ' GLN . 11.2 p -120.17 141.95 38.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.522 HD13 ' CE3' ' A' ' 115' ' ' TRP . 0.6 OUTLIER -117.09 128.2 54.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.253 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.451 ' NH1' ' O ' ' A' ' 14' ' ' LEU . 41.5 mtt-85 -128.34 168.09 16.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 110.333 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 45' ' ' PRO . 0.5 OUTLIER -142.97 147.73 35.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 109.327 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.478 ' N ' ' C ' ' A' ' 45' ' ' PRO . 13.8 t0 48.02 78.31 0.41 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.481 ' CG ' ' O ' ' A' ' 12' ' ' VAL . 18.2 Cg_endo -75.0 172.04 65.04 Favored 'Cis proline' 0 C--N 1.36 1.158 0 C-N-CA 121.014 -2.494 . . . . 0.0 111.011 -0.012 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -95.31 100.79 12.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.31 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.552 ' CE2' ' HB3' ' A' ' 65' ' ' SER . 24.6 m-85 -145.6 166.01 27.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.947 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.504 HD23 ' CZ ' ' A' ' 64' ' ' PHE . 5.0 tp -142.94 113.71 7.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.354 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.546 ' CD2' HD23 ' A' ' 14' ' ' LEU . 63.0 m80 -116.41 165.79 12.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.613 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.483 ' CE1' ' HB ' ' A' ' 61' ' ' VAL . 49.1 p90 -151.36 143.37 23.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.557 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 16.6 m-85 -119.3 157.66 27.65 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.478 1.111 . . . . 0.0 111.031 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -88.61 123.48 67.88 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.14 0 O-C-N 124.511 1.795 . . . . 0.0 111.016 179.969 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.6 ttp180 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.557 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 18.2 Cg_endo -75.03 160.99 39.41 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.45 1.763 . . . . 0.0 111.002 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.483 ' HB ' ' CE1' ' A' ' 50' ' ' TYR . 3.8 t -77.28 -30.39 17.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.423 ' HA3' ' CZ ' ' A' ' 50' ' ' TYR . . . -158.66 -129.24 1.06 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.475 1.11 . . . . 0.0 111.031 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.464 ' HA3' ' CD2' ' A' ' 49' ' ' HIS . . . 114.2 125.42 4.15 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.517 ' CE2' HD23 ' A' ' 66' ' ' LEU . 13.1 p90 -119.39 153.48 35.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.453 0.737 . . . . 0.0 110.991 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.552 ' HB3' ' CE2' ' A' ' 47' ' ' PHE . 7.0 p -74.37 117.27 15.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.012 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.517 HD23 ' CE2' ' A' ' 64' ' ' PHE . 87.7 mt -66.09 -44.48 84.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 66' ' ' LEU . 14.1 mmt-85 -37.55 110.88 0.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.307 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 78.38 49.54 6.7 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.504 1.128 . . . . 0.0 110.995 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 47.2 m -132.63 -174.68 3.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.566 0.803 . . . . 0.0 109.995 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.466 ' N ' ' O ' ' A' ' 95' ' ' ILE . 17.3 tp -154.88 156.1 35.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.486 ' CG1' ' CG ' ' A' ' 120' ' ' LYS . 4.4 p -141.11 153.1 20.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.2 m -160.63 161.86 32.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.1 . . . . 0.0 109.99 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -105.54 146.81 29.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.304 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.093 . . . . 0.0 109.268 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.469 ' CD2' ' HB2' ' A' ' 105' ' ' GLN . 2.1 mp . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.589 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 4.3 p90 -164.38 152.27 12.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.993 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.473 ' HE2' ' CG1' ' A' ' 95' ' ' ILE . 1.2 ptmt -119.17 168.15 11.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.272 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 56.1 t -132.99 100.56 3.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.57 HG12 ' CD2' ' A' ' 101' ' ' HIS . 60.4 mt -84.85 105.43 13.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 73.4 p -82.24 -170.06 2.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.123 . . . . 0.0 110.39 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.16 -14.68 62.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 109.351 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -100.13 12.54 36.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.267 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.577 ' C ' ' CD2' ' A' ' 101' ' ' HIS . 0.5 OUTLIER 46.93 35.69 3.47 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.563 HG23 ' CE2' ' A' ' 102' ' ' TYR . 55.1 m -65.85 -60.56 2.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 110.428 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.577 ' CD2' ' C ' ' A' ' 99' ' ' ASP . 2.7 m170 81.61 93.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.59 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.563 ' CE2' HG23 ' A' ' 100' ' ' THR . 51.2 m-85 -99.14 101.59 12.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 111.021 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -74.28 126.86 31.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.575 1.172 . . . . 0.0 110.995 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.589 ' HB ' ' CZ ' ' A' ' 92' ' ' PHE . 37.0 mt -136.79 168.3 22.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.316 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.469 ' HB2' ' CD2' ' A' ' 91' ' ' LEU . 6.2 tp60 -121.73 149.42 43.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 110.283 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.423 ' HB1' ' NE ' ' A' ' 112' ' ' ARG . . . -106.96 169.02 8.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.352 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.87 -33.58 34.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 110.041 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' SER . . . . . 0.425 ' O ' ' N ' ' A' ' 111' ' ' GLU . 0.1 OUTLIER -148.21 149.74 32.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.999 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 108' ' ' SER . 0.0 OUTLIER -40.03 -44.31 1.72 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.68 -48.86 73.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.264 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 108' ' ' SER . 1.0 OUTLIER -42.33 -41.17 2.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.15 . . . . 0.0 110.276 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.476 ' O ' ' C ' ' A' ' 113' ' ' ALA . 0.7 OUTLIER -56.83 -74.27 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.095 . . . . 0.0 110.264 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.529 ' O ' ' N ' ' A' ' 117' ' ' GLU . . . -34.23 -53.63 0.49 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.474 ' O ' ' CB ' ' A' ' 118' ' ' ALA . 46.6 mm-40 -53.29 -52.15 60.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.299 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' TRP . . . . . 0.539 ' CD2' ' HG2' ' A' ' 20' ' ' LYS . 63.4 m95 -65.19 -44.69 87.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 108.034 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.402 ' O ' ' C ' ' A' ' 117' ' ' GLU . 62.1 mt -61.86 -77.84 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.335 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.529 ' N ' ' O ' ' A' ' 113' ' ' ALA . 2.7 tt0 -37.19 -46.57 0.72 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 0.0 110.293 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.474 ' CB ' ' O ' ' A' ' 114' ' ' GLU . . . -48.73 -58.29 5.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 24.0 mt -53.74 -54.06 22.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.486 ' CG ' ' CG1' ' A' ' 71' ' ' VAL . 19.2 mttt -44.82 -41.77 7.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 16.3 mttt -55.86 -61.74 2.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 109.288 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.473 HD22 ' CD1' ' A' ' 66' ' ' LEU . 0.3 OUTLIER -45.92 -52.95 10.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.276 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 67.1 p . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 110.387 -179.994 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.404 ' CG1' ' H ' ' A' ' 13' ' ' GLU . 2.4 p . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.404 ' H ' ' CG1' ' A' ' 12' ' ' VAL . 47.6 mt-10 -58.0 -47.63 82.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 110.244 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.556 HD22 ' CD2' ' A' ' 49' ' ' HIS . 0.5 OUTLIER -85.81 9.28 17.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.27 -179.934 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.82 56.81 0.82 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.971 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -129.28 155.97 21.04 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.517 1.136 . . . . 0.0 110.953 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.0 m -67.56 113.74 5.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 0.777 . . . . 0.0 110.402 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.451 ' CG2' ' NH1' ' A' ' 42' ' ' ARG . 2.3 t -50.66 119.69 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.464 ' CG1' ' HE2' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -109.65 -27.6 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.113 . . . . 0.0 109.321 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.524 ' HG2' ' CD2' ' A' ' 115' ' ' TRP . 11.3 tptt -153.6 145.85 23.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.431 ' N ' ' HG3' ' A' ' 20' ' ' LYS . 28.3 mt-30 -152.92 158.84 42.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.281 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 148.39 -163.54 28.97 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.515 1.135 . . . . 0.0 110.996 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.509 ' CZ ' ' HD3' ' A' ' 38' ' ' ARG . 86.9 m-85 -116.38 134.3 55.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 0.76 . . . . 0.0 110.967 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.568 HD21 ' CD1' ' A' ' 115' ' ' TRP . 23.2 mt -128.09 167.94 16.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.311 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.4 ' O ' ' CE3' ' A' ' 34' ' ' TRP . . . -118.87 99.57 6.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 20.7 tttt -89.07 140.73 29.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 109.293 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.447 ' HB2' ' CE2' ' A' ' 34' ' ' TRP . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.309 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.447 ' CE2' ' HB2' ' A' ' 27' ' ' GLN . 19.2 m95 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -130.13 131.26 45.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.9 t -68.25 138.09 23.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.6 mtm-85 -148.32 140.59 24.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 110.315 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.509 ' HD3' ' CZ ' ' A' ' 23' ' ' TYR . 2.4 ttp85 -77.25 106.61 9.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 0.0 110.286 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.568 ' CD2' ' HB3' ' A' ' 50' ' ' TYR . 13.5 m-85 -96.99 149.53 21.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 110.987 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.6 p -133.79 137.16 53.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.265 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.439 ' HB2' ' CZ3' ' A' ' 115' ' ' TRP . 0.5 OUTLIER -113.41 138.2 50.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.451 ' NH1' ' CG2' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -141.76 155.6 45.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 110.343 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.464 ' HE2' ' CG1' ' A' ' 19' ' ' VAL . 0.5 OUTLIER -129.68 144.66 51.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.282 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.512 ' N ' ' C ' ' A' ' 45' ' ' PRO . 7.7 t70 53.8 76.41 0.53 Allowed Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.498 1.124 . . . . 0.0 109.334 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.512 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.3 Cg_endo -74.98 171.9 65.73 Favored 'Cis proline' 0 C--N 1.359 1.128 0 C-N-CA 120.987 -2.505 . . . . 0.0 111.024 -0.033 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -97.6 92.67 6.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.252 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.42 ' CE2' ' HB3' ' A' ' 65' ' ' SER . 10.5 m-85 -133.5 177.99 7.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.133 . . . . 0.0 110.976 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.428 HD22 ' CZ ' ' A' ' 64' ' ' PHE . 12.6 tp -153.71 113.96 3.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.258 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.556 ' CD2' HD22 ' A' ' 14' ' ' LEU . 65.3 m80 -117.62 167.55 11.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.606 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.568 ' HB3' ' CD2' ' A' ' 39' ' ' PHE . 41.6 p90 -156.28 144.01 19.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.989 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.536 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 5.6 m-85 -121.93 154.85 36.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.975 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.41 ' N ' HG21 ' A' ' 61' ' ' VAL . 6.5 t70 -89.89 127.19 54.88 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.418 1.074 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.171 0 O-C-N 124.491 1.785 . . . . 0.0 111.048 179.975 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.325 -0.25 . . . . 0.0 110.325 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.536 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 18.2 Cg_endo -75.05 160.6 39.8 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.49 1.784 . . . . 0.0 111.001 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.431 ' CG2' ' HA ' ' A' ' 51' ' ' TYR . 4.4 t -77.55 -31.37 17.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.405 ' HA3' ' CZ ' ' A' ' 50' ' ' TYR . . . -157.8 -126.94 0.92 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.512 1.132 . . . . 0.0 110.979 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.414 ' HA3' ' CD2' ' A' ' 49' ' ' HIS . . . 111.93 121.71 4.04 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.014 -0.835 . . . . 0.0 111.014 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.428 ' CZ ' HD22 ' A' ' 48' ' ' LEU . 8.2 p90 -118.82 150.65 39.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 0.771 . . . . 0.0 111.001 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.42 ' HB3' ' CE2' ' A' ' 47' ' ' PHE . 11.4 p -74.56 126.91 31.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.105 . . . . 0.0 109.982 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.464 ' O ' ' N ' ' A' ' 69' ' ' SER . 21.7 mt -73.73 -32.54 63.92 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.145 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 53.9 mmt-85 -46.45 96.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 110.283 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 66' ' ' LEU . . . 96.04 32.31 6.85 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.433 1.083 . . . . 0.0 110.991 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 66' ' ' LEU . 97.7 p -114.45 -176.23 2.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 0.74 . . . . 0.0 110.018 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.462 ' CD1' ' N ' ' A' ' 71' ' ' VAL . 3.4 tm? -153.48 153.4 32.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.48 ' CG1' ' HG2' ' A' ' 120' ' ' LYS . 5.9 p -136.4 139.81 44.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.243 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 33.8 m -153.47 155.12 35.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 109.964 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -93.44 152.03 19.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.5 mt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.344 179.935 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.444 ' CD2' ' HB2' ' A' ' 105' ' ' GLN . 1.3 mp . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.555 ' CD1' ' HD3' ' A' ' 112' ' ' ARG . 13.1 p90 -161.72 171.55 17.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.985 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.31 164.01 29.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 72.6 t -122.86 111.93 31.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.567 HG12 ' CD2' ' A' ' 101' ' ' HIS . 77.5 mt -90.82 106.64 17.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 47.3 p -80.96 -179.06 7.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.434 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.08 -12.27 48.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -100.97 13.61 34.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.437 ' C ' ' CD2' ' A' ' 101' ' ' HIS . 1.7 m-20 43.87 42.33 4.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.49 HG21 ' CE2' ' A' ' 102' ' ' TYR . 15.9 m -73.62 -51.09 17.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.427 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.567 ' CD2' HG12 ' A' ' 95' ' ' ILE . 4.9 m170 77.44 84.79 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.61 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.49 ' CE2' HG21 ' A' ' 100' ' ' THR . 36.3 m-85 -91.8 108.46 19.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.949 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -75.35 131.34 40.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 111.026 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.488 ' HB ' ' CZ ' ' A' ' 92' ' ' PHE . 60.7 mt -135.47 164.46 32.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.451 ' N ' ' CG2' ' A' ' 104' ' ' ILE . 38.9 tt0 -134.61 146.37 49.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.315 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.434 ' CB ' ' HA ' ' A' ' 112' ' ' ARG . . . -103.21 170.23 8.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.253 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -85.21 -45.69 11.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 110.028 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.7 m -121.35 147.98 44.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 109.962 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.65 -53.87 2.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.256 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -60.23 -49.74 76.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -43.49 -39.73 3.5 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.451 1.094 . . . . 0.0 110.318 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.622 HH11 ' N ' ' A' ' 113' ' ' ALA . 0.0 OUTLIER -62.52 -70.22 0.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 110.282 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.622 ' N ' HH11 ' A' ' 112' ' ' ARG . . . -44.7 -38.6 4.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -54.32 -68.29 0.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 110.325 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' TRP . . . . . 0.568 ' CD1' HD21 ' A' ' 24' ' ' LEU . 79.2 m95 -46.23 -45.05 16.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 108.029 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.495 HD11 ' CD ' ' A' ' 112' ' ' ARG . 37.2 mt -52.56 -76.63 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.344 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -42.01 -41.93 2.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.308 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.419 ' HB1' ' CD1' ' A' ' 41' ' ' LEU . . . -54.98 -65.18 0.63 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 87.6 mt -44.61 -56.07 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.48 ' HG2' ' CG1' ' A' ' 71' ' ' VAL . 21.6 mttt -40.93 -54.77 2.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 17.6 mttt -41.07 -60.01 1.33 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.402 HD13 ' CB ' ' A' ' 43' ' ' LYS . 0.8 OUTLIER -49.39 -55.52 12.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.265 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 69.0 p . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.429 179.989 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.405 ' CG1' ' H ' ' A' ' 13' ' ' GLU . 1.7 p . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.519 ' HB3' ' CG ' ' A' ' 47' ' ' PHE . 72.4 mt-10 -64.7 -34.71 78.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.285 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.506 ' CD1' ' N ' ' A' ' 14' ' ' LEU . 2.4 mp -81.63 -9.73 59.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 109.313 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.36 61.84 5.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.148 . . . . 0.0 110.002 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -132.98 157.54 22.69 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.525 1.141 . . . . 0.0 111.037 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.4 m -67.72 119.49 12.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 0.771 . . . . 0.0 110.403 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.2 t -59.38 124.28 13.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 0.0 109.335 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -112.41 -32.01 2.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.517 ' HG2' ' CD2' ' A' ' 115' ' ' TRP . 5.0 tptt -151.09 141.19 22.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.331 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.415 ' NE2' HG23 ' A' ' 40' ' ' VAL . 7.1 mt-30 -145.58 153.72 41.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.117 . . . . 0.0 110.278 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 156.43 -163.93 32.27 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.541 1.151 . . . . 0.0 111.025 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.449 ' CE1' ' HB2' ' A' ' 38' ' ' ARG . 82.2 m-85 -118.76 126.15 51.21 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.548 0.793 . . . . 0.0 111.01 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.569 ' HB2' ' CD1' ' A' ' 39' ' ' PHE . 25.1 mt -117.64 169.24 9.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -117.22 106.51 13.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 25.8 tttm -87.9 108.78 19.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.142 . . . . 0.0 109.302 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.48 ' HG3' ' CE2' ' A' ' 34' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.436 1.085 . . . . 0.0 110.3 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.48 ' CE2' ' HG3' ' A' ' 27' ' ' GLN . 82.1 m95 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.13 122.45 42.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.152 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.6 t -73.18 142.57 14.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.5 tpp180 -152.05 152.29 32.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.58 1.175 . . . . 0.0 110.315 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.449 ' HB2' ' CE1' ' A' ' 23' ' ' TYR . 0.5 OUTLIER -83.18 103.3 12.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 110.285 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.569 ' CD1' ' HB2' ' A' ' 24' ' ' LEU . 11.2 m-85 -96.46 138.06 34.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.449 1.093 . . . . 0.0 111.005 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.485 ' CG1' ' O ' ' A' ' 49' ' ' HIS . 14.6 p -122.64 136.45 59.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.47 ' CD1' ' HB3' ' A' ' 20' ' ' LYS . 0.5 OUTLIER -109.58 119.32 39.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 109.326 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.417 ' NH1' ' HB3' ' A' ' 14' ' ' LEU . 46.5 mtt180 -119.95 155.57 32.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.117 . . . . 0.0 110.294 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 45' ' ' PRO . 0.4 OUTLIER -136.29 144.71 44.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.483 ' N ' ' C ' ' A' ' 45' ' ' PRO . 0.2 OUTLIER 47.92 78.05 0.42 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.262 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.483 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.3 Cg_endo -75.01 171.84 66.06 Favored 'Cis proline' 0 C--N 1.36 1.146 0 C-N-CA 120.997 -2.501 . . . . 0.0 111.012 0.001 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -98.15 105.48 17.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 109.258 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.519 ' CG ' ' HB3' ' A' ' 13' ' ' GLU . 21.0 m-85 -153.29 148.59 26.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 110.974 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.594 HD23 ' CZ ' ' A' ' 64' ' ' PHE . 9.4 tp -123.61 113.82 19.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 109.337 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.485 ' O ' ' CG1' ' A' ' 40' ' ' VAL . 75.5 m80 -121.99 153.23 38.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 109.627 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.425 ' HA ' ' O ' ' A' ' 38' ' ' ARG . 22.7 p90 -139.04 149.22 44.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.568 1.167 . . . . 0.0 110.97 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.524 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 23.7 m-85 -124.17 155.12 39.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 110.973 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.404 ' N ' ' CG2' ' A' ' 61' ' ' VAL . 21.4 t0 -80.4 126.68 78.23 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.286 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.152 0 O-C-N 124.514 1.797 . . . . 0.0 110.976 -179.971 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.494 ' CD ' ' HD2' ' A' ' 60' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.524 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 18.4 Cg_endo -74.98 157.22 42.97 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.501 1.79 . . . . 0.0 111.046 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.438 ' CG2' ' HA ' ' A' ' 51' ' ' TYR . 2.3 t -67.71 -26.08 34.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -166.5 -111.77 0.25 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.454 1.096 . . . . 0.0 111.017 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 100.3 131.81 7.51 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.594 ' CZ ' HD23 ' A' ' 48' ' ' LEU . 30.9 p90 -127.96 156.44 42.66 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 0.79 . . . . 0.0 110.992 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 20.8 p -63.08 165.57 6.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.548 1.155 . . . . 0.0 109.999 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 54.3 mt -119.89 -39.45 2.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 109.263 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.453 ' NH1' ' O ' ' A' ' 122' ' ' LEU . 0.0 OUTLIER -42.04 -59.04 1.88 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 110.259 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -98.28 54.94 1.12 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 19.6 m -145.05 -176.74 5.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 0.736 . . . . 0.0 110.024 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.424 HD21 ' N ' ' A' ' 71' ' ' VAL . 1.8 tt -153.21 158.3 41.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.537 ' CG1' ' HG3' ' A' ' 120' ' ' LYS . 7.6 p -133.14 153.1 36.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 74.0 m -162.08 155.59 20.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.977 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -92.55 158.8 15.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 6.7 mt . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.27 -179.964 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.1 mp . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.53 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 8.9 p90 -161.62 154.97 21.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 110.964 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.487 ' HE2' ' CG ' ' A' ' 101' ' ' HIS . 0.0 OUTLIER -123.13 164.91 17.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.327 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.559 HG12 ' CE2' ' A' ' 64' ' ' PHE . 58.1 t -129.31 117.03 42.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.569 HG12 ' CD2' ' A' ' 101' ' ' HIS . 11.2 mt -95.61 108.84 21.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 18.8 p -83.46 179.03 7.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.417 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.93 -19.44 51.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.38 10.49 17.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 33.4 t70 55.9 31.66 18.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.11 . . . . 0.0 109.304 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 60.1 m -97.03 120.28 37.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.4 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.569 ' CD2' HG12 ' A' ' 95' ' ' ILE . 15.4 m170 -86.95 109.38 19.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 109.658 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -98.11 102.92 14.8 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 1.132 . . . . 0.0 111.013 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -73.82 123.36 24.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 111.04 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.53 ' HB ' ' CZ ' ' A' ' 92' ' ' PHE . 47.6 mt -133.86 146.59 31.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.466 ' N ' HG21 ' A' ' 104' ' ' ILE . 47.7 tt0 -105.9 146.71 29.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.288 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.468 ' HA ' ' CD2' ' A' ' 24' ' ' LEU . . . -102.75 155.71 18.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 14.7 t -53.11 -50.85 63.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 109.99 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -134.46 -178.84 5.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.998 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.21 -31.69 72.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -77.7 -50.42 12.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . 0.498 ' HG3' ' CD1' ' A' ' 115' ' ' TRP . 0.6 OUTLIER -45.18 -37.98 4.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 110.29 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.458 ' CG ' HD11 ' A' ' 116' ' ' ILE . 3.1 ttp180 -58.67 -68.48 0.26 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 110.321 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -45.28 -42.24 9.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -64.19 -53.14 54.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 110.299 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' TRP . . . . . 0.517 ' CD2' ' HG2' ' A' ' 20' ' ' LYS . 55.7 m95 -58.6 -32.18 68.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 108.027 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.476 HG23 ' CD ' ' A' ' 120' ' ' LYS . 75.5 mt -74.64 -75.85 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 116' ' ' ILE . 2.3 tt0 -34.76 -43.69 0.19 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 110.318 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.72 -63.75 1.05 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.332 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.425 ' O ' ' C ' ' A' ' 120' ' ' LYS . 38.8 mt -43.75 -59.84 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.537 ' HG3' ' CG1' ' A' ' 71' ' ' VAL . 0.0 OUTLIER -38.87 -49.12 1.63 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.327 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -49.31 -60.87 2.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 109.311 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.453 ' O ' ' NH1' ' A' ' 67' ' ' ARG . 1.1 mm? -50.08 -56.68 9.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.284 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 23.0 p . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 110.377 -179.961 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.491 ' O ' ' CG ' ' A' ' 45' ' ' PRO . 1.1 p . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.528 ' OE1' ' CE2' ' A' ' 47' ' ' PHE . 41.0 mt-10 -61.77 -42.48 99.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.338 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.582 ' CD2' ' CG ' ' A' ' 49' ' ' HIS . 5.7 mt -80.91 -6.75 59.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.15 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.403 ' OG ' ' O ' ' A' ' 12' ' ' VAL . 13.7 p -88.53 48.36 1.62 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 110.012 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -121.04 155.81 16.25 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.507 1.129 . . . . 0.0 110.997 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.8 m -70.16 128.21 35.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 0.737 . . . . 0.0 110.383 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.1 t -62.5 121.46 11.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.313 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.403 ' CG1' ' HE2' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -111.97 -31.71 2.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.534 ' HG2' ' CD2' ' A' ' 115' ' ' TRP . 2.5 tptt -149.51 141.17 23.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.458 ' NE2' ' CG2' ' A' ' 40' ' ' VAL . 6.4 mt-30 -146.99 151.36 36.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.288 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 156.57 -177.84 33.33 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.502 1.127 . . . . 0.0 111.016 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.471 ' CZ ' ' HD3' ' A' ' 38' ' ' ARG . 42.5 m-85 -106.86 134.46 49.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.564 0.803 . . . . 0.0 111.025 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.498 ' CD2' ' O ' ' A' ' 105' ' ' GLN . 15.4 mt -127.49 172.48 10.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.335 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -115.27 102.03 9.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 53.1 tttt -90.29 104.38 16.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.107 . . . . 0.0 109.314 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.413 ' HB2' ' CE2' ' A' ' 34' ' ' TRP . 4.2 tt0 . . . . . 0 C--N 1.324 -0.52 0 O-C-N 124.519 1.137 . . . . 0.0 110.269 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.413 ' CE2' ' HB2' ' A' ' 27' ' ' GLN . 39.3 m95 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.16 135.37 39.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.1 t -65.09 141.18 18.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 109.276 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.45 ' HB2' ' NH1' ' A' ' 37' ' ' ARG . 0.0 OUTLIER -147.69 134.57 20.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 110.274 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.471 ' HD3' ' CZ ' ' A' ' 23' ' ' TYR . 0.2 OUTLIER -75.33 103.86 5.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 110.302 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -97.26 134.45 40.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 110.989 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.484 ' O ' ' CD1' ' A' ' 48' ' ' LEU . 12.0 p -118.76 141.04 40.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.34 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.475 ' CD1' ' HB3' ' A' ' 20' ' ' LYS . 0.4 OUTLIER -115.97 133.83 55.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 75.4 mtt-85 -133.33 173.26 11.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 45' ' ' PRO . 2.0 pttt -149.65 143.64 25.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.296 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.493 ' N ' ' C ' ' A' ' 45' ' ' PRO . 15.2 t0 50.55 77.14 0.48 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 109.321 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.493 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.1 Cg_endo -75.07 171.49 67.83 Favored 'Cis proline' 0 C--N 1.36 1.133 0 C-N-CA 121.017 -2.493 . . . . 0.0 110.98 0.056 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.426 ' CB ' HD11 ' A' ' 122' ' ' LEU . . . -97.71 105.67 17.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.357 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.528 ' CE2' ' OE1' ' A' ' 13' ' ' GLU . 25.8 m-85 -152.45 167.82 27.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 111.005 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.578 HD21 ' CE1' ' A' ' 64' ' ' PHE . 5.7 tp -142.23 113.64 7.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.582 ' CG ' ' CD2' ' A' ' 14' ' ' LEU . 54.3 m80 -116.23 165.3 13.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.609 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.624 ' C ' ' CD1' ' A' ' 51' ' ' TYR . 4.1 p90 -145.48 -175.31 4.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.984 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.624 ' CD1' ' C ' ' A' ' 50' ' ' TYR . 29.5 m-85 -157.94 148.35 20.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 111.036 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -82.28 122.5 79.29 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.175 0 O-C-N 124.502 1.79 . . . . 0.0 111.006 -179.987 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 18.7 mmt85 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.572 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 18.4 Cg_endo -74.95 159.81 41.07 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.481 1.779 . . . . 0.0 111.002 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.423 ' CG2' ' HA ' ' A' ' 51' ' ' TYR . 2.8 t -75.32 -30.37 22.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.354 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -163.81 -117.07 0.4 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.471 1.107 . . . . 0.0 111.024 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.421 ' HA3' ' CD2' ' A' ' 49' ' ' HIS . . . 114.22 129.38 4.81 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.578 ' CE1' HD21 ' A' ' 48' ' ' LEU . 16.5 p90 -123.64 162.11 23.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 0.771 . . . . 0.0 111.016 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.3 p -74.82 156.54 36.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 109.997 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.413 ' O ' ' C ' ' A' ' 67' ' ' ARG . 54.2 mt -108.98 -36.42 6.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.2 OUTLIER -37.84 -70.44 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.308 179.929 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -90.73 53.36 3.36 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.518 1.136 . . . . 0.0 111.02 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 36.8 m -132.82 -174.96 3.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 0.76 . . . . 0.0 110.016 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.497 ' CD1' ' N ' ' A' ' 71' ' ' VAL . 3.2 tm? -155.74 154.7 31.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.497 ' N ' ' CD1' ' A' ' 70' ' ' LEU . 7.5 p -138.39 140.39 39.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.9 m -148.86 164.7 33.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.011 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -100.33 160.53 14.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.4 mt . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 109.284 -179.965 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.473 HD21 ' CG ' ' A' ' 105' ' ' GLN . 1.1 mp . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.505 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 37.9 p90 -163.2 160.28 23.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 111.023 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.75 159.4 26.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.45 HG13 ' CE2' ' A' ' 64' ' ' PHE . 59.1 t -129.51 113.73 28.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.573 HG12 ' CD2' ' A' ' 101' ' ' HIS . 12.9 mt -92.56 103.79 14.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.265 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 81.1 p -81.51 177.01 9.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.421 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.89 -19.05 10.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -89.19 15.29 9.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 51.14 23.59 1.64 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.1 . . . . 0.0 109.331 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 89.0 m -88.71 122.12 31.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.379 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.573 ' CD2' HG12 ' A' ' 95' ' ' ILE . 15.1 m170 -88.9 105.79 17.98 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.546 1.154 . . . . 0.0 109.569 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 -94.91 101.96 13.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.569 1.168 . . . . 0.0 110.99 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -77.66 121.23 23.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.934 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.505 ' HB ' ' CZ ' ' A' ' 92' ' ' PHE . 61.4 mt -126.37 166.64 22.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.498 ' O ' ' CD2' ' A' ' 24' ' ' LEU . 16.9 tt0 -121.29 148.95 43.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.327 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -112.66 157.22 21.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.02 -51.98 62.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 109.984 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -134.37 -175.96 4.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 110.012 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.19 -36.71 84.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -72.93 -51.51 18.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -45.09 -36.54 3.67 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 110.338 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.46 ' CG ' HD12 ' A' ' 116' ' ' ILE . 17.5 ttp180 -59.3 -67.88 0.33 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 110.319 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 117' ' ' GLU . . . -46.44 -45.67 18.28 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -49.51 -57.86 6.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 110.3 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' TRP . . . . . 0.534 ' CD2' ' HG2' ' A' ' 20' ' ' LYS . 72.9 m95 -59.62 -45.67 91.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 108.039 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.46 HD12 ' CG ' ' A' ' 112' ' ' ARG . 42.5 mt -56.17 -77.59 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 113' ' ' ALA . 2.2 tt0 -39.66 -41.32 1.04 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 110.307 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.472 ' HB2' ' CD1' ' A' ' 41' ' ' LEU . . . -54.24 -56.5 17.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 10.4 mt -57.04 -51.85 63.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.496 ' CG ' ' CG1' ' A' ' 71' ' ' VAL . 19.3 mttt -44.79 -36.37 3.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.132 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . 0.445 ' CG ' ' O ' ' A' ' 117' ' ' GLU . 11.3 mttt -60.64 -61.04 2.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.293 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.426 HD11 ' CB ' ' A' ' 46' ' ' ALA . 0.8 OUTLIER -47.39 -58.84 3.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.112 . . . . 0.0 109.271 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 43.1 p . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.438 179.993 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.483 ' O ' ' CG ' ' A' ' 45' ' ' PRO . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.426 ' N ' HG23 ' A' ' 12' ' ' VAL . 43.9 mt-10 -55.69 -43.52 76.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.323 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.559 HD22 ' CD2' ' A' ' 49' ' ' HIS . 0.9 OUTLIER -84.38 -13.29 52.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 9.4 t -81.63 62.35 5.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.437 1.086 . . . . 0.0 109.996 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.404 ' HA2' ' O ' ' A' ' 44' ' ' ASP . . . -141.55 170.47 24.74 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.526 1.141 . . . . 0.0 110.98 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.474 ' CB ' ' HD3' ' A' ' 43' ' ' LYS . 6.6 m -76.84 144.33 39.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 0.769 . . . . 0.0 110.369 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.1 t -80.43 128.59 38.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.289 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.497 ' CG1' ' HD2' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -111.31 -43.45 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.315 179.928 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.536 ' HG2' ' CD2' ' A' ' 115' ' ' TRP . 4.3 tptt -144.96 140.52 28.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 -145.23 148.95 34.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.433 1.083 . . . . 0.0 110.302 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 162.85 -160.15 32.57 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.446 1.091 . . . . 0.0 110.993 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.554 ' CE2' ' HB2' ' A' ' 38' ' ' ARG . 68.9 m-85 -119.77 121.5 39.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 0.762 . . . . 0.0 111.015 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.558 ' HB2' ' CD1' ' A' ' 39' ' ' PHE . 39.6 mt -114.18 169.45 9.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -118.5 106.35 12.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 109.25 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 60.8 tttt -88.67 113.98 24.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.516 ' HB2' ' CE2' ' A' ' 34' ' ' TRP . 42.7 tt0 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 110.268 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.516 ' CE2' ' HB2' ' A' ' 27' ' ' GLN . 24.6 m95 . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.93 136.85 53.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.279 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.4 t -82.61 139.43 17.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.5 ttp180 -149.9 149.3 30.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.291 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.554 ' HB2' ' CE2' ' A' ' 23' ' ' TYR . 9.9 ttp180 -78.67 102.91 8.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.436 1.085 . . . . 0.0 110.351 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.558 ' CD1' ' HB2' ' A' ' 24' ' ' LEU . 16.2 m-85 -95.83 140.41 30.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 111.039 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.0 p -123.48 137.93 55.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.429 ' N ' ' O ' ' A' ' 20' ' ' LYS . 0.7 OUTLIER -112.28 114.77 27.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.446 ' NH1' ' O ' ' A' ' 14' ' ' LEU . 1.7 mtt180 -117.22 150.28 39.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.329 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.497 ' HD2' ' CG1' ' A' ' 19' ' ' VAL . 0.0 OUTLIER -124.77 154.25 41.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.44 ' N ' ' C ' ' A' ' 45' ' ' PRO . 1.2 t70 41.33 79.8 0.31 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.265 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.483 ' CG ' ' O ' ' A' ' 12' ' ' VAL . 18.4 Cg_endo -74.97 170.33 72.12 Favored 'Cis proline' 0 C--N 1.36 1.174 0 C-N-CA 120.979 -2.509 . . . . 0.0 111.026 -0.049 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.422 ' O ' ' CD1' ' A' ' 47' ' ' PHE . . . -95.13 106.7 18.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 109.258 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.422 ' CD1' ' O ' ' A' ' 46' ' ' ALA . 45.5 m-85 -152.34 178.38 9.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.984 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.559 HD21 ' CE1' ' A' ' 64' ' ' PHE . 10.0 tp -151.96 119.57 6.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.559 ' CD2' HD22 ' A' ' 14' ' ' LEU . 65.5 m80 -125.09 163.8 21.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 109.587 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.612 ' C ' ' CD1' ' A' ' 51' ' ' TYR . 1.8 p90 -139.55 -177.39 4.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.964 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.612 ' CD1' ' C ' ' A' ' 50' ' ' TYR . 32.3 m-85 -158.71 146.16 17.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 111.003 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 62.8 t0 -78.53 123.86 85.5 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.166 0 O-C-N 124.521 1.801 . . . . 0.0 111.009 -179.979 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 41.2 mmt-85 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.364 -0.235 . . . . 0.0 110.364 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.548 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 18.3 Cg_endo -74.97 162.51 37.06 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.537 1.809 . . . . 0.0 111.047 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.462 ' CG2' ' HA ' ' A' ' 51' ' ' TYR . 2.1 t -70.88 -28.1 32.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -167.92 -118.22 0.43 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.457 1.098 . . . . 0.0 111.038 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.498 ' HA3' ' CD2' ' A' ' 49' ' ' HIS . . . 113.27 134.19 5.97 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.559 ' CE1' HD21 ' A' ' 48' ' ' LEU . 11.3 p90 -128.38 161.87 28.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 0.752 . . . . 0.0 110.996 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -75.91 150.44 37.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.987 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 67' ' ' ARG . 29.1 mt -102.67 -32.32 9.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 109.29 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -38.25 -57.91 1.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 110.297 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -102.87 42.92 1.78 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.479 1.112 . . . . 0.0 110.989 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.6 p -121.31 -174.37 2.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 0.775 . . . . 0.0 110.013 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 95' ' ' ILE . 0.8 OUTLIER -155.26 168.52 26.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.567 ' CG1' ' HG3' ' A' ' 120' ' ' LYS . 8.1 p -153.44 145.49 14.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.327 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.411 ' N ' HG23 ' A' ' 71' ' ' VAL . 13.7 m -161.63 160.81 29.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.991 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -93.9 135.78 34.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.569 HD21 ' CE2' ' A' ' 103' ' ' TYR . 1.6 mt . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.132 . . . . 0.0 109.25 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.421 ' HB2' ' CD1' ' A' ' 74' ' ' LEU . 1.9 mp . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.561 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 27.8 p90 -151.71 165.51 34.15 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.135 . . . . 0.0 110.965 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.411 ' HE3' ' CG1' ' A' ' 95' ' ' ILE . 0.0 OUTLIER -121.86 166.75 13.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 76.6 t -132.6 100.7 4.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.266 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.488 HG12 ' CG ' ' A' ' 101' ' ' HIS . 40.7 mt -85.54 117.54 30.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.125 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 44.0 p -88.69 -166.65 1.65 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.575 1.172 . . . . 0.0 110.439 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.05 -9.71 59.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 0.0 109.308 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -100.6 4.3 43.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.488 ' C ' ' CD2' ' A' ' 101' ' ' HIS . 1.8 t70 56.38 36.6 27.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.272 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.542 HG21 ' CE2' ' A' ' 102' ' ' TYR . 50.2 m -70.09 -57.38 5.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 110.43 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.488 ' CD2' ' C ' ' A' ' 99' ' ' ASP . 4.0 m170 79.88 94.93 0.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.097 . . . . 0.0 109.573 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.542 ' CE2' HG21 ' A' ' 100' ' ' THR . 59.6 m-85 -103.21 115.34 30.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 110.998 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . 0.569 ' CE2' HD21 ' A' ' 74' ' ' LEU . 3.5 m-85 -81.19 114.57 20.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 111.021 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.561 ' HB ' ' CZ ' ' A' ' 92' ' ' PHE . 66.2 mt -117.48 165.19 13.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.442 ' N ' ' CG2' ' A' ' 104' ' ' ILE . 66.0 tt0 -121.15 158.52 27.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.281 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.457 ' HA ' ' CD2' ' A' ' 24' ' ' LEU . . . -114.45 151.12 33.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.294 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 42.9 t -52.32 -48.68 65.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 110.005 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.4 156.43 47.6 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 109.988 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.43 -38.94 0.9 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -68.87 -58.8 3.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . 0.464 ' HG3' ' CD1' ' A' ' 115' ' ' TRP . 0.8 OUTLIER -39.17 -39.36 0.59 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.322 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.436 ' HA ' ' CB ' ' A' ' 106' ' ' ALA . 16.2 ttp180 -56.42 -70.94 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 110.293 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -41.0 -49.68 3.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.289 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 38.5 mm-40 -58.17 -59.4 5.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 110.293 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' TRP . . . . . 0.536 ' CD2' ' HG2' ' A' ' 20' ' ' LYS . 40.1 m95 -49.5 -36.29 22.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.122 . . . . 0.0 108.025 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.465 ' CG2' ' HE2' ' A' ' 120' ' ' LYS . 86.2 mt -71.46 -74.49 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 116' ' ' ILE . 2.5 tt0 -34.92 -42.82 0.17 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.276 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -56.8 -64.39 0.89 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 0.0 109.314 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.46 HG23 ' CG1' ' A' ' 71' ' ' VAL . 89.9 mt -42.52 -61.08 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.544 1.152 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.567 ' HG3' ' CG1' ' A' ' 71' ' ' VAL . 1.6 mptp? -37.53 -54.03 1.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.333 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 11.4 mttt -42.82 -57.29 2.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.77 -56.19 15.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 80.9 p . . . . . 0 C--N 1.326 -0.429 0 O-C-N 124.478 1.111 . . . . 0.0 110.377 179.989 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.418 HG22 ' N ' ' A' ' 13' ' ' GLU . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.573 ' HG2' ' CE2' ' A' ' 47' ' ' PHE . 42.1 mt-10 -61.06 -40.94 95.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.314 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.558 HD22 ' CE1' ' A' ' 49' ' ' HIS . 3.2 mt -84.21 4.67 29.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 10.2 t -106.09 62.79 0.66 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.981 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -134.12 169.61 22.89 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.481 1.113 . . . . 0.0 111.041 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 43' ' ' LYS . 1.8 m -79.03 123.4 27.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 0.761 . . . . 0.0 110.405 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.424 ' CG1' ' HG3' ' A' ' 21' ' ' GLN . 2.2 t -60.1 124.13 13.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.241 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -110.49 -26.52 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 109.291 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.533 ' HG2' ' CD2' ' A' ' 115' ' ' TRP . 2.6 tptt -158.77 140.94 13.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.424 ' HG3' ' CG1' ' A' ' 18' ' ' VAL . 20.6 mt-30 -146.55 145.2 30.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 110.306 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 163.45 -167.04 37.5 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.503 1.127 . . . . 0.0 111.009 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.508 ' CZ ' ' HD3' ' A' ' 38' ' ' ARG . 27.4 m-85 -115.15 121.36 42.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 0.775 . . . . 0.0 111.004 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.46 HD23 ' CD1' ' A' ' 115' ' ' TRP . 60.0 mt -116.91 167.12 11.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -113.13 124.86 53.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 44.1 tttm -109.44 131.7 54.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.511 ' HB2' ' CE2' ' A' ' 34' ' ' TRP . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.266 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.511 ' CE2' ' HB2' ' A' ' 27' ' ' GLN . 17.0 m0 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.25 129.76 52.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -76.96 115.82 19.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 0.0 109.368 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.497 ' NH1' ' CD1' ' A' ' 50' ' ' TYR . 0.0 OUTLIER -122.43 148.51 45.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.249 -179.945 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.508 ' HD3' ' CZ ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -82.12 103.91 12.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 110.289 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.443 ' CD1' ' HB2' ' A' ' 24' ' ' LEU . 20.1 m-85 -96.89 138.9 33.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.988 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.6 p -124.35 139.08 51.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.336 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.432 ' CD2' HD23 ' A' ' 122' ' ' LEU . 0.8 OUTLIER -115.59 132.5 56.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.408 ' NH1' HD21 ' A' ' 14' ' ' LEU . 10.8 mtt180 -131.74 167.41 19.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 110.302 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 17' ' ' THR . 0.5 OUTLIER -142.17 141.2 32.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 109.301 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.491 ' N ' ' C ' ' A' ' 45' ' ' PRO . 9.1 t0 51.36 77.24 0.47 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.491 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.3 Cg_endo -74.98 169.62 74.05 Favored 'Cis proline' 0 C--N 1.36 1.165 0 C-N-CA 120.98 -2.508 . . . . 0.0 111.028 -0.014 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.416 ' HB1' ' CG ' ' A' ' 122' ' ' LEU . . . -98.85 100.54 11.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.573 ' CE2' ' HG2' ' A' ' 13' ' ' GLU . 13.6 m-85 -144.68 167.76 21.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 111.0 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.518 HD21 ' CZ ' ' A' ' 64' ' ' PHE . 11.7 tp -141.46 114.56 8.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 109.33 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.558 ' CE1' HD22 ' A' ' 14' ' ' LEU . 53.7 m80 -117.81 156.54 28.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.589 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.497 ' CD1' ' NH1' ' A' ' 37' ' ' ARG . 24.5 p90 -141.09 140.92 34.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 111.014 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.488 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 28.8 m-85 -112.93 158.3 20.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 110.969 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.577 ' N ' ' CG2' ' A' ' 61' ' ' VAL . 1.1 p30 -97.74 123.84 50.35 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.175 0 O-C-N 124.489 1.784 . . . . 0.0 111.015 179.978 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 23.3 mmt85 . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 110.257 -0.275 . . . . 0.0 110.257 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.488 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 18.3 Cg_endo -74.98 170.5 20.28 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.494 1.786 . . . . 0.0 110.981 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.577 ' CG2' ' N ' ' A' ' 52' ' ' ASP . 0.3 OUTLIER -87.13 -20.19 7.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.442 1.089 . . . . 0.0 109.316 179.93 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -171.86 -137.62 2.37 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.507 1.129 . . . . 0.0 110.983 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 134.55 121.9 2.2 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.518 ' CZ ' HD21 ' A' ' 48' ' ' LEU . 1.9 p90 -116.9 163.25 16.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 0.768 . . . . 0.0 110.999 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 12.1 p -73.52 153.84 40.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.108 . . . . 0.0 110.03 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 99.3 mt -108.81 -42.37 4.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.38 -32.21 7.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 110.283 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -117.55 49.33 0.87 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.475 1.109 . . . . 0.0 110.968 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 26.2 m -145.67 -174.7 4.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 0.75 . . . . 0.0 110.036 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.46 ' N ' ' O ' ' A' ' 95' ' ' ILE . 0.7 OUTLIER -152.9 169.33 23.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.16 . . . . 0.0 109.287 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.482 ' CG1' ' HG2' ' A' ' 120' ' ' LYS . 11.3 p -147.52 149.09 15.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.329 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.5 m -160.55 167.07 27.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.992 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -93.63 161.74 14.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.443 HD11 ' CD2' ' A' ' 103' ' ' TYR . 12.8 mt . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.2 mt . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.563 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 20.3 p90 -173.73 145.27 1.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 111.007 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.468 ' CD ' HG13 ' A' ' 95' ' ' ILE . 0.0 OUTLIER -106.67 167.06 10.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 109.298 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 71.0 t -135.71 106.21 5.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 0.0 109.253 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.522 HG12 ' CD2' ' A' ' 101' ' ' HIS . 51.6 mt -85.15 109.27 17.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.158 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 7.3 p -87.58 177.34 7.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.412 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 6.3 tttt -58.57 -24.86 61.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.309 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -84.86 7.35 21.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.276 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 44.8 42.45 6.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 2.7 m -82.33 -49.08 10.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.579 1.174 . . . . 0.0 110.38 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.522 ' CD2' HG12 ' A' ' 95' ' ' ILE . 4.2 m170 79.08 92.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 109.591 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 45.2 m-85 -94.12 126.77 39.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 111.023 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . 0.443 ' CD2' HD11 ' A' ' 74' ' ' LEU . 5.2 m-85 -89.85 127.53 36.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 110.992 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.563 ' HB ' ' CZ ' ' A' ' 92' ' ' PHE . 60.0 mt -134.67 161.19 40.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.275 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.417 ' N ' ' CG2' ' A' ' 104' ' ' ILE . 3.5 tp60 -119.62 151.68 38.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.309 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.478 ' CB ' ' HB2' ' A' ' 112' ' ' ARG . . . -106.0 153.55 21.86 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 109.365 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.18 -44.83 90.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.04 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -133.28 166.61 22.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.999 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 2.9 mptt -56.12 -26.15 48.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.112 . . . . 0.0 109.285 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -84.17 -52.88 5.91 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 0.0 109.265 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . 0.447 ' HG3' ' CD1' ' A' ' 115' ' ' TRP . 0.7 OUTLIER -39.83 -40.85 1.04 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.271 -179.933 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.478 ' HB2' ' CB ' ' A' ' 106' ' ' ALA . 2.7 ttp180 -60.57 -72.9 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.31 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -41.42 -33.22 0.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -74.17 -50.51 18.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.309 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' TRP . . . . . 0.533 ' CD2' ' HG2' ' A' ' 20' ' ' LYS . 58.7 m95 -62.93 -24.02 67.66 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.431 ' CG2' ' HE2' ' A' ' 120' ' ' LYS . 63.5 mt -79.85 -77.1 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 116' ' ' ILE . 2.1 tt0 -37.74 -43.23 0.64 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 110.274 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.81 -59.07 5.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 109.323 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 35.8 mt -50.45 -56.69 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 0.0 109.275 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.482 ' HG2' ' CG1' ' A' ' 71' ' ' VAL . 18.1 mttt -40.85 -51.85 3.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 13.3 mttt -42.26 -60.31 1.51 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.432 HD23 ' CD2' ' A' ' 41' ' ' LEU . 0.3 OUTLIER -52.75 -53.8 42.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.32 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 22.0 p . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.411 179.958 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.406 ' CG1' ' H ' ' A' ' 13' ' ' GLU . 2.4 p . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.554 ' HB3' ' CD2' ' A' ' 47' ' ' PHE . 2.9 mt-10 -83.2 -25.84 31.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.275 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.451 HD13 ' CE1' ' A' ' 49' ' ' HIS . 6.1 mp -83.19 -1.42 52.96 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.35 53.61 2.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.561 1.163 . . . . 0.0 110.083 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -129.01 151.03 18.98 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.506 1.129 . . . . 0.0 110.996 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.446 ' N ' ' O ' ' A' ' 43' ' ' LYS . 1.2 m -68.69 118.9 12.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 0.762 . . . . 0.0 110.432 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.2 t -47.69 121.86 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -109.94 -18.99 7.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.544 ' HG2' ' CD2' ' A' ' 115' ' ' TRP . 3.5 tptt -168.95 140.26 2.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.336 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -142.19 150.27 40.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.456 1.098 . . . . 0.0 110.305 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 159.35 -179.59 34.84 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.525 1.141 . . . . 0.0 111.023 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.431 ' CZ ' ' HD3' ' A' ' 38' ' ' ARG . 53.0 m-85 -111.16 122.77 48.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 0.76 . . . . 0.0 110.992 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.442 ' HB2' ' CD1' ' A' ' 39' ' ' PHE . 9.1 mt -117.28 172.09 7.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -120.25 106.99 12.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.312 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -76.29 148.43 37.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.519 ' HG3' ' CE2' ' A' ' 34' ' ' TRP . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.234 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.519 ' CE2' ' HG3' ' A' ' 27' ' ' GLN . 93.4 m95 . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.46 118.69 26.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.9 t -57.01 130.74 20.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -142.71 148.85 37.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 110.312 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.431 ' HD3' ' CZ ' ' A' ' 23' ' ' TYR . 0.5 OUTLIER -81.23 102.92 10.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 110.282 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.442 ' CD1' ' HB2' ' A' ' 24' ' ' LEU . 24.5 m-85 -96.92 127.9 43.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 0.0 110.977 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.432 ' O ' ' CD1' ' A' ' 48' ' ' LEU . 7.5 p -114.86 141.06 32.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.481 HD11 ' CE3' ' A' ' 115' ' ' TRP . 0.4 OUTLIER -118.47 126.78 52.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.4 ' NH1' ' O ' ' A' ' 14' ' ' LEU . 49.1 mtt-85 -125.93 164.75 20.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.124 . . . . 0.0 110.305 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 17' ' ' THR . 1.6 pttt -138.93 145.57 39.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.16 . . . . 0.0 109.287 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.486 ' N ' ' C ' ' A' ' 45' ' ' PRO . 0.7 OUTLIER 48.98 77.51 0.46 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.357 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.486 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.2 Cg_endo -75.08 170.64 71.31 Favored 'Cis proline' 0 C--N 1.36 1.169 0 C-N-CA 120.996 -2.502 . . . . 0.0 110.958 0.127 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.451 ' CB ' HD11 ' A' ' 122' ' ' LEU . . . -96.59 94.98 7.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.554 ' CD2' ' HB3' ' A' ' 13' ' ' GLU . 12.7 m-85 -141.71 157.41 45.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 111.024 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.543 HD23 ' CZ ' ' A' ' 64' ' ' PHE . 6.6 tp -130.38 113.91 14.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.467 ' CD2' ' HA3' ' A' ' 63' ' ' GLY . 71.4 m80 -115.47 161.95 17.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.647 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.407 ' CE2' ' HB ' ' A' ' 61' ' ' VAL . 26.3 p90 -145.93 144.46 30.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.462 1.102 . . . . 0.0 111.01 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.513 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 12.3 m-85 -120.39 148.5 43.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 111.031 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 47.7 t0 -81.24 122.5 81.4 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.182 0 O-C-N 124.514 1.797 . . . . 0.0 111.03 179.981 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.513 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 18.3 Cg_endo -74.99 174.38 12.88 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.523 1.802 . . . . 0.0 111.012 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.468 ' CG2' ' HA ' ' A' ' 51' ' ' TYR . 1.8 t -92.63 -24.13 5.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -164.51 -119.52 0.48 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.519 1.137 . . . . 0.0 110.987 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.467 ' HA3' ' CD2' ' A' ' 49' ' ' HIS . . . 116.92 123.93 3.49 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.543 ' CZ ' HD23 ' A' ' 48' ' ' LEU . 1.6 p90 -120.54 157.25 29.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 0.766 . . . . 0.0 111.017 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.423 ' O ' ' OG ' ' A' ' 69' ' ' SER . 5.0 p -69.17 149.0 49.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.983 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.416 ' O ' ' C ' ' A' ' 67' ' ' ARG . 37.8 mt -99.6 -46.63 5.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -36.97 -54.96 0.94 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.516 1.135 . . . . 0.0 110.3 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -99.74 56.56 0.86 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.511 1.132 . . . . 0.0 110.999 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.423 ' OG ' ' O ' ' A' ' 65' ' ' SER . 4.8 m -140.49 -177.92 5.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 0.74 . . . . 0.0 109.967 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.542 ' CD1' ' N ' ' A' ' 71' ' ' VAL . 3.2 tm? -155.89 153.23 29.34 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.554 1.159 . . . . 0.0 109.329 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.542 ' N ' ' CD1' ' A' ' 70' ' ' LEU . 14.7 p -141.1 143.45 28.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.9 m -158.89 163.63 36.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.996 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -96.03 152.08 18.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.117 . . . . 0.0 109.305 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.535 ' CD2' ' CZ ' ' A' ' 103' ' ' TYR . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.447 1.092 . . . . 0.0 109.264 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.564 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 23.3 p90 -161.59 173.37 14.87 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.484 1.115 . . . . 0.0 111.009 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.441 ' HE2' ' CG1' ' A' ' 95' ' ' ILE . 0.0 OUTLIER -130.11 154.73 47.19 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 91.4 t -123.33 102.71 11.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.142 . . . . 0.0 109.294 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.57 HG12 ' CD2' ' A' ' 101' ' ' HIS . 25.2 mt -86.12 106.25 15.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.429 HG23 ' CE2' ' A' ' 102' ' ' TYR . 27.2 p -83.94 175.19 9.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 110.378 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 3.2 tttp -59.38 -15.76 18.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.404 ' C ' ' CG ' ' A' ' 99' ' ' ASP . 0.3 OUTLIER -88.67 19.53 3.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.404 ' CG ' ' C ' ' A' ' 98' ' ' ASP . 0.1 OUTLIER 48.22 25.96 0.96 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.283 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.568 HG22 ' CE2' ' A' ' 102' ' ' TYR . 91.6 m -96.23 121.87 38.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 110.386 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.57 ' CD2' HG12 ' A' ' 95' ' ' ILE . 13.6 m170 -90.43 108.21 19.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.602 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.568 ' CE2' HG22 ' A' ' 100' ' ' THR . 54.6 m-85 -100.3 102.63 13.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.968 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . 0.535 ' CZ ' ' CD2' ' A' ' 74' ' ' LEU . 3.2 m-85 -75.53 127.02 32.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.998 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.564 ' HB ' ' CZ ' ' A' ' 92' ' ' PHE . 53.4 mt -125.41 162.3 28.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.45 ' N ' ' CG2' ' A' ' 104' ' ' ILE . 4.9 tt0 -123.47 128.3 49.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 110.332 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.442 ' HA ' ' CD2' ' A' ' 24' ' ' LEU . . . -81.57 169.12 17.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.131 . . . . 0.0 109.336 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 10.5 t -83.18 -46.83 12.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 110.045 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -127.96 174.13 9.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.012 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.79 -59.02 5.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 111' ' ' GLU . . . -54.85 -54.19 45.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . 0.467 ' HG3' ' CD1' ' A' ' 115' ' ' TRP . 0.0 OUTLIER -38.06 -41.5 0.58 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.442 1.089 . . . . 0.0 110.303 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.523 ' CD ' HD13 ' A' ' 116' ' ' ILE . 0.0 OUTLIER -52.61 -71.12 0.07 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 0.0 110.298 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.521 ' N ' HH11 ' A' ' 112' ' ' ARG . . . -55.04 -43.89 74.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.418 1.074 . . . . 0.0 109.292 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.444 ' OE1' ' NZ ' ' A' ' 20' ' ' LYS . 6.7 mt-10 -47.81 -63.33 1.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.14 . . . . 0.0 110.301 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' TRP . . . . . 0.544 ' CD2' ' HG2' ' A' ' 20' ' ' LYS . 80.7 m95 -54.17 -43.66 70.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 108.015 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.523 HD13 ' CD ' ' A' ' 112' ' ' ARG . 35.3 mt -55.27 -78.34 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -39.67 -48.46 2.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 110.296 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.463 ' HB1' ' CD1' ' A' ' 41' ' ' LEU . . . -45.66 -59.58 2.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.478 HG22 ' CG1' ' A' ' 71' ' ' VAL . 5.6 mt -55.48 -42.69 69.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.524 ' HG2' ' CG1' ' A' ' 71' ' ' VAL . 18.9 mttt -58.52 -47.68 83.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 22.8 mttt -49.95 -60.68 2.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.451 HD11 ' CB ' ' A' ' 46' ' ' ALA . 1.1 mm? -47.55 -57.82 4.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 26.0 p . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 110.371 -179.952 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.405 ' CG1' ' H ' ' A' ' 13' ' ' GLU . 2.7 p . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.529 ' HG2' ' CE2' ' A' ' 47' ' ' PHE . 55.2 mt-10 -58.11 -49.37 77.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 110.305 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.553 ' CD1' ' CG ' ' A' ' 49' ' ' HIS . 1.6 mm? -81.67 -1.28 46.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.49 63.84 3.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 110.005 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.473 ' CA ' ' HD2' ' A' ' 45' ' ' PRO . . . -138.2 161.52 25.61 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.504 1.127 . . . . 0.0 110.949 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 33.5 m -68.16 114.11 6.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 0.781 . . . . 0.0 110.359 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.2 t -67.24 115.45 5.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.471 ' CG1' ' HE2' ' A' ' 43' ' ' LYS . 0.3 OUTLIER -102.22 -30.58 3.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.546 ' HG2' ' CD2' ' A' ' 115' ' ' TRP . 8.4 tptt -144.87 146.05 31.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -167.12 129.47 1.7 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.105 . . . . 0.0 110.276 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -169.54 -146.27 4.99 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.466 1.104 . . . . 0.0 110.981 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.543 ' CE1' ' HD3' ' A' ' 38' ' ' ARG . 57.7 m-85 -127.8 109.85 12.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 0.777 . . . . 0.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.486 ' HB2' ' CD1' ' A' ' 39' ' ' PHE . 26.0 mt -105.63 171.46 7.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -124.29 102.06 7.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 29.2 tttt -87.29 119.88 28.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.332 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 46.8 m95 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 11.4 mmtt -94.06 130.32 40.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.8 t -78.32 131.12 35.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 109.339 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -138.05 156.53 47.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.298 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.543 ' HD3' ' CE1' ' A' ' 23' ' ' TYR . 1.2 ttp180 -91.35 102.93 15.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.56 1.163 . . . . 0.0 110.321 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.486 ' CD1' ' HB2' ' A' ' 24' ' ' LEU . 23.6 m-85 -96.29 141.42 29.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 111.015 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.472 ' O ' ' CD1' ' A' ' 48' ' ' LEU . 5.4 p -124.51 139.47 50.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.548 ' HB2' ' CZ3' ' A' ' 115' ' ' TRP . 0.0 OUTLIER -114.81 118.5 33.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 109.341 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.416 ' N ' HD21 ' A' ' 41' ' ' LEU . 5.4 mtt-85 -117.51 150.63 38.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 110.268 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.471 ' HE2' ' CG1' ' A' ' 19' ' ' VAL . 0.5 OUTLIER -130.06 148.64 51.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.569 1.168 . . . . 0.0 109.294 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.465 ' N ' ' C ' ' A' ' 45' ' ' PRO . 19.4 t0 40.7 78.96 0.34 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.473 ' HD2' ' CA ' ' A' ' 16' ' ' GLY . 18.2 Cg_endo -75.0 165.47 85.84 Favored 'Cis proline' 0 C--N 1.359 1.12 0 C-N-CA 120.979 -2.509 . . . . 0.0 111.015 -0.035 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.457 ' CB ' HD13 ' A' ' 122' ' ' LEU . . . -93.39 113.36 25.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.529 ' CE2' ' HG2' ' A' ' 13' ' ' GLU . 2.0 m-85 -157.08 157.22 34.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 111.039 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.472 ' CD1' ' O ' ' A' ' 40' ' ' VAL . 23.8 tp -133.47 113.38 12.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.553 ' CG ' ' CD1' ' A' ' 14' ' ' LEU . 73.1 m80 -120.05 166.38 13.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 109.626 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.447 ' O ' ' CD1' ' A' ' 50' ' ' TYR . 21.4 p90 -154.9 141.78 19.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 111.001 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.565 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 4.7 m-85 -117.06 163.62 15.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 111.014 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -91.57 122.92 65.05 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 109.286 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.184 0 O-C-N 124.452 1.764 . . . . 0.0 110.997 180.0 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.453 ' CG ' ' HD2' ' A' ' 60' ' ' PRO . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.565 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 18.2 Cg_endo -75.07 158.14 42.09 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.499 1.789 . . . . 0.0 110.996 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.437 ' CG2' ' HA ' ' A' ' 51' ' ' TYR . 3.9 t -75.21 -31.26 24.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -161.95 -115.58 0.36 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.477 1.111 . . . . 0.0 111.024 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 101.31 126.3 5.8 Favored Glycine 0 CA--C 1.531 1.041 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.412 ' CD1' ' N ' ' A' ' 64' ' ' PHE . 0.1 OUTLIER -110.89 -176.94 3.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 0.782 . . . . 0.0 111.003 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 66.8 m -88.68 161.2 16.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 110.018 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.405 ' O ' ' C ' ' A' ' 67' ' ' ARG . 72.3 mt -110.61 -38.43 5.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.9 OUTLIER -38.41 -64.01 0.46 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 110.317 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -99.4 48.18 1.29 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.495 1.122 . . . . 0.0 111.006 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 7.0 p -123.47 -173.08 2.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 0.772 . . . . 0.0 109.981 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -156.23 167.95 28.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.345 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.488 ' CG1' ' HG2' ' A' ' 120' ' ' LYS . 7.3 p -153.0 143.04 14.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.554 1.159 . . . . 0.0 109.295 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 37.6 m -158.81 156.51 29.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.972 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -92.81 153.04 19.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.336 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.449 ' CD1' ' HB2' ' A' ' 91' ' ' LEU . 2.2 mt . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.449 ' HB2' ' CD1' ' A' ' 74' ' ' LEU . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 12.8 p90 -153.95 167.99 27.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 110.935 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.98 167.4 19.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.328 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 67.3 t -126.73 107.34 16.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.569 HG12 ' CD2' ' A' ' 101' ' ' HIS . 84.5 mt -89.2 111.62 23.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 0.0 109.272 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 69.1 p -81.71 -178.1 6.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.394 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.75 -9.65 51.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -105.15 19.37 20.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.443 ' C ' ' CD2' ' A' ' 101' ' ' HIS . 0.7 OUTLIER 43.8 42.78 4.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 109.288 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.448 HG22 ' CZ ' ' A' ' 102' ' ' TYR . 54.6 m -71.23 -57.4 4.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 110.411 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.569 ' CD2' HG12 ' A' ' 95' ' ' ILE . 4.8 m170 78.47 88.7 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.564 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.448 ' CZ ' HG22 ' A' ' 100' ' ' THR . 51.2 m-85 -98.16 115.32 28.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 111.016 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -79.57 125.09 29.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.989 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.402 ' CG2' ' N ' ' A' ' 105' ' ' GLN . 74.6 mt -133.2 161.92 40.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.113 . . . . 0.0 109.27 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.402 ' N ' ' CG2' ' A' ' 104' ' ' ILE . 40.6 tt0 -122.31 150.12 42.8 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.514 1.134 . . . . 0.0 110.314 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.462 ' HA ' ' CD2' ' A' ' 24' ' ' LEU . . . -101.65 162.44 12.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 35.3 t -67.43 -44.25 79.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 109.992 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 11.2 p -132.14 167.24 20.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.006 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -56.55 -34.85 67.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -76.11 -50.25 15.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -42.4 -36.31 1.26 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.316 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.416 ' CG ' HD13 ' A' ' 116' ' ' ILE . 8.1 ttp180 -61.29 -70.82 0.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 110.259 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -43.9 -41.56 5.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -63.68 -57.45 10.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 110.309 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' TRP . . . . . 0.548 ' CZ3' ' HB2' ' A' ' 41' ' ' LEU . 41.6 m95 -53.29 -35.06 59.7 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.45 ' O ' ' C ' ' A' ' 117' ' ' GLU . 82.8 mt -70.56 -76.43 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 116' ' ' ILE . 2.7 tt0 -33.95 -45.79 0.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.335 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -52.15 -68.06 0.2 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.495 1.122 . . . . 0.0 109.347 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 13.4 mt -41.72 -58.03 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.488 ' HG2' ' CG1' ' A' ' 71' ' ' VAL . 17.2 mttt -40.76 -52.84 2.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.339 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 17.9 mttt -43.89 -60.04 2.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 109.268 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.457 HD13 ' CB ' ' A' ' 46' ' ' ALA . 2.2 mm? -51.11 -55.24 18.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 69.8 p . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 110.42 -179.994 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.414 ' CG1' ' H ' ' A' ' 13' ' ' GLU . 2.6 p . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.585 ' CD ' ' CE2' ' A' ' 47' ' ' PHE . 2.3 mm-40 -65.98 -42.98 89.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 110.315 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.566 HD21 ' CD2' ' A' ' 49' ' ' HIS . 0.6 OUTLIER -87.82 12.03 14.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.301 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.421 ' O ' ' CD ' ' A' ' 45' ' ' PRO . 0.3 OUTLIER -101.8 62.2 0.9 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 110.056 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -136.71 161.58 25.08 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.515 1.134 . . . . 0.0 110.983 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.425 ' O ' ' N ' ' A' ' 43' ' ' LYS . 3.1 m -67.41 125.98 27.84 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.513 0.772 . . . . 0.0 110.397 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.441 ' CG2' ' NH1' ' A' ' 42' ' ' ARG . 2.1 t -64.38 123.06 16.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.462 ' CG1' ' HE2' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -110.32 -28.26 2.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.519 ' HG2' ' CD2' ' A' ' 115' ' ' TRP . 5.2 tptt -156.33 142.02 17.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.346 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -148.06 150.63 34.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.277 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 158.63 -161.4 31.77 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.473 1.108 . . . . 0.0 110.996 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.47 ' CE2' ' HB2' ' A' ' 38' ' ' ARG . 61.5 m-85 -121.04 121.39 37.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 0.761 . . . . 0.0 110.998 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.573 ' HB2' ' CD1' ' A' ' 39' ' ' PHE . 41.0 mt -112.59 169.36 8.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.56 1.162 . . . . 0.0 109.263 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -121.14 104.52 9.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 109.286 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 9.6 tttt -92.46 135.8 33.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.295 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.297 179.999 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.51 ' CH2' HD23 ' A' ' 91' ' ' LEU . 11.7 m95 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.66 133.63 55.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.095 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.6 t -80.89 128.28 38.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.432 1.082 . . . . 0.0 109.271 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.1 ttp180 -136.14 139.39 42.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 110.27 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.47 ' HB2' ' CE2' ' A' ' 23' ' ' TYR . 1.7 ttp85 -74.18 104.41 4.96 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.509 1.131 . . . . 0.0 110.317 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.573 ' CD1' ' HB2' ' A' ' 24' ' ' LEU . 8.7 m-85 -95.77 143.25 27.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.967 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.3 p -126.52 135.79 62.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.108 . . . . 0.0 109.32 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.445 ' CB ' ' HB3' ' A' ' 20' ' ' LYS . 0.5 OUTLIER -114.29 124.03 50.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.137 . . . . 0.0 109.34 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.441 ' NH1' ' CG2' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -128.27 164.67 22.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 110.291 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.462 ' HE2' ' CG1' ' A' ' 19' ' ' VAL . 2.0 pttt -137.96 141.06 40.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.469 ' N ' ' O ' ' A' ' 45' ' ' PRO . 9.1 t70 52.97 78.46 0.39 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.322 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.469 ' O ' ' N ' ' A' ' 44' ' ' ASP . 18.2 Cg_endo -75.04 173.13 59.52 Favored 'Cis proline' 0 C--N 1.359 1.129 0 C-N-CA 120.991 -2.504 . . . . 0.0 110.953 0.043 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.504 ' HB1' ' CD1' ' A' ' 122' ' ' LEU . . . -101.04 99.81 10.32 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.411 1.069 . . . . 0.0 109.326 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.585 ' CE2' ' CD ' ' A' ' 13' ' ' GLU . 8.6 m-85 -149.17 152.0 35.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.132 . . . . 0.0 111.004 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.433 HD23 ' CZ ' ' A' ' 64' ' ' PHE . 10.5 tp -127.27 114.06 17.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.247 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.566 ' CD2' HD21 ' A' ' 14' ' ' LEU . 58.4 m80 -115.63 164.2 14.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.584 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.629 ' C ' ' CD1' ' A' ' 51' ' ' TYR . 1.5 p90 -137.45 175.67 9.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.951 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.629 ' CD1' ' C ' ' A' ' 50' ' ' TYR . 26.4 m-85 -155.53 135.48 12.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 110.949 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -77.57 123.23 86.7 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.161 0 O-C-N 124.549 1.815 . . . . 0.0 111.004 179.989 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 5.7 mtp180 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.592 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 18.2 Cg_endo -74.98 157.45 42.84 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.507 1.793 . . . . 0.0 111.005 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.1 t -72.05 -27.19 26.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -165.48 -118.32 0.43 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.534 1.146 . . . . 0.0 111.035 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.464 ' HA3' ' CD2' ' A' ' 49' ' ' HIS . . . 124.69 122.53 2.65 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.433 ' CZ ' HD23 ' A' ' 48' ' ' LEU . 4.7 p90 -115.65 153.12 31.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 0.779 . . . . 0.0 110.968 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.2 p -64.4 158.34 23.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.001 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 67' ' ' ARG . 88.3 mt -115.93 -43.73 2.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.357 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -38.81 -59.12 0.99 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.267 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -96.68 54.92 1.42 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.485 1.115 . . . . 0.0 111.008 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.8 m -141.4 -178.12 5.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 0.783 . . . . 0.0 109.965 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.407 ' O ' ' N ' ' A' ' 95' ' ' ILE . 25.1 tp -154.53 152.24 29.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.513 ' CG1' ' CG ' ' A' ' 120' ' ' LYS . 11.5 p -130.89 150.02 34.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 18.4 m -163.67 160.26 22.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 109.971 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -96.26 157.5 15.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.43 ' CD1' ' HB2' ' A' ' 91' ' ' LEU . 1.1 mt . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.51 HD23 ' CH2' ' A' ' 34' ' ' TRP . 2.0 mp . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.586 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 28.9 p90 -139.86 159.98 40.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 111.0 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.428 ' HG2' ' CD2' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -126.84 164.93 20.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 53.8 t -125.38 105.74 15.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.263 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.538 HG12 ' CD2' ' A' ' 101' ' ' HIS . 54.9 mt -84.56 104.98 13.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 82.5 p -76.72 -162.07 0.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 110.416 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.87 -19.77 47.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.418 ' O ' ' C ' ' A' ' 99' ' ' ASP . 21.9 t70 -99.77 24.06 8.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.418 ' C ' ' O ' ' A' ' 98' ' ' ASP . 27.2 m-20 38.9 46.33 1.07 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.524 HG22 ' CZ ' ' A' ' 102' ' ' TYR . 20.9 m -75.52 -55.34 5.77 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.502 1.127 . . . . 0.0 110.386 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.538 ' CD2' HG12 ' A' ' 95' ' ' ILE . 6.5 m170 78.19 91.02 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.634 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.524 ' CZ ' HG22 ' A' ' 100' ' ' THR . 47.9 m-85 -98.14 106.52 18.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 -76.63 130.01 37.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 111.023 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.586 ' HB ' ' CZ ' ' A' ' 92' ' ' PHE . 20.8 mt -134.29 167.55 25.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.452 ' N ' ' CG2' ' A' ' 104' ' ' ILE . 5.0 tt0 -123.03 147.09 47.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.266 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.466 ' HA ' ' CD2' ' A' ' 24' ' ' LEU . . . -105.86 155.4 19.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.359 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 29.2 m -61.19 -52.7 63.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 109.986 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 15.4 m -129.93 171.82 12.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.013 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.17 -49.18 69.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.21 -51.28 69.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.32 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . 0.418 ' HG3' ' CD1' ' A' ' 115' ' ' TRP . 0.2 OUTLIER -46.07 -38.02 7.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 110.298 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.499 ' CZ ' ' HA ' ' A' ' 91' ' ' LEU . 0.3 OUTLIER -62.15 -76.81 0.05 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.106 . . . . 0.0 110.293 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 112' ' ' ARG . . . -39.56 -36.27 0.38 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 109.361 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -69.8 -54.89 11.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 110.322 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' TRP . . . . . 0.519 ' CD2' ' HG2' ' A' ' 20' ' ' LYS . 45.3 m95 -56.83 -23.72 45.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 107.96 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.408 ' O ' ' C ' ' A' ' 117' ' ' GLU . 96.4 mt -83.79 -75.77 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 109.279 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 116' ' ' ILE . 2.1 tt0 -37.25 -38.98 0.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.563 1.164 . . . . 0.0 110.315 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -55.24 -64.01 0.98 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 109.296 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 13.8 mt -46.59 -53.04 3.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.513 ' CG ' ' CG1' ' A' ' 71' ' ' VAL . 23.3 mttt -44.8 -45.24 9.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 15.6 mttt -51.9 -56.03 16.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.504 ' CD1' ' HB1' ' A' ' 46' ' ' ALA . 2.9 mm? -55.21 -54.92 37.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 50.4 p . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 110.426 179.962 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.426 ' CG1' ' H ' ' A' ' 13' ' ' GLU . 2.0 p . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.426 ' H ' ' CG1' ' A' ' 12' ' ' VAL . 43.3 mt-10 -57.4 -46.7 83.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.237 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.553 ' CD1' ' CG ' ' A' ' 49' ' ' HIS . 1.9 mm? -83.86 6.72 20.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.08 62.46 0.97 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.997 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.403 ' HA2' ' O ' ' A' ' 44' ' ' ASP . . . -141.76 166.25 26.28 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.463 1.102 . . . . 0.0 111.017 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.468 ' CB ' ' HD3' ' A' ' 43' ' ' LYS . 4.8 m -70.12 142.03 52.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 0.793 . . . . 0.0 110.402 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.2 t -76.68 125.65 36.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.482 ' CG1' ' HD2' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -108.27 -36.59 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.282 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.564 ' HG2' ' CD2' ' A' ' 115' ' ' TRP . 3.4 tptt -155.18 140.53 17.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.441 ' OE1' ' CG2' ' A' ' 40' ' ' VAL . 19.4 mt-30 -144.6 144.37 31.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 110.295 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 167.18 -166.63 39.35 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.5 1.125 . . . . 0.0 110.993 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.573 ' CE2' ' HB2' ' A' ' 38' ' ' ARG . 48.4 m-85 -118.48 121.55 40.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 0.785 . . . . 0.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.553 HD21 ' CD1' ' A' ' 115' ' ' TRP . 15.2 mt -114.39 173.78 6.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.262 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -120.16 109.62 15.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.097 . . . . 0.0 109.303 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.4 tttt -88.04 138.03 31.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 110.301 -179.968 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 26.0 m95 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.87 128.26 43.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.268 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.5 t -73.94 118.06 18.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.8 mtm-85 -126.22 152.54 45.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.443 1.089 . . . . 0.0 110.305 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.573 ' HB2' ' CE2' ' A' ' 23' ' ' TYR . 0.8 OUTLIER -86.75 103.93 15.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 110.324 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -97.11 136.28 37.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.968 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.441 ' CG2' ' OE1' ' A' ' 21' ' ' GLN . 10.6 p -120.58 137.43 54.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.445 HD12 ' CE3' ' A' ' 115' ' ' TRP . 0.6 OUTLIER -113.46 113.64 25.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 109.277 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.441 ' NH1' ' O ' ' A' ' 14' ' ' LEU . 1.6 mtp180 -120.22 146.65 45.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 110.301 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.482 ' HD2' ' CG1' ' A' ' 19' ' ' VAL . 0.0 OUTLIER -119.69 159.84 23.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.137 . . . . 0.0 109.334 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.434 ' N ' ' C ' ' A' ' 45' ' ' PRO . 1.1 m-20 37.95 80.01 0.29 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.496 ' HB2' ' CD1' ' A' ' 47' ' ' PHE . 18.2 Cg_endo -74.98 164.49 88.27 Favored 'Cis proline' 0 C--N 1.36 1.148 0 C-N-CA 120.987 -2.505 . . . . 0.0 110.968 0.011 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -89.48 97.87 11.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 109.316 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.496 ' CD1' ' HB2' ' A' ' 45' ' ' PRO . 28.3 m-85 -141.98 174.8 10.26 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 0.0 110.975 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.535 HD23 ' CE2' ' A' ' 64' ' ' PHE . 10.1 tp -149.4 113.59 5.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.266 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.553 ' CG ' ' CD1' ' A' ' 14' ' ' LEU . 39.7 m80 -119.81 159.77 23.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.577 1.173 . . . . 0.0 109.601 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.426 ' CZ ' ' HA3' ' A' ' 62' ' ' GLY . 25.0 p90 -140.61 141.89 35.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.943 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.57 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 30.7 m-85 -114.3 156.38 24.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 110.998 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.564 ' N ' ' CG2' ' A' ' 61' ' ' VAL . 2.3 p30 -95.55 129.65 34.18 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.349 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.15 0 O-C-N 124.523 1.801 . . . . 0.0 110.969 -179.978 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.275 -0.268 . . . . 0.0 110.275 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.57 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 18.2 Cg_endo -74.98 174.67 12.38 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.507 1.793 . . . . 0.0 111.007 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.564 ' CG2' ' N ' ' A' ' 52' ' ' ASP . 0.4 OUTLIER -86.33 -13.66 10.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.326 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.426 ' HA3' ' CZ ' ' A' ' 50' ' ' TYR . . . -170.85 -125.72 0.83 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.513 1.133 . . . . 0.0 110.976 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.528 ' HA3' ' CD2' ' A' ' 49' ' ' HIS . . . 120.12 130.59 3.99 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.535 ' CE2' HD23 ' A' ' 48' ' ' LEU . 8.8 p90 -133.15 148.15 52.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 0.787 . . . . 0.0 111.007 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 91.1 p -63.84 153.86 35.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.993 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 12.9 mt -108.66 -27.09 10.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 109.305 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.15 -54.59 1.75 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 110.307 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -107.32 44.79 1.41 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.485 1.116 . . . . 0.0 111.01 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 17.1 p -120.21 -177.99 3.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 0.77 . . . . 0.0 109.99 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 95' ' ' ILE . 29.5 tp -154.44 151.31 28.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.573 ' CG1' ' HG3' ' A' ' 120' ' ' LYS . 3.4 p -133.87 141.33 44.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.441 1.088 . . . . 0.0 109.309 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.422 ' N ' HG23 ' A' ' 71' ' ' VAL . 18.6 m -150.7 160.35 43.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.986 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -98.34 158.02 15.83 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.103 . . . . 0.0 109.272 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.461 HD12 ' CB ' ' A' ' 91' ' ' LEU . 4.9 mt . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.251 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.495 ' CD2' ' OE1' ' A' ' 105' ' ' GLN . 1.2 mp . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.48 ' C ' ' CD1' ' A' ' 92' ' ' PHE . 2.9 p90 -163.41 155.25 17.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 111.057 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.428 ' HE2' ' CG1' ' A' ' 95' ' ' ILE . 0.4 OUTLIER -121.73 165.97 15.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 84.3 t -127.02 102.21 9.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.511 HG12 ' CG ' ' A' ' 101' ' ' HIS . 58.8 mt -88.21 116.22 29.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 14.4 p -88.22 -170.96 3.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 110.36 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.99 -14.56 62.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -97.48 16.15 21.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.26 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.614 ' C ' ' CD2' ' A' ' 101' ' ' HIS . 0.2 OUTLIER 43.49 31.56 0.44 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.35 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.511 HG22 ' CZ ' ' A' ' 102' ' ' TYR . 25.5 m -62.92 -55.82 22.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 110.392 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.614 ' CD2' ' C ' ' A' ' 99' ' ' ASP . 4.6 m170 79.28 94.85 0.06 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.118 . . . . 0.0 109.594 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.511 ' CZ ' HG22 ' A' ' 100' ' ' THR . 60.1 m-85 -101.92 110.16 22.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 110.952 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -78.1 129.48 35.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.989 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.428 ' CG2' ' N ' ' A' ' 105' ' ' GLN . 57.2 mt -137.15 166.91 24.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.333 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.495 ' OE1' ' CD2' ' A' ' 91' ' ' LEU . 8.2 tp60 -128.87 151.53 49.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.318 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.426 ' HA ' ' CD2' ' A' ' 24' ' ' LEU . . . -107.0 163.17 13.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.261 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 34.5 t -65.41 -44.02 88.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.022 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -138.65 169.91 16.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.953 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.31 -38.9 66.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -70.73 -52.6 19.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.289 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -42.05 -38.14 1.57 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 110.305 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.482 ' CG ' HD12 ' A' ' 116' ' ' ILE . 0.0 OUTLIER -64.32 -69.37 0.29 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 110.276 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 112' ' ' ARG . . . -38.93 -45.57 1.2 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 109.328 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -61.67 -57.48 11.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 110.312 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' TRP . . . . . 0.564 ' CD2' ' HG2' ' A' ' 20' ' ' LYS . 48.6 m95 -54.35 -33.51 59.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 107.954 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.482 HD12 ' CG ' ' A' ' 112' ' ' ARG . 62.4 mt -74.14 -76.37 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 116' ' ' ILE . 2.9 tt0 -34.96 -42.43 0.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.261 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -56.4 -66.41 0.44 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.418 ' O ' ' C ' ' A' ' 120' ' ' LYS . 80.0 mt -40.79 -59.98 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.573 ' HG3' ' CG1' ' A' ' 71' ' ' VAL . 0.2 OUTLIER -39.37 -51.37 2.08 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.261 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 12.4 mttt -45.77 -60.05 2.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.336 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.412 HD22 ' CD2' ' A' ' 41' ' ' LEU . 0.3 OUTLIER -48.36 -56.88 6.97 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 17.8 p . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.382 -179.987 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.411 ' CG1' ' H ' ' A' ' 13' ' ' GLU . 2.7 p . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.517 ' HG2' ' CZ ' ' A' ' 47' ' ' PHE . 76.8 mt-10 -57.2 -48.7 78.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 110.267 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.53 HD11 ' CG ' ' A' ' 49' ' ' HIS . 0.7 OUTLIER -82.51 3.79 26.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.337 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -104.62 69.15 0.88 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 110.015 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -141.14 157.81 26.15 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.473 1.108 . . . . 0.0 111.015 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.3 m -68.02 115.8 7.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 0.774 . . . . 0.0 110.383 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.2 t -53.44 124.37 5.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.301 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.466 HG11 ' CG ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -110.14 -30.48 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.349 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.544 ' HG2' ' CD2' ' A' ' 115' ' ' TRP . 3.3 tptt -154.87 143.48 20.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.429 ' NE2' ' CG2' ' A' ' 40' ' ' VAL . 10.9 mt-30 -146.72 149.85 34.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 0.0 110.316 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 160.17 -174.26 36.9 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.517 1.136 . . . . 0.0 111.036 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.563 ' CE2' ' HB2' ' A' ' 38' ' ' ARG . 76.9 m-85 -112.59 120.65 42.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 0.8 . . . . 0.0 111.013 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.489 ' HB2' ' CD1' ' A' ' 39' ' ' PHE . 26.0 mt -115.43 167.63 10.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -113.66 105.67 13.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 18.3 tttt -85.36 130.69 34.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.511 ' HB2' ' CE2' ' A' ' 34' ' ' TRP . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.133 . . . . 0.0 110.294 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.511 ' CE2' ' HB2' ' A' ' 27' ' ' GLN . 64.7 m95 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.28 122.5 28.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.3 t -60.64 136.69 24.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.562 1.164 . . . . 0.0 109.29 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.34 147.5 31.4 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 110.289 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.563 ' HB2' ' CE2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -80.76 102.89 10.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 0.0 110.263 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.489 ' CD1' ' HB2' ' A' ' 24' ' ' LEU . 15.7 m-85 -96.86 131.66 43.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.105 . . . . 0.0 111.018 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.429 ' CG2' ' NE2' ' A' ' 21' ' ' GLN . 14.0 p -117.21 143.26 28.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.526 HD11 ' CE3' ' A' ' 115' ' ' TRP . 0.7 OUTLIER -117.63 144.6 45.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 76.9 mtt85 -139.76 164.48 29.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 0.0 110.305 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.466 ' CG ' HG11 ' A' ' 19' ' ' VAL . 3.0 pttt -141.35 143.18 33.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.459 ' N ' ' C ' ' A' ' 45' ' ' PRO . 8.7 t70 43.52 79.33 0.34 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.459 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.2 Cg_endo -74.96 169.79 73.57 Favored 'Cis proline' 0 C--N 1.36 1.165 0 C-N-CA 121.014 -2.494 . . . . 0.0 110.963 -0.037 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -97.9 108.5 21.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 0.0 109.309 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.517 ' CZ ' ' HG2' ' A' ' 13' ' ' GLU . 19.8 m-85 -150.06 167.91 25.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 111.022 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.476 HD22 ' CZ ' ' A' ' 64' ' ' PHE . 7.5 tp -148.91 113.66 5.38 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.53 ' CG ' HD11 ' A' ' 14' ' ' LEU . 68.1 m80 -121.02 159.59 25.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.092 . . . . 0.0 109.624 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.46 ' HB3' ' CD2' ' A' ' 39' ' ' PHE . 32.0 p90 -142.78 142.82 31.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 110.987 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.589 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 16.4 m-85 -118.0 156.27 28.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.133 . . . . 0.0 110.985 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -85.68 122.99 73.09 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.213 0 O-C-N 124.428 1.752 . . . . 0.0 111.011 179.972 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.589 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 18.5 Cg_endo -74.95 167.5 26.91 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.543 1.812 . . . . 0.0 111.02 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.425 ' CG2' ' HA ' ' A' ' 51' ' ' TYR . 4.9 t -84.39 -30.89 7.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -155.8 -117.42 0.57 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.484 1.115 . . . . 0.0 110.984 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.448 ' HA3' ' CD2' ' A' ' 49' ' ' HIS . . . 100.95 129.17 6.6 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.476 ' CZ ' HD22 ' A' ' 48' ' ' LEU . 9.8 p90 -122.18 149.52 43.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 0.779 . . . . 0.0 111.017 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 11.0 p -74.47 131.39 40.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.018 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.473 HD13 ' CB ' ' A' ' 122' ' ' LEU . 80.2 mt -71.11 -44.7 65.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 109.263 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 11.8 mmt180 -40.28 95.93 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.545 1.153 . . . . 0.0 110.272 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 66' ' ' LEU . . . 96.2 38.3 4.6 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.462 1.101 . . . . 0.0 110.998 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 66' ' ' LEU . 8.8 m -122.91 -179.18 4.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.437 0.728 . . . . 0.0 109.95 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.515 ' CD1' ' N ' ' A' ' 71' ' ' VAL . 3.0 tm? -156.24 157.14 35.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.324 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.556 ' CG1' ' HG3' ' A' ' 120' ' ' LYS . 3.0 p -142.07 141.57 28.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.1 m -148.74 163.52 37.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.985 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -95.85 153.81 17.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 109.329 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.467 ' CD1' ' HB2' ' A' ' 91' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.467 ' HB2' ' CD1' ' A' ' 74' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.416 ' CE1' ' HB ' ' A' ' 104' ' ' ILE . 36.9 p90 -147.37 177.28 9.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 110.975 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.419 ' HG2' ' CD2' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -143.28 163.94 31.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 55.2 t -122.0 118.22 54.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.137 . . . . 0.0 109.293 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.521 HG12 ' CD2' ' A' ' 101' ' ' HIS . 61.1 mt -99.94 101.13 11.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 18.0 p -73.55 -168.72 0.59 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.389 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.48 -9.8 58.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.335 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -101.88 13.78 33.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.269 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.461 ' C ' ' CD2' ' A' ' 101' ' ' HIS . 5.5 m-20 42.8 43.11 3.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.493 HG22 ' CE2' ' A' ' 102' ' ' TYR . 16.2 m -73.58 -52.62 12.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.377 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.521 ' CD2' HG12 ' A' ' 95' ' ' ILE . 3.6 m170 79.68 83.71 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.559 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.493 ' CE2' HG22 ' A' ' 100' ' ' THR . 29.3 m-85 -89.86 112.49 23.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.982 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 -79.11 118.81 21.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.997 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.416 ' HB ' ' CE1' ' A' ' 92' ' ' PHE . 70.2 mt -125.22 162.24 28.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 109.271 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.418 ' CG ' ' N ' ' A' ' 106' ' ' ALA . 5.9 tt0 -120.15 155.07 33.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 110.336 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.418 ' N ' ' CG ' ' A' ' 105' ' ' GLN . . . -111.26 154.04 25.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.252 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.7 t -67.23 -52.25 43.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.45 1.093 . . . . 0.0 109.993 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.16 168.44 17.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.017 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -47.76 -55.53 9.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -54.79 -54.91 35.96 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . 0.497 ' HG3' ' CD1' ' A' ' 115' ' ' TRP . 0.8 OUTLIER -43.44 -37.9 2.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 110.333 179.94 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.454 ' CD ' HD11 ' A' ' 116' ' ' ILE . 0.0 OUTLIER -56.46 -73.08 0.07 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 110.299 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.491 ' O ' ' N ' ' A' ' 117' ' ' GLU . . . -48.45 -48.96 37.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.441 ' OE1' ' NZ ' ' A' ' 20' ' ' LYS . 3.0 mt-10 -47.22 -67.39 0.28 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 110.307 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' TRP . . . . . 0.544 ' CD2' ' HG2' ' A' ' 20' ' ' LYS . 72.6 m95 -49.22 -45.51 44.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 107.999 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.454 HD11 ' CD ' ' A' ' 112' ' ' ARG . 14.2 mt -57.65 -78.42 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 113' ' ' ALA . 0.8 OUTLIER -38.32 -45.98 1.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 110.283 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.471 ' HB1' ' CD1' ' A' ' 41' ' ' LEU . . . -48.55 -54.26 15.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 6.1 mt -53.89 -54.7 18.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.273 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.556 ' HG3' ' CG1' ' A' ' 71' ' ' VAL . 0.0 OUTLIER -51.68 -51.36 56.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.338 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 21.5 mttt -40.31 -60.29 1.12 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.328 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.473 ' CB ' HD13 ' A' ' 66' ' ' LEU . 0.7 OUTLIER -52.13 -55.38 21.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 109.317 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 24.2 p . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.392 179.976 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.491 ' O ' ' CG ' ' A' ' 45' ' ' PRO . 2.4 p . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.432 ' HG2' ' CZ ' ' A' ' 47' ' ' PHE . 73.2 mt-10 -57.01 -47.44 80.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 110.326 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.565 HD21 ' CD2' ' A' ' 49' ' ' HIS . 0.7 OUTLIER -82.03 -11.24 58.92 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -84.75 49.29 1.68 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.554 1.159 . . . . 0.0 110.026 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -121.71 156.3 16.58 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.499 1.124 . . . . 0.0 110.94 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.3 m -69.24 125.02 25.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 0.761 . . . . 0.0 110.418 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.3 t -61.12 121.91 10.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.47 ' CG1' ' HE2' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -110.31 -31.74 2.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.527 ' HG2' ' CE3' ' A' ' 115' ' ' TRP . 3.1 tptt -151.23 140.47 21.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.359 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -145.3 151.37 38.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.299 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 157.03 -169.44 34.17 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.523 1.139 . . . . 0.0 110.996 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 -112.22 134.2 53.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 0.787 . . . . 0.0 111.009 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.527 ' HB2' ' CD1' ' A' ' 39' ' ' PHE . 25.6 mt -134.63 167.52 20.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.133 . . . . 0.0 109.271 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -109.07 138.38 45.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.345 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 13.0 tttt -107.59 106.76 17.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.095 . . . . 0.0 109.318 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.521 ' HA ' ' CG ' ' A' ' 34' ' ' TRP . 14.1 tt0 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.277 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.614 ' N ' ' CD1' ' A' ' 34' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -104.4 161.47 14.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.113 . . . . 0.0 109.337 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.0 t -100.16 142.64 15.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.467 1.104 . . . . 0.0 109.268 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -143.77 155.34 44.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.313 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 10.9 ttp85 -84.38 105.03 14.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 110.246 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.527 ' CD1' ' HB2' ' A' ' 24' ' ' LEU . 25.6 m-85 -97.14 136.56 37.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 111.016 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.8 p -121.6 139.52 48.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.452 ' CD2' HD23 ' A' ' 122' ' ' LEU . 0.3 OUTLIER -114.44 134.89 54.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.447 ' NH1' ' O ' ' A' ' 14' ' ' LEU . 88.8 mtt-85 -132.2 161.51 33.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.318 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.47 ' HE2' ' CG1' ' A' ' 19' ' ' VAL . 2.7 pttt -136.79 141.09 42.92 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.475 ' N ' ' O ' ' A' ' 45' ' ' PRO . 2.4 m-20 49.42 80.02 0.32 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.491 ' CG ' ' O ' ' A' ' 12' ' ' VAL . 18.2 Cg_endo -74.98 174.23 53.75 Favored 'Cis proline' 0 C--N 1.36 1.144 0 C-N-CA 121.012 -2.495 . . . . 0.0 110.978 -0.029 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.442 ' CB ' ' HB3' ' A' ' 122' ' ' LEU . . . -99.9 105.97 17.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.081 . . . . 0.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.432 ' CZ ' ' HG2' ' A' ' 13' ' ' GLU . 37.3 m-85 -150.42 168.89 22.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 110.999 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.521 HD23 ' CZ ' ' A' ' 64' ' ' PHE . 12.9 tp -143.7 114.43 7.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 109.305 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.565 ' CD2' HD21 ' A' ' 14' ' ' LEU . 59.3 m80 -116.24 164.19 14.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 109.547 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 38.5 p90 -148.03 144.52 27.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 111.016 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.577 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 8.5 m-85 -118.65 155.38 31.1 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 110.984 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -83.61 120.67 75.69 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 109.298 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.161 0 O-C-N 124.505 1.792 . . . . 0.0 110.96 -179.975 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.313 -0.254 . . . . 0.0 110.313 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.577 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 18.1 Cg_endo -74.99 169.16 23.24 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.511 1.795 . . . . 0.0 110.968 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.418 ' CG2' ' HA ' ' A' ' 51' ' ' TYR . 4.5 t -89.45 -30.63 5.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.128 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -154.58 -116.34 0.58 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.458 1.099 . . . . 0.0 111.015 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.504 ' HA3' ' CD2' ' A' ' 49' ' ' HIS . . . 107.02 131.51 6.73 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.527 ' CD1' ' N ' ' A' ' 64' ' ' PHE . 1.4 p90 -126.44 156.5 40.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 0.768 . . . . 0.0 110.991 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.3 t -69.46 150.09 47.58 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.501 1.126 . . . . 0.0 110.006 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.418 ' O ' ' C ' ' A' ' 67' ' ' ARG . 77.8 mt -104.38 -37.64 7.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 66' ' ' LEU . 1.1 mmt180 -37.63 -57.24 0.98 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 110.263 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -101.77 50.67 0.96 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.512 1.133 . . . . 0.0 111.0 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 24.3 p -130.52 -178.24 4.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 0.765 . . . . 0.0 110.013 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.551 ' CD1' ' N ' ' A' ' 71' ' ' VAL . 3.1 tm? -152.69 153.37 33.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.345 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.551 ' N ' ' CD1' ' A' ' 70' ' ' LEU . 7.3 p -138.85 140.19 39.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.7 p -144.65 171.56 14.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 110.02 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -111.66 156.27 22.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.48 ' CD1' ' CH2' ' A' ' 34' ' ' TRP . 4.7 mt . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.573 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 32.0 p90 -164.54 151.99 11.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 111.007 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.8 160.7 16.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 96.2 t -135.6 105.28 5.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.563 HG12 ' CD2' ' A' ' 101' ' ' HIS . 11.9 mt -86.9 116.29 29.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 31.5 p -92.45 172.99 8.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.428 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -56.93 -17.33 9.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.66 19.12 3.56 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 47.21 33.48 2.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 66.8 m -104.2 118.82 37.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.566 1.166 . . . . 0.0 110.368 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.563 ' CD2' HG12 ' A' ' 95' ' ' ILE . 13.8 m170 -85.85 100.61 12.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.613 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -90.91 100.1 13.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 110.962 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -74.71 114.3 12.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 111.03 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.573 ' HB ' ' CZ ' ' A' ' 92' ' ' PHE . 61.8 mt -111.67 160.01 11.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.476 ' HG3' ' CD2' ' A' ' 91' ' ' LEU . 11.8 tt0 -113.58 141.46 47.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.328 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.417 ' CB ' ' HB2' ' A' ' 112' ' ' ARG . . . -105.39 148.8 26.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.56 -45.91 84.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 109.988 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.7 -176.5 4.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 109.992 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 8.8 tmtt? -64.06 -36.78 85.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 111' ' ' GLU . . . -74.2 -53.91 8.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.564 1.165 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 110' ' ' ALA . 0.7 OUTLIER -38.09 -41.12 0.55 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 110.319 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.417 ' HB2' ' CB ' ' A' ' 106' ' ' ALA . 9.8 ttp180 -64.82 -68.9 0.32 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.317 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 112' ' ' ARG . . . -40.31 -40.35 1.14 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 42.2 mm-40 -68.2 -58.85 3.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.278 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' TRP . . . . . 0.527 ' CE3' ' HG2' ' A' ' 20' ' ' LYS . 52.3 m95 -53.35 -24.34 11.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 107.978 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.473 HG21 ' CD ' ' A' ' 120' ' ' LYS . 39.1 mt -81.63 -77.01 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 116' ' ' ILE . 2.1 tt0 -35.69 -40.82 0.19 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 110.264 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.428 ' O ' ' N ' ' A' ' 121' ' ' LYS . . . -56.51 -68.1 0.24 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.455 ' CD1' ' O ' ' A' ' 115' ' ' TRP . 27.0 mt -40.81 -59.72 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.541 ' HG3' ' CG1' ' A' ' 71' ' ' VAL . 0.0 OUTLIER -38.75 -41.73 0.74 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 109.256 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . 0.428 ' N ' ' O ' ' A' ' 118' ' ' ALA . 15.0 mttt -58.84 -58.43 8.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 109.343 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.452 HD23 ' CD2' ' A' ' 41' ' ' LEU . 0.3 OUTLIER -51.15 -57.11 9.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.245 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' THR . . . . . 0.406 ' O ' ' O ' ' A' ' 122' ' ' LEU . 18.4 p . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 110.383 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.419 ' CA ' ' HB2' ' A' ' 15' ' ' SER . 2.5 p . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.586 ' OE1' ' CE1' ' A' ' 47' ' ' PHE . 40.5 mt-10 -58.62 -46.71 86.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.308 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.573 HD23 ' CD2' ' A' ' 49' ' ' HIS . 0.5 OUTLIER -87.6 5.05 41.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.419 ' HB2' ' CA ' ' A' ' 12' ' ' VAL . 0.1 OUTLIER -90.66 -14.22 32.71 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.501 1.126 . . . . 0.0 109.966 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -57.6 155.87 18.22 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.522 1.139 . . . . 0.0 110.975 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.9 m -68.19 126.24 28.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 0.778 . . . . 0.0 110.423 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.2 t -60.9 121.24 8.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 109.302 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -110.81 -31.11 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.52 ' HG2' ' CD2' ' A' ' 115' ' ' TRP . 4.4 tptt -151.56 143.1 23.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 109.334 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.417 ' N ' ' HG3' ' A' ' 20' ' ' LYS . 27.3 mt-30 -150.98 153.57 35.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 110.301 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 156.54 -158.18 28.52 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.53 1.144 . . . . 0.0 111.014 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.465 ' CE2' ' HB2' ' A' ' 38' ' ' ARG . 31.4 m-85 -122.89 124.87 44.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 0.783 . . . . 0.0 110.995 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.464 ' HB2' ' CD1' ' A' ' 39' ' ' PHE . 26.7 mt -116.83 169.09 9.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.472 ' CB ' ' HB3' ' A' ' 105' ' ' GLN . . . -114.86 109.88 18.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.1 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 73.3 tttt -96.63 110.51 22.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.267 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.282 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 39.7 m95 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.82 133.93 55.5 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.431 ' O ' ' NH1' ' A' ' 37' ' ' ARG . 2.1 t -69.95 143.56 14.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.449 ' HB2' ' NH1' ' A' ' 37' ' ' ARG . 0.2 OUTLIER -146.64 133.93 20.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.275 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.465 ' HB2' ' CE2' ' A' ' 23' ' ' TYR . 10.8 ttp180 -75.25 103.94 5.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 110.311 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.464 ' CD1' ' HB2' ' A' ' 24' ' ' LEU . 12.9 m-85 -96.71 150.87 20.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.434 HG23 ' NH1' ' A' ' 42' ' ' ARG . 14.6 p -135.95 132.78 50.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.342 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -109.92 141.89 42.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.33 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.434 ' NH1' HG23 ' A' ' 40' ' ' VAL . 3.2 mtt85 -139.86 166.63 24.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.314 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -132.81 145.35 50.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.464 1.102 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.459 ' HA ' ' HA ' ' A' ' 45' ' ' PRO . 1.9 t0 49.99 97.48 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.477 ' O ' ' CB ' ' A' ' 46' ' ' ALA . 18.3 Cg_endo -74.98 -3.97 19.97 Favored 'Cis proline' 0 C--N 1.361 1.197 0 C-N-CA 121.005 -2.498 . . . . 0.0 111.011 -0.003 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.486 ' HB2' ' CD1' ' A' ' 122' ' ' LEU . . . 82.7 122.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.586 ' CE1' ' OE1' ' A' ' 13' ' ' GLU . 4.5 m-85 -159.98 156.36 26.96 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.479 1.112 . . . . 0.0 110.969 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 55.7 tp -124.65 113.7 18.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.147 . . . . 0.0 109.298 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.573 ' CD2' HD23 ' A' ' 14' ' ' LEU . 47.8 m80 -123.21 157.02 33.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.633 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.599 ' C ' ' CD1' ' A' ' 51' ' ' TYR . 13.7 p90 -133.08 176.57 8.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 110.978 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.599 ' CD1' ' C ' ' A' ' 50' ' ' TYR . 26.8 m-85 -151.49 147.41 26.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 111.015 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -84.69 115.63 61.6 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.121 0 O-C-N 124.537 1.809 . . . . 0.0 110.971 179.995 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.347 -0.242 . . . . 0.0 110.347 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.55 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 18.4 Cg_endo -74.99 159.78 40.98 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.476 1.777 . . . . 0.0 111.012 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.576 ' HB ' ' CE2' ' A' ' 50' ' ' TYR . 3.5 t -68.25 -32.49 56.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -165.73 -134.48 1.68 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.502 1.126 . . . . 0.0 111.038 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.486 ' HA3' ' CD2' ' A' ' 49' ' ' HIS . . . 137.06 141.07 4.19 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.486 ' CD1' ' N ' ' A' ' 64' ' ' PHE . 2.9 p90 -133.33 155.76 48.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 0.753 . . . . 0.0 111.006 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 98.4 p -70.59 160.81 31.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.568 1.168 . . . . 0.0 110.029 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.423 ' O ' ' C ' ' A' ' 67' ' ' ARG . 69.7 mt -112.51 -37.16 5.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -37.37 -60.73 0.65 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 110.279 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -96.28 55.85 1.49 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.476 1.11 . . . . 0.0 110.991 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.0 m -143.12 -173.85 4.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 0.755 . . . . 0.0 110.026 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 95' ' ' ILE . 0.8 OUTLIER -152.48 168.46 25.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.267 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.485 ' CG1' ' HG2' ' A' ' 120' ' ' LYS . 10.2 p -152.98 145.03 15.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.2 m -157.78 165.84 34.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 110.06 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -89.44 161.83 16.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 6.5 mt . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.333 179.985 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.403 HD23 ' CG ' ' A' ' 105' ' ' GLN . 1.5 mt . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.455 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 20.6 p90 -172.98 156.24 3.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 110.983 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.94 162.22 20.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 52.4 t -131.05 108.29 14.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.574 HG12 ' CD2' ' A' ' 101' ' ' HIS . 14.0 mt -86.36 112.13 22.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 33.8 p -86.2 -179.56 6.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 110.427 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.1 -13.81 40.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -95.6 8.98 41.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 15.8 t70 62.29 21.57 12.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.311 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.468 HG23 ' CE2' ' A' ' 102' ' ' TYR . 87.3 m -84.47 123.17 29.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 110.438 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.574 ' CD2' HG12 ' A' ' 95' ' ' ILE . 21.2 m170 -93.53 108.51 20.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 109.585 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.468 ' CE2' HG23 ' A' ' 100' ' ' THR . 40.8 m-85 -94.54 102.43 14.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 110.984 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 54.7 m-85 -75.72 116.61 16.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 111.03 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.455 ' HB ' ' CZ ' ' A' ' 92' ' ' PHE . 64.7 mt -127.66 164.16 29.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.472 ' HB3' ' CB ' ' A' ' 25' ' ' ALA . 26.4 tt0 -121.5 144.73 48.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.272 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -99.99 154.87 18.04 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.444 1.09 . . . . 0.0 109.301 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.3 t -58.93 -52.23 66.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.987 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.66 179.22 5.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 109.947 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? -61.45 -42.9 99.48 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -68.43 -51.6 42.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . 0.452 ' HG3' ' CD1' ' A' ' 115' ' ' TRP . 1.0 OUTLIER -42.55 -38.38 1.95 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.296 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.407 ' HG2' ' CD1' ' A' ' 116' ' ' ILE . 35.2 ttp180 -62.69 -70.22 0.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.309 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -44.91 -37.07 3.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 109.29 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -69.04 -54.26 16.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.312 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' TRP . . . . . 0.52 ' CD2' ' HG2' ' A' ' 20' ' ' LYS . 46.8 m95 -57.37 -27.43 62.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 107.993 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.417 ' O ' ' C ' ' A' ' 117' ' ' GLU . 83.1 mt -78.28 -76.35 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 109.263 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 116' ' ' ILE . 2.5 tt0 -36.38 -41.19 0.27 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.453 1.096 . . . . 0.0 110.267 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -57.13 -60.28 3.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 109.282 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 17.7 mt -53.51 -45.25 58.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 109.291 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.485 ' HG2' ' CG1' ' A' ' 71' ' ' VAL . 29.4 mttt -46.28 -52.37 12.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 15.6 mttt -47.98 -60.23 2.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 109.276 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.486 ' CD1' ' HB2' ' A' ' 46' ' ' ALA . 0.1 OUTLIER -47.68 -56.22 7.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 109.289 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 19.3 p . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 110.438 179.98 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.423 HG22 ' N ' ' A' ' 13' ' ' GLU . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.601 ' CD ' ' CE2' ' A' ' 47' ' ' PHE . 5.8 mt-10 -65.0 -37.26 87.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 110.288 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.511 HD13 ' CG ' ' A' ' 49' ' ' HIS . 2.5 mm? -82.59 4.82 23.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.4 t -96.85 59.45 1.71 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.972 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -132.35 153.9 20.8 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.482 1.114 . . . . 0.0 110.958 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.6 m -67.43 123.29 19.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 0.779 . . . . 0.0 110.39 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.406 ' CG1' ' HG3' ' A' ' 21' ' ' GLN . 2.1 t -63.17 123.78 16.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -112.9 -33.8 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.522 ' HG2' ' CD2' ' A' ' 115' ' ' TRP . 2.4 tptt -145.81 139.9 26.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.443 ' NE2' ' CG2' ' A' ' 40' ' ' VAL . 4.9 mt-30 -145.62 148.99 33.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 110.276 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 160.73 -175.15 37.45 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.533 1.146 . . . . 0.0 110.996 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.515 ' CE2' ' HB2' ' A' ' 38' ' ' ARG . 66.7 m-85 -109.69 127.57 54.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 0.755 . . . . 0.0 111.011 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.486 ' HB2' ' CD1' ' A' ' 39' ' ' PHE . 20.2 mt -127.13 169.77 13.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.266 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -106.74 151.04 25.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.32 103.38 9.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.297 -179.984 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.603 ' N ' ' CD1' ' A' ' 34' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.0 mttt -93.54 157.36 16.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.349 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.4 t -95.64 146.61 6.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 28.9 mmt85 -146.42 158.81 43.94 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.111 . . . . 0.0 110.29 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.515 ' HB2' ' CE2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -91.66 104.56 17.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.28 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.486 ' CD1' ' HB2' ' A' ' 24' ' ' LEU . 23.1 m-85 -97.21 132.51 42.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 111.003 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.493 ' CG1' ' O ' ' A' ' 49' ' ' HIS . 14.5 p -116.27 139.4 43.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.474 ' CB ' ' HB3' ' A' ' 20' ' ' LYS . 0.4 OUTLIER -113.45 124.57 52.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 109.305 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.415 ' NH1' HG12 ' A' ' 40' ' ' VAL . 31.9 mtt85 -124.72 157.27 36.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 110.31 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 45' ' ' PRO . 0.6 OUTLIER -134.5 148.69 50.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.147 . . . . 0.0 109.316 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 45' ' ' PRO . 0.5 OUTLIER 42.87 83.15 0.21 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.425 1.078 . . . . 0.0 109.281 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.462 ' O ' ' N ' ' A' ' 44' ' ' ASP . 18.3 Cg_endo -74.96 176.53 43.0 Favored 'Cis proline' 0 C--N 1.36 1.17 0 C-N-CA 121.004 -2.498 . . . . 0.0 110.987 -0.031 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.551 ' O ' ' CD1' ' A' ' 47' ' ' PHE . . . -95.37 109.48 21.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.601 ' CE2' ' CD ' ' A' ' 13' ' ' GLU . 27.3 m-85 -160.2 148.49 16.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 110.987 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.542 HD22 ' CE2' ' A' ' 64' ' ' PHE . 3.0 tp -129.74 113.49 14.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.511 ' CG ' HD13 ' A' ' 14' ' ' LEU . 67.4 m80 -119.22 161.2 20.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.635 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.561 ' CE2' ' HB ' ' A' ' 61' ' ' VAL . 6.5 p90 -145.06 151.73 38.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 111.023 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.551 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 15.8 m-85 -123.79 143.47 50.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 111.015 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -76.89 125.63 86.74 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.148 0 O-C-N 124.516 1.798 . . . . 0.0 110.98 -179.987 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.294 -0.261 . . . . 0.0 110.294 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.551 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 18.3 Cg_endo -75.03 167.96 25.87 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.516 1.798 . . . . 0.0 111.033 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.561 ' HB ' ' CE2' ' A' ' 50' ' ' TYR . 2.6 t -69.89 -30.34 43.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 139.76 73.48 0.05 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.507 1.129 . . . . 0.0 111.015 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -64.03 -179.81 6.36 Favored Glycine 0 CA--C 1.531 1.069 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.542 ' CE2' HD22 ' A' ' 48' ' ' LEU . 1.9 p90 -134.05 163.65 29.1 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.58 0.812 . . . . 0.0 110.999 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 30.4 p -72.76 158.46 35.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.032 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.406 ' O ' ' C ' ' A' ' 67' ' ' ARG . 94.1 mt -109.33 -42.5 4.35 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.115 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -38.01 -58.24 0.96 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.286 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -98.34 55.64 1.08 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.48 1.112 . . . . 0.0 111.014 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 25.0 m -145.61 177.41 8.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 0.762 . . . . 0.0 110.006 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 95' ' ' ILE . 15.3 tp -154.48 155.17 34.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 109.286 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.54 ' CG1' ' HG3' ' A' ' 120' ' ' LYS . 7.1 p -132.6 149.84 32.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 13.2 m -161.7 160.62 28.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.978 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -97.76 159.42 14.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 109.349 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.444 ' CD2' ' HG3' ' A' ' 105' ' ' GLN . 3.5 mt . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.572 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 24.8 p90 -167.81 179.0 4.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.54 1.15 . . . . 0.0 110.993 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.405 ' HB3' ' CD1' ' A' ' 103' ' ' TYR . 0.0 OUTLIER -139.8 164.99 28.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.438 1.086 . . . . 0.0 109.292 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 71.4 t -134.1 113.61 18.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.114 . . . . 0.0 109.339 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.573 HG12 ' CD2' ' A' ' 101' ' ' HIS . 12.4 mt -87.82 114.98 27.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.431 1.082 . . . . 0.0 109.281 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 24.8 p -85.66 -177.94 6.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.403 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.23 -13.8 59.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.271 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -93.53 8.82 39.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 50.0 t0 62.76 21.54 12.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.346 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.458 HG23 ' CE1' ' A' ' 102' ' ' TYR . 59.0 m -88.43 120.12 29.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.117 . . . . 0.0 110.373 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.573 ' CD2' HG12 ' A' ' 95' ' ' ILE . 14.6 m170 -87.39 105.54 17.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.57 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.458 ' CE1' HG23 ' A' ' 100' ' ' THR . 26.7 m-85 -92.87 100.88 13.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 111.006 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . 0.405 ' CD1' ' HB3' ' A' ' 93' ' ' LYS . 4.0 m-85 -74.84 122.73 23.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 110.971 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.572 ' HB ' ' CZ ' ' A' ' 92' ' ' PHE . 36.6 mt -119.49 164.04 16.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.491 ' HB2' ' CZ3' ' A' ' 34' ' ' TRP . 3.5 tt0 -113.63 139.05 49.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 110.315 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.479 ' CB ' ' HB2' ' A' ' 112' ' ' ARG . . . -106.21 145.8 31.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 109.329 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.4 t -55.88 -45.23 78.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.02 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -137.33 169.56 17.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.014 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -58.09 -24.59 59.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -85.4 -51.73 6.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -39.44 -41.21 0.93 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.325 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.479 ' HB2' ' CB ' ' A' ' 106' ' ' ALA . 8.7 ttp180 -61.82 -66.8 0.48 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.453 1.095 . . . . 0.0 110.279 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -43.3 -34.25 1.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.289 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -72.41 -50.83 23.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 110.293 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' TRP . . . . . 0.522 ' CD2' ' HG2' ' A' ' 20' ' ' LYS . 63.4 m95 -62.41 -25.05 67.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 108.051 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.472 HG23 ' CD ' ' A' ' 120' ' ' LYS . 43.7 mt -79.06 -76.96 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 116' ' ' ILE . 1.8 tt0 -36.11 -39.81 0.19 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 110.331 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -56.67 -69.71 0.14 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.49 ' CD1' ' O ' ' A' ' 115' ' ' TRP . 13.3 mt -40.49 -59.5 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.54 ' HG3' ' CG1' ' A' ' 71' ' ' VAL . 0.0 OUTLIER -38.71 -54.51 1.57 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 120' ' ' LYS . 14.5 mttt -38.92 -60.34 0.86 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.339 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.494 ' CD1' ' HB2' ' A' ' 46' ' ' ALA . 3.7 mm? -54.09 -55.25 29.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' THR . . . . . 0.42 ' O ' ' O ' ' A' ' 120' ' ' LYS . 7.1 p . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.432 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.47 ' CG1' ' N ' ' A' ' 13' ' ' GLU . 6.0 p . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.47 ' N ' ' CG1' ' A' ' 12' ' ' VAL . 3.3 mp0 -59.46 -49.52 77.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.288 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.528 HD23 ' CD2' ' A' ' 49' ' ' HIS . 0.3 OUTLIER -82.64 2.13 34.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.285 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -93.17 25.11 3.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.435 1.084 . . . . 0.0 109.999 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -98.97 159.42 20.14 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.513 1.133 . . . . 0.0 111.0 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.8 m -75.98 126.93 31.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 0.759 . . . . 0.0 110.424 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.2 t -62.58 122.74 14.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 0.0 109.309 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.468 ' CG1' ' HE2' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -111.82 -31.5 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.336 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.512 ' HG2' ' CE3' ' A' ' 115' ' ' TRP . 2.7 tptt -152.55 143.59 23.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.596 ' NE2' ' H ' ' A' ' 21' ' ' GLN . 0.0 OUTLIER -156.41 167.22 31.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 110.29 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 150.61 -153.61 25.12 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.541 1.151 . . . . 0.0 111.002 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -124.43 114.77 19.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 0.777 . . . . 0.0 111.026 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.452 ' HB2' ' CD1' ' A' ' 39' ' ' PHE . 47.6 mt -107.45 168.17 9.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -114.84 115.27 26.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 109.344 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.464 ' HD3' ' CG1' ' A' ' 104' ' ' ILE . 0.0 OUTLIER -85.97 153.17 22.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.327 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.45 ' HG3' ' CE2' ' A' ' 34' ' ' TRP . 2.9 tt0 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.291 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.45 ' CE2' ' HG3' ' A' ' 27' ' ' GLN . 13.4 m95 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -138.74 124.57 19.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.268 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.6 t -74.35 117.29 18.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 109.277 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.5 ttp180 -122.86 157.54 32.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 110.313 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.2 ttp85 -91.69 113.11 25.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 110.267 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.452 ' CD1' ' HB2' ' A' ' 24' ' ' LEU . 24.9 m-85 -107.44 148.55 29.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 111.037 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 9.5 p -132.59 136.18 56.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.331 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.473 ' N ' ' O ' ' A' ' 20' ' ' LYS . 0.4 OUTLIER -110.72 124.33 51.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.352 179.942 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.472 ' CD ' ' HA ' ' A' ' 14' ' ' LEU . 54.3 mtt-85 -117.3 163.11 16.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.273 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.468 ' HE2' ' CG1' ' A' ' 19' ' ' VAL . 1.1 pttt -140.98 140.24 34.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.479 ' N ' ' C ' ' A' ' 45' ' ' PRO . 10.5 t0 49.64 77.64 0.45 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.296 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.479 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.3 Cg_endo -75.04 171.39 68.35 Favored 'Cis proline' 0 C--N 1.361 1.192 0 C-N-CA 120.988 -2.505 . . . . 0.0 110.998 0.036 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.482 ' HB2' ' CG ' ' A' ' 122' ' ' LEU . . . -97.36 99.25 10.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -141.94 160.57 39.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 110.996 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.546 HD22 ' CE2' ' A' ' 64' ' ' PHE . 21.1 tp -133.49 113.9 13.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.266 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.57 ' CD2' ' HA3' ' A' ' 63' ' ' GLY . 54.7 m80 -119.11 165.53 14.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.604 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.591 ' CE2' ' HB ' ' A' ' 61' ' ' VAL . 2.6 p90 -152.88 164.14 38.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 111.007 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.578 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 3.0 m-85 -139.56 139.11 36.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 110.976 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -74.65 125.34 89.72 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.165 0 O-C-N 124.521 1.8 . . . . 0.0 111.013 -179.982 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 8.9 mtp180 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.278 -0.267 . . . . 0.0 110.278 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.578 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 18.4 Cg_endo -74.95 163.98 34.32 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.437 1.756 . . . . 0.0 111.044 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.591 ' HB ' ' CE2' ' A' ' 50' ' ' TYR . 2.4 t -69.28 -32.13 52.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.573 1.171 . . . . 0.0 109.293 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 147.65 74.44 0.02 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.513 1.133 . . . . 0.0 110.97 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.57 ' HA3' ' CD2' ' A' ' 49' ' ' HIS . . . -59.93 167.03 9.42 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.546 ' CE2' HD22 ' A' ' 48' ' ' LEU . 1.3 p90 -133.75 159.5 40.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 0.763 . . . . 0.0 110.962 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 77.0 p -70.81 159.56 34.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.987 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.44 ' O ' ' C ' ' A' ' 67' ' ' ARG . 49.7 mt -114.2 -34.66 5.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.44 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -35.68 -65.83 0.23 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 110.311 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -95.15 51.54 1.89 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.485 1.115 . . . . 0.0 111.0 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 73.2 m -130.82 -179.99 5.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 0.748 . . . . 0.0 109.995 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.534 ' CD1' ' N ' ' A' ' 71' ' ' VAL . 3.1 tm? -155.97 154.13 30.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.534 ' N ' ' CD1' ' A' ' 70' ' ' LEU . 6.6 p -139.25 140.36 37.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.097 . . . . 0.0 109.344 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.414 ' O ' ' HB2' ' A' ' 92' ' ' PHE . 6.9 p -141.13 170.11 16.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.977 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -113.07 135.63 53.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.267 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.455 ' CD1' ' HB2' ' A' ' 91' ' ' LEU . 1.2 mt . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.455 ' HB2' ' CD1' ' A' ' 74' ' ' LEU . 1.0 OUTLIER . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.414 ' HB2' ' O ' ' A' ' 72' ' ' SER . 15.0 p90 -161.29 154.07 20.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 111.039 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.492 ' HE2' ' CG1' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -119.08 163.62 16.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 60.8 t -124.43 101.01 8.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.588 HG21 ' CD2' ' A' ' 101' ' ' HIS . 78.7 mt -85.85 99.93 8.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 2.1 p -76.16 -175.87 3.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.397 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.41 -28.77 67.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 99' ' ' ASP . 1.1 m-20 -87.84 11.66 15.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.519 ' C ' ' CD2' ' A' ' 101' ' ' HIS . 42.7 m-20 40.15 44.37 1.52 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.105 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.555 HG22 ' CE2' ' A' ' 102' ' ' TYR . 3.4 m -70.8 -46.06 63.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 110.413 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.588 ' CD2' HG21 ' A' ' 95' ' ' ILE . 4.7 m170 78.34 89.14 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.601 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.555 ' CE2' HG22 ' A' ' 100' ' ' THR . 49.4 m-85 -99.54 106.85 18.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 110.979 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -73.86 128.83 36.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.985 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.481 ' CG2' ' N ' ' A' ' 105' ' ' GLN . 24.4 mt -137.38 163.91 30.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.481 ' N ' ' CG2' ' A' ' 104' ' ' ILE . 28.7 tt0 -121.75 148.46 44.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.14 . . . . 0.0 110.259 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -100.69 149.26 23.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.54 -48.3 74.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.989 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 109' ' ' LYS . 0.2 OUTLIER -135.98 155.3 50.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.012 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 108' ' ' SER . 22.8 mtmt -40.42 -42.02 1.51 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.8 -57.38 8.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . 0.511 ' HG3' ' CD1' ' A' ' 115' ' ' TRP . 0.2 OUTLIER -39.13 -39.78 0.63 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.105 . . . . 0.0 110.288 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.481 ' CZ ' ' HB3' ' A' ' 112' ' ' ARG . 8.1 ttp-105 -57.88 -70.52 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.273 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.465 ' O ' ' N ' ' A' ' 117' ' ' GLU . . . -41.6 -50.82 4.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.496 ' O ' ' CB ' ' A' ' 118' ' ' ALA . 37.3 mm-40 -56.81 -58.34 8.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.331 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' TRP . . . . . 0.512 ' CE3' ' HG2' ' A' ' 20' ' ' LYS . 33.3 m95 -51.89 -40.65 61.01 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 49.6 mt -68.76 -78.37 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.569 1.168 . . . . 0.0 109.335 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' A' ' 113' ' ' ALA . 2.2 tt0 -38.17 -43.14 0.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.313 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.496 ' CB ' ' O ' ' A' ' 114' ' ' GLU . . . -55.04 -69.96 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 95.9 mt -44.96 -48.78 2.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.294 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.5 ' HG2' ' CG1' ' A' ' 71' ' ' VAL . 33.9 mttt -46.77 -49.31 19.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 16.9 mttt -45.69 -60.38 2.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.482 ' CG ' ' HB2' ' A' ' 46' ' ' ALA . 1.7 mm? -51.07 -55.08 19.39 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.12 . . . . 0.0 109.331 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 46.3 p . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.419 179.986 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.53 ' CD ' ' CE2' ' A' ' 47' ' ' PHE . 2.6 mt-10 -51.64 -41.18 61.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.3 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.446 HD21 ' CD2' ' A' ' 49' ' ' HIS . 0.8 OUTLIER -89.1 14.97 9.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.344 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.7 t -103.43 51.2 0.79 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.033 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -122.96 159.72 17.55 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.489 1.118 . . . . 0.0 111.068 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.1 m -75.06 117.1 16.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 0.762 . . . . 0.0 110.411 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.6 t -48.73 124.18 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.403 ' CG2' ' C ' ' A' ' 42' ' ' ARG . 0.1 OUTLIER -111.16 -28.38 2.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.525 ' HG2' ' CD2' ' A' ' 115' ' ' TRP . 3.3 tttt -159.69 141.01 12.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.502 ' NE2' ' CG2' ' A' ' 40' ' ' VAL . 8.0 mt-30 -145.35 149.59 35.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.339 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 160.63 -171.99 36.89 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.5 1.125 . . . . 0.0 110.983 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.537 ' CE2' ' HB2' ' A' ' 38' ' ' ARG . 54.1 m-85 -115.04 121.48 43.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 0.782 . . . . 0.0 111.017 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.532 ' HB2' ' CD1' ' A' ' 39' ' ' PHE . 14.6 mt -113.52 172.73 6.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.531 ' O ' ' CZ3' ' A' ' 34' ' ' TRP . . . -123.96 102.42 7.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -98.31 130.11 45.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.511 ' HB2' ' CE2' ' A' ' 34' ' ' TRP . 24.3 tt0 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 110.304 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.531 ' CZ3' ' O ' ' A' ' 25' ' ' ALA . 14.0 m95 . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.05 137.26 54.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.4 t -79.62 136.68 23.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 21.9 mmt85 -140.86 156.36 46.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 110.292 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.537 ' HB2' ' CE2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -89.48 103.67 16.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.327 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.532 ' CD1' ' HB2' ' A' ' 24' ' ' LEU . 26.3 m-85 -97.33 131.6 43.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 111.029 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.502 ' CG2' ' NE2' ' A' ' 21' ' ' GLN . 10.7 p -117.71 138.92 46.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.458 ' CD1' ' HB1' ' A' ' 118' ' ' ALA . 0.6 OUTLIER -117.36 134.02 55.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.413 ' NH1' HG12 ' A' ' 40' ' ' VAL . 24.5 mtt85 -134.06 167.96 19.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.302 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 45' ' ' PRO . 0.8 OUTLIER -139.06 148.1 42.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 -179.939 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 45' ' ' PRO . 0.8 OUTLIER 41.53 82.48 0.22 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.445 ' O ' ' N ' ' A' ' 44' ' ' ASP . 18.3 Cg_endo -75.03 174.64 51.67 Favored 'Cis proline' 0 C--N 1.36 1.14 0 C-N-CA 121.015 -2.494 . . . . 0.0 111.003 0.025 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.437 ' CB ' ' HB3' ' A' ' 122' ' ' LEU . . . -99.72 103.53 15.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.328 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.53 ' CE2' ' CD ' ' A' ' 13' ' ' GLU . 7.9 m-85 -154.11 147.82 25.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 110.949 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.423 ' CD1' ' O ' ' A' ' 40' ' ' VAL . 8.2 tp -123.4 113.66 19.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.446 ' CD2' HD21 ' A' ' 14' ' ' LEU . 69.4 m80 -114.5 163.9 14.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.608 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.568 ' CE2' ' HB ' ' A' ' 61' ' ' VAL . 8.1 p90 -148.36 152.39 36.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 111.007 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.523 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 9.6 m-85 -125.18 144.35 50.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 111.005 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -81.91 122.95 80.41 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.166 0 O-C-N 124.506 1.793 . . . . 0.0 110.983 179.993 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.523 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 18.5 Cg_endo -74.95 171.49 18.21 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.464 1.77 . . . . 0.0 111.072 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.568 ' HB ' ' CE2' ' A' ' 50' ' ' TYR . 2.6 t -69.8 -29.24 40.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 130.93 75.47 0.13 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.488 1.118 . . . . 0.0 111.024 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -61.3 -175.98 1.81 Allowed Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -133.7 165.11 25.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 0.77 . . . . 0.0 110.979 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.4 p -71.87 145.76 48.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.987 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.439 ' O ' ' C ' ' A' ' 67' ' ' ARG . 90.7 mt -101.21 -40.18 7.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -34.68 -59.33 0.47 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.317 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -101.7 47.51 1.17 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.505 1.128 . . . . 0.0 111.039 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 36.9 p -118.68 -179.0 3.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 0.752 . . . . 0.0 109.98 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 95' ' ' ILE . 64.5 tp -156.43 146.99 21.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.551 ' CG1' ' HG3' ' A' ' 120' ' ' LYS . 2.5 p -137.39 145.58 29.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.3 m -157.63 162.51 38.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 109.998 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -99.96 148.64 24.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.273 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.9 mt . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 -179.975 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.481 ' CD2' ' HB2' ' A' ' 105' ' ' GLN . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.567 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 10.0 p90 -161.11 159.39 29.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 111.006 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.443 ' HE2' ' CG1' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -122.38 167.02 13.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 78.2 t -127.05 100.64 6.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.446 1.091 . . . . 0.0 109.31 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.523 HG12 ' CG ' ' A' ' 101' ' ' HIS . 52.3 mt -86.51 110.74 20.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 43.4 p -86.99 179.0 6.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 110.386 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 1.9 tttp -60.75 -19.99 60.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.333 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 99' ' ' ASP . 53.4 m-20 -89.3 12.9 14.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.253 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.404 ' O ' ' OD2' ' A' ' 99' ' ' ASP . 4.2 p-10 40.03 43.36 1.28 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.332 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.567 HG21 ' CE1' ' A' ' 102' ' ' TYR . 18.9 m -78.27 -51.49 10.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.378 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.523 ' CG ' HG12 ' A' ' 95' ' ' ILE . 4.9 m170 79.04 94.42 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 109.62 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.567 ' CE1' HG21 ' A' ' 100' ' ' THR . 44.7 m-85 -103.45 112.72 25.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 111.011 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 3.5 m-30 -76.31 125.17 28.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.421 1.075 . . . . 0.0 111.018 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.567 ' HB ' ' CZ ' ' A' ' 92' ' ' PHE . 9.2 mt -131.35 149.17 32.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.481 ' HB2' ' CD2' ' A' ' 91' ' ' LEU . 7.4 tt0 -113.36 141.87 46.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.278 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.48 ' HA ' ' CD2' ' A' ' 24' ' ' LEU . . . -91.84 163.32 14.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.243 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 6.4 t -82.0 -47.08 13.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 110.01 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -124.05 151.27 43.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.097 . . . . 0.0 109.99 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -41.21 -54.93 2.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -58.67 -50.33 74.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.345 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . 0.574 ' HG3' ' CD1' ' A' ' 115' ' ' TRP . 0.6 OUTLIER -41.78 -40.61 2.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.289 179.942 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.497 ' HD2' ' CD1' ' A' ' 116' ' ' ILE . 6.1 tmm_? -61.73 -69.03 0.27 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.283 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -46.24 -46.25 17.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.33 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -61.53 -61.04 2.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 110.323 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' TRP . . . . . 0.574 ' CD1' ' HG3' ' A' ' 111' ' ' GLU . 34.2 m95 -45.63 -32.7 2.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 108.019 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.497 ' CD1' ' HD2' ' A' ' 112' ' ' ARG . 25.9 mt -73.01 -77.73 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 116' ' ' ILE . 0.3 OUTLIER -35.09 -48.79 0.44 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 110.245 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.458 ' HB1' ' CD1' ' A' ' 41' ' ' LEU . . . -47.83 -62.96 1.2 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 20.3 mt -45.77 -54.66 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.303 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.551 ' HG3' ' CG1' ' A' ' 71' ' ' VAL . 0.0 OUTLIER -51.72 -53.32 40.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.14 . . . . 0.0 109.329 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . 0.403 ' HG3' ' O ' ' A' ' 117' ' ' GLU . 19.8 mttt -39.97 -57.38 1.63 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.261 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.437 ' HB3' ' CB ' ' A' ' 46' ' ' ALA . 0.6 OUTLIER -52.5 -56.21 16.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.267 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 50.6 p . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 110.389 -179.958 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.419 ' CG1' ' H ' ' A' ' 13' ' ' GLU . 1.5 p . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.419 ' H ' ' CG1' ' A' ' 12' ' ' VAL . 39.3 mt-10 -62.28 -42.97 99.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.32 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.568 HD22 ' CD2' ' A' ' 49' ' ' HIS . 2.0 mt -87.19 11.4 14.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.348 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.22 60.05 0.62 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 0.0 109.958 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -138.93 172.55 23.07 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.484 1.115 . . . . 0.0 111.017 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.429 ' CB ' ' HD3' ' A' ' 43' ' ' LYS . 13.8 m -76.38 143.2 40.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 0.761 . . . . 0.0 110.4 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.466 ' CG2' ' NE2' ' A' ' 21' ' ' GLN . 2.1 t -76.37 128.41 37.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.509 ' CG1' ' HD2' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -111.57 -41.37 4.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.558 ' HG2' ' CD2' ' A' ' 115' ' ' TRP . 4.6 tptt -148.17 140.15 24.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.466 ' NE2' ' CG2' ' A' ' 18' ' ' VAL . 81.8 mt-30 -142.86 147.8 35.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.301 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 165.32 -169.77 39.97 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.546 1.153 . . . . 0.0 111.042 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.544 ' CE1' ' HB2' ' A' ' 38' ' ' ARG . 85.6 m-85 -115.25 125.91 53.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 0.786 . . . . 0.0 111.001 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.461 ' HB2' ' CD1' ' A' ' 39' ' ' PHE . 20.4 mt -121.03 169.73 10.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 109.281 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -116.7 124.96 50.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.332 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.6 mmmt -98.44 135.59 39.79 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.548 1.155 . . . . 0.0 109.28 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.413 ' HG3' ' NE1' ' A' ' 34' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.3 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.413 ' NE1' ' HG3' ' A' ' 27' ' ' GLN . 31.8 m95 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.1 mtpm? -107.66 129.82 54.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.5 t -73.47 144.55 12.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 24' ' ' LEU . 0.1 OUTLIER -151.06 164.88 35.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 110.272 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.544 ' HB2' ' CE1' ' A' ' 23' ' ' TYR . 1.4 ttp180 -98.72 105.15 17.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.103 . . . . 0.0 110.276 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.461 ' CD1' ' HB2' ' A' ' 24' ' ' LEU . 7.4 m-85 -96.64 136.26 37.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 110.993 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 8.8 p -122.65 140.51 46.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -116.9 118.32 32.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.431 1.082 . . . . 0.0 109.301 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.454 ' NH1' ' O ' ' A' ' 14' ' ' LEU . 1.7 mtp180 -122.15 148.76 44.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.346 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.509 ' HD2' ' CG1' ' A' ' 19' ' ' VAL . 0.0 OUTLIER -122.89 154.58 38.12 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.467 ' N ' ' C ' ' A' ' 45' ' ' PRO . 1.8 t70 44.09 78.58 0.38 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.467 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.3 Cg_endo -75.0 169.75 73.72 Favored 'Cis proline' 0 C--N 1.36 1.161 0 C-N-CA 120.981 -2.508 . . . . 0.0 110.997 -0.014 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.452 ' CB ' HD13 ' A' ' 122' ' ' LEU . . . -92.77 102.74 15.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.44 1.087 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.428 ' CD1' ' HB2' ' A' ' 45' ' ' PRO . 42.4 m-85 -150.16 166.09 30.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 111.031 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.563 HD21 ' CZ ' ' A' ' 64' ' ' PHE . 5.3 tp -141.87 113.31 7.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.568 ' CD2' HD22 ' A' ' 14' ' ' LEU . 60.0 m80 -117.47 166.76 11.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.603 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.544 ' CE1' ' N ' ' A' ' 63' ' ' GLY . 17.7 p90 -147.85 150.66 34.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 0.0 111.015 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.566 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 13.6 m-85 -127.48 153.61 46.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 111.033 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.523 ' N ' ' CG2' ' A' ' 61' ' ' VAL . 15.3 t0 -83.2 124.5 76.16 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.255 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.123 0 O-C-N 124.515 1.797 . . . . 0.0 111.017 179.968 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.472 ' CD ' ' HD2' ' A' ' 60' ' ' PRO . 16.6 tpp180 . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 110.332 -0.247 . . . . 0.0 110.332 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.566 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 18.3 Cg_endo -74.96 165.38 31.47 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.523 1.802 . . . . 0.0 110.952 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.523 ' CG2' ' N ' ' A' ' 52' ' ' ASP . 1.6 t -77.33 -18.74 14.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.277 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 179.68 -128.91 1.28 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.493 1.121 . . . . 0.0 111.015 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.544 ' N ' ' CE1' ' A' ' 50' ' ' TYR . . . 122.67 130.05 3.63 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.563 ' CZ ' HD21 ' A' ' 48' ' ' LEU . 2.6 p90 -117.54 154.19 31.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 0.746 . . . . 0.0 111.01 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.0 t -77.86 135.21 37.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.98 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.471 HD11 ' CB ' ' A' ' 122' ' ' LEU . 69.1 mt -80.63 -42.2 22.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 5.0 mmt180 -45.24 97.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.311 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 99.56 29.98 6.75 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.455 1.097 . . . . 0.0 111.012 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.46 ' N ' ' O ' ' A' ' 66' ' ' LEU . 36.9 m -117.3 -176.84 3.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 0.755 . . . . 0.0 110.04 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.472 ' N ' ' O ' ' A' ' 95' ' ' ILE . 1.1 tm? -151.85 161.64 42.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.269 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.527 ' CG1' ' CG ' ' A' ' 120' ' ' LYS . 7.7 p -149.88 144.44 17.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.7 m -160.2 161.14 33.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 109.956 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -94.23 142.92 26.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.483 ' CD1' ' HB2' ' A' ' 91' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.483 ' HB2' ' CD1' ' A' ' 74' ' ' LEU . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 33.6 p90 -142.12 164.48 30.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.977 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.06 167.59 18.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.471 ' CG1' ' O ' ' A' ' 70' ' ' LEU . 81.5 t -135.48 120.84 29.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.561 HG12 ' CD2' ' A' ' 101' ' ' HIS . 9.0 mt -99.98 119.56 48.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 38.1 p -77.08 -177.62 4.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.45 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.64 -42.68 99.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.345 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.676 ' O ' ' CB ' ' A' ' 99' ' ' ASP . 0.2 OUTLIER -58.51 -51.58 69.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 109.29 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.676 ' CB ' ' O ' ' A' ' 98' ' ' ASP . 0.5 OUTLIER 140.42 -15.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 179.961 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.482 ' O ' ' HA ' ' A' ' 95' ' ' ILE . 52.8 m -42.32 148.37 0.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 110.419 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.561 ' CD2' HG12 ' A' ' 95' ' ' ILE . 47.3 m170 -116.55 113.05 22.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.544 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.46 ' CE1' HG23 ' A' ' 100' ' ' THR . 33.1 m-85 -102.31 111.54 23.87 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.545 1.153 . . . . 0.0 111.007 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -89.86 123.52 33.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 111.003 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.47 ' CG2' ' N ' ' A' ' 105' ' ' GLN . 81.5 mt -129.9 165.18 30.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.47 ' N ' ' CG2' ' A' ' 104' ' ' ILE . 10.8 tt0 -127.66 135.89 50.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.267 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -93.03 -179.73 5.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 0.0 109.269 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 41.2 t -89.19 -30.13 18.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.965 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.6 m -152.61 158.6 42.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.979 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.03 -46.29 21.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.1 . . . . 0.0 109.29 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.89 -44.16 93.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -47.38 -39.53 15.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.155 . . . . 0.0 110.335 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.466 ' O ' ' C ' ' A' ' 113' ' ' ALA . 3.5 mtt-85 -57.67 -76.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.435 1.084 . . . . 0.0 110.26 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.466 ' C ' ' O ' ' A' ' 112' ' ' ARG . . . -35.36 -49.15 0.51 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.274 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.415 ' HB3' ' NZ ' ' A' ' 20' ' ' LYS . 1.3 mm-40 -55.91 -52.81 62.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 110.3 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' TRP . . . . . 0.558 ' CD2' ' HG2' ' A' ' 20' ' ' LYS . 60.1 m95 -65.87 -41.65 91.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 108.04 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.416 ' O ' ' C ' ' A' ' 117' ' ' GLU . 68.7 mt -61.14 -77.17 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.347 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 113' ' ' ALA . 2.7 tt0 -37.3 -51.68 1.07 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -47.68 -53.6 14.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.265 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 24.5 mt -55.62 -54.72 22.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.527 ' CG ' ' CG1' ' A' ' 71' ' ' VAL . 26.5 mttt -47.73 -51.45 22.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 18.8 mttt -43.03 -56.16 3.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 109.34 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.471 ' CB ' HD11 ' A' ' 66' ' ' LEU . 1.0 OUTLIER -54.37 -53.48 53.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 109.285 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 33.6 p . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.408 -179.99 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.407 ' CG1' ' H ' ' A' ' 13' ' ' GLU . 1.6 p . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.407 ' H ' ' CG1' ' A' ' 12' ' ' VAL . 46.2 mt-10 -58.63 -46.06 87.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.259 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.527 HD11 ' CG ' ' A' ' 49' ' ' HIS . 1.4 mm? -80.61 -0.39 37.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.316 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 24.5 t -93.2 55.88 2.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.963 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -135.75 162.61 24.96 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.46 1.1 . . . . 0.0 111.008 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.478 ' CB ' ' HD3' ' A' ' 43' ' ' LYS . 4.2 m -69.74 146.13 51.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 0.773 . . . . 0.0 110.387 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.3 t -82.57 126.62 40.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.148 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.499 ' CG1' ' HD2' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -109.67 -35.0 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.343 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.547 ' HG2' ' CD2' ' A' ' 115' ' ' TRP . 3.2 tptt -152.0 142.14 22.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -144.82 146.08 31.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 110.326 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 164.89 -164.37 36.97 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.5 1.125 . . . . 0.0 111.022 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.516 ' CZ ' ' HD3' ' A' ' 38' ' ' ARG . 57.4 m-85 -117.45 123.23 45.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 0.792 . . . . 0.0 110.984 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.575 ' HB2' ' CD1' ' A' ' 39' ' ' PHE . 35.9 mt -116.16 166.4 12.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.268 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.426 ' CB ' ' HB3' ' A' ' 105' ' ' GLN . . . -116.56 124.1 49.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.47 145.46 27.43 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.321 179.972 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 11.5 m95 . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 21.7 mtpt -137.79 117.31 12.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.284 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.4 t -72.49 139.56 19.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.314 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 4.0 mtt-85 -150.65 160.06 44.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.313 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.516 ' HD3' ' CZ ' ' A' ' 23' ' ' TYR . 0.9 OUTLIER -89.45 107.0 18.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.276 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.575 ' CD1' ' HB2' ' A' ' 24' ' ' LEU . 14.8 m-85 -101.24 134.58 44.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 110.981 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.403 HG11 ' NH2' ' A' ' 42' ' ' ARG . 11.1 p -118.84 140.76 41.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.42 ' CD1' ' HB2' ' A' ' 118' ' ' ALA . 0.4 OUTLIER -112.38 113.64 25.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.27 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.434 ' NH1' HD12 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -115.91 145.48 42.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 110.3 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.499 ' HD2' ' CG1' ' A' ' 19' ' ' VAL . 0.0 OUTLIER -123.46 158.25 31.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 109.291 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.437 ' N ' ' C ' ' A' ' 45' ' ' PRO . 2.0 t0 38.68 79.91 0.3 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.437 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.3 Cg_endo -74.99 165.49 85.8 Favored 'Cis proline' 0 C--N 1.36 1.15 0 C-N-CA 121.019 -2.492 . . . . 0.0 111.021 -0.026 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.466 ' CB ' HD12 ' A' ' 122' ' ' LEU . . . -86.33 100.32 12.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.351 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -146.79 163.8 34.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 111.032 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.8 tp -141.09 113.69 8.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.354 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.527 ' CG ' HD11 ' A' ' 14' ' ' LEU . 70.5 m80 -119.85 161.61 20.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.574 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.575 ' CE2' ' HB ' ' A' ' 61' ' ' VAL . 12.1 p90 -146.62 150.07 34.76 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 111.018 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.569 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 11.2 m-85 -124.66 143.09 50.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.967 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -76.49 135.52 68.74 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.129 0 O-C-N 124.482 1.78 . . . . 0.0 111.02 179.966 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 6.0 mtt-85 . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.569 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 18.3 Cg_endo -75.01 164.82 32.57 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.491 1.785 . . . . 0.0 111.022 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.575 ' HB ' ' CE2' ' A' ' 50' ' ' TYR . 2.8 t -64.02 -29.81 48.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 141.48 71.69 0.03 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.489 1.118 . . . . 0.0 110.951 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -64.33 179.03 7.63 Favored Glycine 0 CA--C 1.531 1.043 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.4 ' CD1' ' N ' ' A' ' 64' ' ' PHE . 1.6 p90 -134.09 157.81 45.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 0.775 . . . . 0.0 111.041 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 12.6 p -75.58 141.9 42.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.0 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 69' ' ' SER . 42.5 mt -95.64 -33.93 12.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 23.7 mmt180 -48.32 99.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.284 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 94.86 26.98 11.72 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.439 1.087 . . . . 0.0 111.0 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 66' ' ' LEU . 52.2 m -111.62 -174.68 2.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 0.747 . . . . 0.0 109.981 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 95' ' ' ILE . 2.9 tm? -155.01 156.6 36.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.496 ' CG1' ' HG2' ' A' ' 120' ' ' LYS . 8.6 p -140.85 145.98 24.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.332 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.3 p -155.52 168.32 27.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.024 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -97.92 168.5 10.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.426 HD22 ' CG ' ' A' ' 93' ' ' LYS . 2.6 mt . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.332 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.486 ' CA ' ' HD3' ' A' ' 112' ' ' ARG . 3.0 mp . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.564 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 45.5 p90 -149.72 164.25 35.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 110.999 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.426 ' CG ' HD22 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -121.03 164.87 16.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 92.5 t -136.4 112.77 12.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.565 HG12 ' CD2' ' A' ' 101' ' ' HIS . 21.4 mt -96.83 102.49 13.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 15.1 p -82.25 -178.69 7.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.374 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 2.2 ptmt -65.78 -11.58 47.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 109.261 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -91.89 17.37 9.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 109.327 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 47.43 35.28 3.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.259 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.556 HG23 ' CE2' ' A' ' 102' ' ' TYR . 98.4 m -105.0 123.4 47.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 110.45 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.565 ' CD2' HG12 ' A' ' 95' ' ' ILE . 16.7 m170 -92.61 101.93 14.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.638 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.556 ' CE2' HG23 ' A' ' 100' ' ' THR . 37.9 m-85 -93.19 103.62 15.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 111.016 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -76.46 108.61 9.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 111.009 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.564 ' HB ' ' CZ ' ' A' ' 92' ' ' PHE . 73.2 mt -114.59 158.31 14.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.426 ' HB3' ' CB ' ' A' ' 25' ' ' ALA . 52.4 tt0 -107.27 165.93 11.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.32 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.477 ' CB ' ' HG3' ' A' ' 112' ' ' ARG . . . -129.03 160.56 32.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.267 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.14 -34.29 74.77 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.48 1.113 . . . . 0.0 109.997 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.67 177.55 11.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.95 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 34.3 mttt -59.1 -35.25 73.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -72.59 -48.1 42.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.28 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -45.53 -38.99 6.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 110.288 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.486 ' HD3' ' CA ' ' A' ' 91' ' ' LEU . 7.6 mtm-85 -56.73 -75.05 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.287 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' A' ' 117' ' ' GLU . . . -35.78 -54.97 0.73 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.236 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.408 ' O ' ' CB ' ' A' ' 118' ' ' ALA . 37.1 mm-40 -52.16 -55.04 23.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 110.281 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' TRP . . . . . 0.547 ' CD2' ' HG2' ' A' ' 20' ' ' LYS . 54.7 m95 -60.44 -47.12 87.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 108.038 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.401 ' O ' ' C ' ' A' ' 117' ' ' GLU . 5.5 mt -59.2 -76.76 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.493 ' N ' ' O ' ' A' ' 113' ' ' ALA . 2.8 tt0 -37.69 -47.88 1.01 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 110.28 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.42 ' HB2' ' CD1' ' A' ' 41' ' ' LEU . . . -49.32 -59.54 3.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 109.281 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 61.8 mt -54.18 -49.49 62.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 109.31 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.496 ' HG2' ' CG1' ' A' ' 71' ' ' VAL . 21.9 mttt -43.44 -52.3 6.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 14.5 mttt -46.84 -59.89 2.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.334 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.466 HD12 ' CB ' ' A' ' 46' ' ' ALA . 0.7 OUTLIER -45.1 -59.37 2.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.348 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 70.9 p . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 110.374 179.993 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.5 p . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.415 ' HB3' ' CD2' ' A' ' 47' ' ' PHE . 1.5 mp0 -63.74 -39.22 93.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 110.301 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.445 HD22 ' CD2' ' A' ' 49' ' ' HIS . 0.5 OUTLIER -85.39 7.05 23.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.6 p -98.66 44.81 1.02 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 109.986 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -117.63 156.7 15.5 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.527 1.142 . . . . 0.0 111.03 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.6 m -70.03 121.05 16.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.449 0.735 . . . . 0.0 110.426 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.42 ' CG1' ' HG3' ' A' ' 21' ' ' GLN . 2.3 t -57.59 122.16 6.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.471 ' CG1' ' HE2' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -110.23 -27.15 2.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.529 1.143 . . . . 0.0 109.258 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.527 ' HG2' ' CD2' ' A' ' 115' ' ' TRP . 2.9 tptt -157.23 141.5 16.38 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.551 1.157 . . . . 0.0 109.361 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.492 ' NE2' ' CG2' ' A' ' 40' ' ' VAL . 6.7 mt-30 -144.93 148.15 33.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.288 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 163.12 -165.01 36.32 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.532 1.145 . . . . 0.0 111.017 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.565 ' CE2' ' HB2' ' A' ' 38' ' ' ARG . 68.8 m-85 -118.28 121.19 39.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 0.785 . . . . 0.0 110.989 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.561 ' HB2' ' CD1' ' A' ' 39' ' ' PHE . 51.2 mt -115.41 167.77 10.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.249 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.445 ' CB ' ' HB3' ' A' ' 105' ' ' GLN . . . -111.39 112.63 24.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.329 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.6 tttt -100.61 100.36 11.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.336 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.52 ' HB2' ' CE3' ' A' ' 34' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.351 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.52 ' CE3' ' HB2' ' A' ' 27' ' ' GLN . 10.1 m95 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.92 126.09 47.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.4 t -74.09 138.49 21.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 13.5 mtt-85 -146.83 153.47 40.2 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.446 1.091 . . . . 0.0 110.305 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.565 ' HB2' ' CE2' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -81.71 102.53 10.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.309 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.561 ' CD1' ' HB2' ' A' ' 24' ' ' LEU . 12.3 m-85 -96.72 134.42 40.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 110.981 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.492 ' CG2' ' NE2' ' A' ' 21' ' ' GLN . 9.4 p -116.67 141.57 34.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.466 ' CD1' ' HB1' ' A' ' 118' ' ' ALA . 0.4 OUTLIER -116.01 120.28 38.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 37.0 mtt-85 -125.24 149.25 48.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.286 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.471 ' HE2' ' CG1' ' A' ' 19' ' ' VAL . 1.4 pttt -126.23 148.22 49.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.481 ' N ' ' C ' ' A' ' 45' ' ' PRO . 44.3 t0 47.84 77.73 0.44 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.138 . . . . 0.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.481 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.4 Cg_endo -74.97 169.62 74.05 Favored 'Cis proline' 0 C--N 1.36 1.176 0 C-N-CA 121.033 -2.486 . . . . 0.0 111.0 -0.044 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.486 ' CB ' HD11 ' A' ' 122' ' ' LEU . . . -95.07 92.84 7.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.415 ' CD2' ' HB3' ' A' ' 13' ' ' GLU . 17.3 m-85 -139.38 155.59 47.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.471 1.107 . . . . 0.0 110.99 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.557 HD23 ' CE2' ' A' ' 64' ' ' PHE . 5.1 tp -132.75 113.72 13.29 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.445 ' CD2' HD22 ' A' ' 14' ' ' LEU . 67.4 m80 -116.35 158.18 23.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.408 1.068 . . . . 0.0 109.611 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 39.4 p90 -143.1 142.44 31.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 111.0 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.466 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 31.0 m-85 -116.39 163.68 15.68 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.535 1.147 . . . . 0.0 111.013 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.572 ' N ' ' CG2' ' A' ' 61' ' ' VAL . 0.0 OUTLIER -91.36 126.87 53.13 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.575 1.172 . . . . 0.0 109.33 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.14 0 O-C-N 124.464 1.77 . . . . 0.0 111.026 179.967 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.462 ' CD ' ' HD2' ' A' ' 60' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.466 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 18.3 Cg_endo -74.95 161.34 39.06 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.488 1.783 . . . . 0.0 110.999 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.572 ' CG2' ' N ' ' A' ' 52' ' ' ASP . 1.1 t -79.05 -12.37 13.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 175.36 -140.54 5.28 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.512 1.132 . . . . 0.0 111.011 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 134.51 125.39 2.55 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.557 ' CE2' HD23 ' A' ' 48' ' ' LEU . 2.5 p90 -115.85 160.33 20.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 0.752 . . . . 0.0 111.005 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.8 p -75.49 156.83 34.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 109.969 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' A' ' 69' ' ' SER . 84.7 mt -114.57 -42.43 3.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.5 105.75 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 110.285 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 89.97 31.21 11.27 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.485 1.115 . . . . 0.0 111.029 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.414 ' N ' ' O ' ' A' ' 66' ' ' LEU . 58.7 m -116.26 -178.86 3.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 0.77 . . . . 0.0 110.016 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 95' ' ' ILE . 12.2 tp -147.34 157.02 43.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.557 ' CG1' ' HG3' ' A' ' 120' ' ' LYS . 2.4 p -138.0 145.21 29.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 23.7 m -148.34 163.51 36.86 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.492 1.12 . . . . 0.0 110.042 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -97.29 161.9 13.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.416 HD13 ' N ' ' A' ' 92' ' ' PHE . 9.4 mt . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.3 mt . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.496 ' CE2' HG23 ' A' ' 104' ' ' ILE . 15.2 p90 -170.76 158.83 6.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 0.0 110.986 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.03 165.22 16.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 78.9 t -129.54 105.36 12.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.577 HG12 ' CD2' ' A' ' 101' ' ' HIS . 80.1 mt -90.39 104.19 15.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 30.3 p -78.71 -174.72 4.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 110.407 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 1.5 ptmt -68.29 -8.76 42.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.342 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -100.29 5.17 44.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.428 ' C ' ' CD2' ' A' ' 101' ' ' HIS . 0.6 OUTLIER 47.15 40.74 10.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.328 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.508 HG22 ' CE2' ' A' ' 102' ' ' TYR . 2.7 m -75.31 -47.76 26.31 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.467 1.104 . . . . 0.0 110.389 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.577 ' CD2' HG12 ' A' ' 95' ' ' ILE . 4.3 m170 78.16 92.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.601 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.508 ' CE2' HG22 ' A' ' 100' ' ' THR . 51.3 m-85 -99.8 117.52 34.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 110.991 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -80.77 131.29 35.41 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 0.0 111.022 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.496 HG23 ' CE2' ' A' ' 92' ' ' PHE . 63.2 mt -141.14 161.51 22.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.445 ' HB3' ' CB ' ' A' ' 25' ' ' ALA . 40.4 tt0 -125.18 151.88 45.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.31 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.466 ' HA ' ' CD2' ' A' ' 24' ' ' LEU . . . -105.98 150.92 25.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.53 -51.24 63.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 110.038 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -125.57 159.29 32.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.979 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 33.6 tttt -45.04 -56.27 4.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.095 . . . . 0.0 109.268 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 111' ' ' GLU . . . -56.46 -52.76 63.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . 0.41 ' HG3' ' CD1' ' A' ' 115' ' ' TRP . 0.2 OUTLIER -38.18 -42.22 0.66 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 0.0 110.347 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 17.4 ttp180 -53.96 -70.85 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.312 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.431 ' O ' ' N ' ' A' ' 117' ' ' GLU . . . -46.81 -42.78 17.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 109.339 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -55.63 -53.7 53.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 110.288 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' TRP . . . . . 0.527 ' CD2' ' HG2' ' A' ' 20' ' ' LYS . 81.4 m95 -63.77 -43.03 97.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 107.999 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.484 HG22 ' CD ' ' A' ' 120' ' ' LYS . 48.7 mt -60.28 -77.14 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.316 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 113' ' ' ALA . 2.1 tt0 -38.37 -38.45 0.37 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 0.0 110.298 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.466 ' HB1' ' CD1' ' A' ' 41' ' ' LEU . . . -57.87 -67.89 0.3 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.43 ' O ' ' C ' ' A' ' 120' ' ' LYS . 8.0 mt -40.37 -60.32 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.557 ' HG3' ' CG1' ' A' ' 71' ' ' VAL . 0.2 OUTLIER -38.67 -41.25 0.68 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 109.252 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 118' ' ' ALA . 12.1 mttt -59.37 -59.18 5.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.117 . . . . 0.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.486 HD11 ' CB ' ' A' ' 46' ' ' ALA . 0.5 OUTLIER -46.92 -59.08 3.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 71.8 p . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 110.416 179.972 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.21 127.27 13.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 0.773 . . . . 0.0 109.933 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.6 p -178.67 126.54 0.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.987 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.0 -69.93 1.3 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.482 1.114 . . . . 0.0 110.955 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -108.3 150.29 27.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 0.779 . . . . 0.0 109.975 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.1 t -42.35 -58.28 2.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.113 . . . . 0.0 109.95 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 117.59 81.11 0.79 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.536 1.147 . . . . 0.0 110.997 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 8.4 t -129.89 -60.38 1.03 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 0.742 . . . . 0.0 110.02 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.1 mt -47.3 171.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.338 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 85.9 p -99.5 139.52 35.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.984 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.458 ' CG2' ' HB2' ' A' ' 14' ' ' LEU . 32.4 m -41.48 161.01 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.532 1.145 . . . . 0.0 110.434 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.43 ' CG2' ' N ' ' A' ' 13' ' ' GLU . 0.2 OUTLIER -141.66 -82.42 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.246 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.596 ' OE2' ' CZ ' ' A' ' 47' ' ' PHE . 2.2 mm-40 -53.16 -40.59 64.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.329 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.522 HD11 ' CG ' ' A' ' 49' ' ' HIS . 1.0 OUTLIER -87.0 10.66 15.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.0 t -100.37 49.3 0.91 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 110.001 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -123.18 158.2 17.77 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.518 1.136 . . . . 0.0 110.985 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.4 m -68.66 119.07 12.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 0.756 . . . . 0.0 110.419 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.4 t -54.5 123.02 4.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 109.282 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.447 ' CG1' ' HE2' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -110.71 -26.57 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 109.311 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.534 ' HG2' ' CD2' ' A' ' 115' ' ' TRP . 2.3 tptt -159.84 142.08 13.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.41 ' NE2' HG23 ' A' ' 40' ' ' VAL . 9.9 mt-30 -146.7 149.76 34.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.327 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 160.42 -163.77 34.14 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.532 1.145 . . . . 0.0 110.996 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.443 ' CZ ' ' HD2' ' A' ' 38' ' ' ARG . 76.6 m-85 -118.75 130.09 55.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 0.779 . . . . 0.0 110.996 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.552 ' HB2' ' CD1' ' A' ' 39' ' ' PHE . 21.0 mt -123.08 170.54 10.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.365 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -120.89 107.34 12.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.563 1.164 . . . . 0.0 109.28 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 59.0 tttt -89.13 141.69 28.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.464 ' HB2' ' CE2' ' A' ' 34' ' ' TRP . 2.3 tt0 -90.64 125.23 35.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.305 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -156.36 143.46 9.74 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.463 1.102 . . . . 0.0 111.016 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 1.3 p-80 -54.31 171.32 0.12 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 0.765 . . . . 0.0 109.596 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.39 154.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.0 175.86 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.32 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.3 tptt -44.62 161.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -42.45 -72.8 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.464 ' CE2' ' HB2' ' A' ' 27' ' ' GLN . 11.6 m0 -115.29 140.12 49.38 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.93 136.17 52.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.268 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.5 t -79.83 130.37 36.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.347 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -136.58 144.91 44.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.298 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.443 ' HD2' ' CZ ' ' A' ' 23' ' ' TYR . 5.1 ttt180 -79.34 108.33 12.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.309 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.552 ' CD1' ' HB2' ' A' ' 24' ' ' LEU . 12.5 m-85 -97.69 142.11 29.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.41 HG23 ' NE2' ' A' ' 21' ' ' GLN . 7.6 p -126.13 138.14 55.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.437 ' N ' ' O ' ' A' ' 20' ' ' LYS . 0.4 OUTLIER -114.74 132.6 56.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.324 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 49.5 mtt-85 -130.69 167.86 18.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 110.306 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.447 ' HE2' ' CG1' ' A' ' 19' ' ' VAL . 4.3 pttt -145.09 140.33 27.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.51 ' N ' ' C ' ' A' ' 45' ' ' PRO . 25.7 t70 49.2 76.59 0.53 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.51 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.3 Cg_endo -74.99 166.41 83.34 Favored 'Cis proline' 0 C--N 1.36 1.17 0 C-N-CA 121.008 -2.497 . . . . 0.0 110.978 0.011 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -97.85 103.74 15.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 109.32 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.596 ' CZ ' ' OE2' ' A' ' 13' ' ' GLU . 9.8 m-85 -148.05 160.68 42.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.094 . . . . 0.0 111.053 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.48 HD23 ' CZ ' ' A' ' 64' ' ' PHE . 10.9 tp -135.7 114.08 11.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.522 ' CG ' HD11 ' A' ' 14' ' ' LEU . 54.9 m80 -118.2 161.7 19.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 0.0 109.614 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.409 ' CE2' ' HB ' ' A' ' 61' ' ' VAL . 32.8 p90 -143.68 141.09 30.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 111.031 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.572 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 7.2 m-85 -117.4 147.14 42.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.962 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.446 ' N ' ' CG2' ' A' ' 61' ' ' VAL . 4.5 t0 -82.36 123.88 78.65 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.147 . . . . 0.0 109.3 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -42.76 0.46 Allowed 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.451 1.764 . . . . 0.0 110.952 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.411 ' N ' ' OD1' ' A' ' 52' ' ' ASP . 34.2 t -48.51 -32.91 8.62 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.142 . . . . 0.0 110.043 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 21.3 mmtp -97.7 -178.31 4.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.117 . . . . 0.0 109.319 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -132.04 77.29 1.75 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 110.306 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -138.37 125.08 20.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 110.245 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.542 ' O ' ' CE2' ' A' ' 51' ' ' TYR . 0.6 OUTLIER -57.63 -50.43 73.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.334 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.8 mtt85 -56.93 149.32 44.83 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.319 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.572 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 18.2 Cg_endo -75.0 162.58 36.89 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.517 1.799 . . . . 0.0 111.003 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.446 ' CG2' ' N ' ' A' ' 52' ' ' ASP . 1.8 t -76.86 -29.86 17.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -158.18 -136.59 2.1 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.528 1.142 . . . . 0.0 111.001 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.448 ' HA3' ' CD2' ' A' ' 49' ' ' HIS . . . 131.45 123.55 2.49 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.019 -0.833 . . . . 0.0 111.019 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.48 ' CZ ' HD23 ' A' ' 48' ' ' LEU . 15.0 p90 -120.14 153.22 36.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 0.769 . . . . 0.0 111.002 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.5 m -60.35 148.67 36.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.023 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.415 ' O ' ' C ' ' A' ' 67' ' ' ARG . 93.6 mt -104.64 -44.88 4.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.2 OUTLIER -37.69 -64.75 0.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 110.316 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -91.58 54.59 3.08 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.443 1.089 . . . . 0.0 110.973 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 10.5 m -140.67 -178.0 5.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 0.767 . . . . 0.0 109.984 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.413 HD11 ' N ' ' A' ' 71' ' ' VAL . 1.4 tm? -149.85 165.14 33.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.16 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.512 ' CG1' ' CG ' ' A' ' 120' ' ' LYS . 7.3 p -149.47 142.55 17.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.6 m -155.01 166.79 32.49 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.511 1.132 . . . . 0.0 110.007 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -99.15 160.72 14.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.305 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.415 ' CD1' ' HB2' ' A' ' 91' ' ' LEU . 3.8 mt -105.69 92.81 4.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -56.78 -46.93 81.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.306 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -43.43 109.81 0.16 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 109.28 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 27.2 t30 -59.55 164.77 3.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 50.16 -99.05 0.03 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.531 1.145 . . . . 0.0 110.933 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -87.39 152.07 51.85 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.515 0.773 . . . . 0.0 109.341 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -81.73 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.463 1.77 . . . . 0.0 110.985 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -136.21 -68.09 0.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.41 1.069 . . . . 0.0 110.369 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -138.97 53.94 0.69 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.518 1.136 . . . . 0.0 111.039 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.4 t -100.1 142.68 15.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.468 0.746 . . . . 0.0 109.329 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 17.5 mmtt -41.34 139.07 1.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.345 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 42.97 -123.95 4.05 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.488 1.118 . . . . 0.0 110.997 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 30.2 p30 -129.26 -179.31 5.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 0.768 . . . . 0.0 109.342 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.504 HG12 ' CD1' ' A' ' 91' ' ' LEU . 62.0 t -145.05 163.23 13.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.488 ' N ' HG12 ' A' ' 87' ' ' VAL . 15.3 mt-30 -56.13 -159.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.323 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.446 ' O ' ' ND2' ' A' ' 90' ' ' ASN . . . -127.91 140.72 12.02 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.501 1.125 . . . . 0.0 110.998 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' ' 89' ' ' GLY . 8.3 m-80 76.8 56.9 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 0.784 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.504 ' CD1' HG12 ' A' ' 87' ' ' VAL . 1.2 mp -104.93 -174.24 2.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.352 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.57 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 8.8 p90 -157.22 149.97 23.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 110.974 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.02 162.5 17.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 67.1 t -128.26 108.36 17.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.469 ' CG2' ' CD2' ' A' ' 101' ' ' HIS . 40.5 mt -88.13 108.16 18.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 2.0 p -82.58 -176.27 6.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 110.404 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.85 -21.07 66.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -93.46 17.17 11.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.442 1.089 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 40.66 44.3 1.79 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 8.5 m -77.51 -51.32 10.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.383 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.471 ' N ' ' CD2' ' A' ' 101' ' ' HIS . 5.9 m170 76.62 91.06 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.607 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 46.7 m-85 -95.07 117.68 30.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 111.004 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -86.53 126.33 34.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.998 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.57 ' HB ' ' CZ ' ' A' ' 92' ' ' PHE . 22.8 mt -134.88 166.56 28.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.153 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.469 ' HB2' ' CD2' ' A' ' 91' ' ' LEU . 4.6 tp60 -127.7 151.87 48.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.274 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.47 ' HA ' ' CD2' ' A' ' 24' ' ' LEU . . . -107.53 153.99 22.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.87 -46.04 74.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.967 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.92 162.88 29.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.005 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 4.3 tttt -50.84 -41.41 57.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.271 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -69.48 -52.47 26.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.356 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -39.62 -39.72 0.78 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.274 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.468 ' CG ' HD12 ' A' ' 116' ' ' ILE . 2.7 ttt-85 -60.04 -72.08 0.12 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.504 1.127 . . . . 0.0 110.288 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.422 ' N ' ' HG2' ' A' ' 112' ' ' ARG . . . -39.78 -38.02 0.61 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -68.18 -53.47 24.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.312 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' TRP . . . . . 0.534 ' CD2' ' HG2' ' A' ' 20' ' ' LYS . 55.0 m95 -59.26 -29.81 67.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 108.009 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.468 HD12 ' CG ' ' A' ' 112' ' ' ARG . 53.8 mt -71.95 -77.12 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.332 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 116' ' ' ILE . 2.5 tt0 -37.34 -40.77 0.37 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.089 . . . . 0.0 110.297 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -55.56 -65.32 0.61 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 81.7 mt -44.95 -56.56 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.512 ' CG ' ' CG1' ' A' ' 71' ' ' VAL . 19.2 mttt -41.51 -52.8 3.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 11.9 mttt -41.09 -60.2 1.28 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.403 HD23 ' CD2' ' A' ' 41' ' ' LEU . 0.3 OUTLIER -52.66 -52.07 57.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' THR . . . . . 0.404 ' O ' ' O ' ' A' ' 120' ' ' LYS . 15.7 p -72.79 177.94 4.51 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 110.354 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 84.3 p -95.55 116.61 29.07 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.133 . . . . 0.0 109.964 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -177.94 -162.13 27.34 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.424 1.077 . . . . 0.0 110.973 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 137.78 22.12 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.476 1.777 . . . . 0.0 110.992 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -170.44 -58.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.019 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 21.9 p -45.43 153.52 0.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.978 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 O-C-N 124.503 1.127 . . . . 0.0 111.025 -179.989 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.415 ' O ' ' N ' ' A' ' 3' ' ' SER . . . . . . . . 0 CA--C 1.529 0.962 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 69.73 -63.1 0.4 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 0.755 . . . . 0.0 109.961 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.415 ' N ' ' O ' ' A' ' 1' ' ' GLY . 86.6 p -41.52 159.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 109.995 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.86 -155.59 1.73 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.536 1.148 . . . . 0.0 111.056 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.1 m 61.42 164.05 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 0.784 . . . . 0.0 109.99 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.7 m -44.61 112.93 0.48 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.008 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.69 -102.75 0.22 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.479 1.112 . . . . 0.0 111.011 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.5 t 63.77 138.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 0.757 . . . . 0.0 110.031 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -112.43 112.5 24.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -177.88 131.87 0.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.038 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.415 HG22 ' N ' ' A' ' 12' ' ' VAL . 53.0 m -66.12 161.77 21.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.39 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.481 ' O ' ' CG ' ' A' ' 45' ' ' PRO . 1.9 p -144.12 -68.34 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.143 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.419 ' H ' ' CG1' ' A' ' 12' ' ' VAL . 70.7 mt-10 -59.05 -45.28 91.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.339 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.546 HD23 ' CD2' ' A' ' 49' ' ' HIS . 1.1 mt -84.95 1.03 49.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.416 ' HB2' ' CA ' ' A' ' 12' ' ' VAL . 0.5 OUTLIER -93.13 52.61 1.82 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.029 179.945 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.428 ' O ' ' NH1' ' A' ' 42' ' ' ARG . . . -127.01 159.36 21.17 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.524 1.14 . . . . 0.0 111.029 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.3 m -72.86 123.25 23.02 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.458 0.74 . . . . 0.0 110.366 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.2 t -56.48 124.54 10.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -111.72 -29.7 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.539 ' HG2' ' CD2' ' A' ' 115' ' ' TRP . 3.2 tttt -154.47 143.22 20.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.465 ' NE2' ' CG2' ' A' ' 40' ' ' VAL . 12.1 mt-30 -146.85 147.92 31.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.29 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 163.04 -173.95 39.3 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.479 1.112 . . . . 0.0 111.031 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.559 ' CE1' ' HB2' ' A' ' 38' ' ' ARG . 83.4 m-85 -112.44 121.84 45.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 0.768 . . . . 0.0 110.979 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.567 ' HB2' ' CD1' ' A' ' 39' ' ' PHE . 17.5 mt -114.88 172.04 7.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -120.39 112.26 18.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.1 tttt -81.02 142.92 32.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.52 ' HA ' ' CE2' ' A' ' 34' ' ' TRP . 6.8 tt0 -41.41 -58.85 1.74 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.557 1.161 . . . . 0.0 110.317 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.52 ' C ' ' CG ' ' A' ' 29' ' ' HIS . . . 111.44 -146.64 17.84 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.536 1.148 . . . . 0.0 110.974 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.52 ' CG ' ' C ' ' A' ' 28' ' ' GLY . 0.0 OUTLIER -165.28 -70.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 0.782 . . . . 0.0 109.615 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.6 mmtt -121.45 134.71 55.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.344 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.1 ttm180 65.57 146.13 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 110.29 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.44 114.12 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -54.72 -61.48 2.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.52 ' CE2' ' HA ' ' A' ' 27' ' ' GLN . 15.9 m95 -139.95 118.16 11.99 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 10.4 tppt? -98.89 148.57 23.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.2 t -88.57 135.13 26.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -138.43 144.71 40.27 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.135 . . . . 0.0 110.289 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.559 ' HB2' ' CE1' ' A' ' 23' ' ' TYR . 0.9 OUTLIER -78.71 105.08 9.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.312 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.567 ' CD1' ' HB2' ' A' ' 24' ' ' LEU . 16.4 m-85 -96.94 136.45 37.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 110.982 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.465 ' CG2' ' NE2' ' A' ' 21' ' ' GLN . 11.2 p -120.17 141.95 38.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.522 HD13 ' CE3' ' A' ' 115' ' ' TRP . 0.6 OUTLIER -117.09 128.2 54.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.253 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.451 ' NH1' ' O ' ' A' ' 14' ' ' LEU . 41.5 mtt-85 -128.34 168.09 16.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 110.333 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 45' ' ' PRO . 0.5 OUTLIER -142.97 147.73 35.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 109.327 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.478 ' N ' ' C ' ' A' ' 45' ' ' PRO . 13.8 t0 48.02 78.31 0.41 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.481 ' CG ' ' O ' ' A' ' 12' ' ' VAL . 18.2 Cg_endo -75.0 172.04 65.04 Favored 'Cis proline' 0 C--N 1.36 1.158 0 C-N-CA 121.014 -2.494 . . . . 0.0 111.011 -0.012 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -95.31 100.79 12.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.31 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.552 ' CE2' ' HB3' ' A' ' 65' ' ' SER . 24.6 m-85 -145.6 166.01 27.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.947 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.504 HD23 ' CZ ' ' A' ' 64' ' ' PHE . 5.0 tp -142.94 113.71 7.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.354 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.546 ' CD2' HD23 ' A' ' 14' ' ' LEU . 63.0 m80 -116.41 165.79 12.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.613 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.483 ' CE1' ' HB ' ' A' ' 61' ' ' VAL . 49.1 p90 -151.36 143.37 23.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.557 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 16.6 m-85 -119.3 157.66 27.65 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.478 1.111 . . . . 0.0 111.031 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -88.61 123.48 67.88 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 0.19 9.19 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.511 1.795 . . . . 0.0 111.016 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -103.38 -57.19 2.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 110.017 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.9 mmpt? -60.21 178.09 0.22 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.261 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -145.9 98.99 3.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -152.39 157.37 41.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 110.292 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -90.81 59.31 4.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.6 ttp180 -178.05 158.54 1.18 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 110.309 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.557 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 18.2 Cg_endo -75.03 160.99 39.41 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.45 1.763 . . . . 0.0 111.002 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.483 ' HB ' ' CE1' ' A' ' 50' ' ' TYR . 3.8 t -77.28 -30.39 17.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.423 ' HA3' ' CZ ' ' A' ' 50' ' ' TYR . . . -158.66 -129.24 1.06 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.475 1.11 . . . . 0.0 111.031 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.464 ' HA3' ' CD2' ' A' ' 49' ' ' HIS . . . 114.2 125.42 4.15 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.517 ' CE2' HD23 ' A' ' 66' ' ' LEU . 13.1 p90 -119.39 153.48 35.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.453 0.737 . . . . 0.0 110.991 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.552 ' HB3' ' CE2' ' A' ' 47' ' ' PHE . 7.0 p -74.37 117.27 15.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.012 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.517 HD23 ' CE2' ' A' ' 64' ' ' PHE . 87.7 mt -66.09 -44.48 84.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 66' ' ' LEU . 14.1 mmt-85 -37.55 110.88 0.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.307 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 78.38 49.54 6.7 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.504 1.128 . . . . 0.0 110.995 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 47.2 m -132.63 -174.68 3.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.566 0.803 . . . . 0.0 109.995 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.466 ' N ' ' O ' ' A' ' 95' ' ' ILE . 17.3 tp -154.88 156.1 35.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.486 ' CG1' ' CG ' ' A' ' 120' ' ' LYS . 4.4 p -141.11 153.1 20.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.2 m -160.63 161.86 32.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.1 . . . . 0.0 109.99 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -105.54 146.81 29.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.304 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.407 ' CB ' ' O ' ' A' ' 90' ' ' ASN . 0.2 OUTLIER -99.05 -174.49 2.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.093 . . . . 0.0 109.268 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 76' ' ' ASP . 3.2 mt-10 -124.54 151.23 44.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 110.288 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 75' ' ' GLU . 18.1 t70 -40.53 -72.24 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.268 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 42.8 -163.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.274 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -121.7 85.53 0.38 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.533 1.146 . . . . 0.0 111.003 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.456 ' CG2' ' HA ' ' A' ' 86' ' ' ASN . 94.7 t 64.52 137.79 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.535 0.785 . . . . 0.0 109.335 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.446 ' HG2' ' CG2' ' A' ' 83' ' ' VAL . 18.2 Cg_endo -75.0 -65.33 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.43 1.753 . . . . 0.0 110.969 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 14.0 m -160.04 -95.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 110.415 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -105.71 74.84 0.23 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.49 1.119 . . . . 0.0 110.981 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.448 HG13 ' CG1' ' A' ' 87' ' ' VAL . 41.6 t -122.31 -72.48 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.504 0.767 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.04 -170.14 0.53 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.422 ' O ' ' CG2' ' A' ' 79' ' ' VAL . . . -40.88 -42.96 3.05 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.471 1.107 . . . . 0.0 110.998 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.456 ' HA ' ' CG2' ' A' ' 79' ' ' VAL . 8.4 t30 167.47 116.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 0.737 . . . . 0.0 109.275 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.448 ' CG1' HG13 ' A' ' 83' ' ' VAL . 4.9 m -54.6 -172.56 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 94.9 mm-40 -65.73 -88.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 110.252 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.493 ' O ' ' CB ' ' A' ' 90' ' ' ASN . . . 179.94 117.92 0.57 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.502 1.126 . . . . 0.0 111.028 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.493 ' CB ' ' O ' ' A' ' 89' ' ' GLY . 4.1 t30 81.55 -65.19 0.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 0.77 . . . . 0.0 109.341 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.469 ' CD2' ' HB2' ' A' ' 105' ' ' GLN . 2.1 mp 38.85 -158.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.15 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.589 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 4.3 p90 -164.38 152.27 12.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.993 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.473 ' HE2' ' CG1' ' A' ' 95' ' ' ILE . 1.2 ptmt -119.17 168.15 11.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.272 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 56.1 t -132.99 100.56 3.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.57 HG12 ' CD2' ' A' ' 101' ' ' HIS . 60.4 mt -84.85 105.43 13.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 73.4 p -82.24 -170.06 2.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.123 . . . . 0.0 110.39 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.16 -14.68 62.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 109.351 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -100.13 12.54 36.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.267 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.577 ' C ' ' CD2' ' A' ' 101' ' ' HIS . 0.5 OUTLIER 46.93 35.69 3.47 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.563 HG23 ' CE2' ' A' ' 102' ' ' TYR . 55.1 m -65.85 -60.56 2.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 110.428 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.577 ' CD2' ' C ' ' A' ' 99' ' ' ASP . 2.7 m170 81.61 93.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.59 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.563 ' CE2' HG23 ' A' ' 100' ' ' THR . 51.2 m-85 -99.14 101.59 12.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 111.021 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -74.28 126.86 31.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.575 1.172 . . . . 0.0 110.995 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.589 ' HB ' ' CZ ' ' A' ' 92' ' ' PHE . 37.0 mt -136.79 168.3 22.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.316 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.469 ' HB2' ' CD2' ' A' ' 91' ' ' LEU . 6.2 tp60 -121.73 149.42 43.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 110.283 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.423 ' HB1' ' NE ' ' A' ' 112' ' ' ARG . . . -106.96 169.02 8.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.352 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.87 -33.58 34.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 110.041 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.425 ' O ' ' N ' ' A' ' 111' ' ' GLU . 0.1 OUTLIER -148.21 149.74 32.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.999 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 108' ' ' SER . 0.0 OUTLIER -40.03 -44.31 1.72 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.68 -48.86 73.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.264 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 108' ' ' SER . 1.0 OUTLIER -42.33 -41.17 2.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.15 . . . . 0.0 110.276 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.476 ' O ' ' C ' ' A' ' 113' ' ' ALA . 0.7 OUTLIER -56.83 -74.27 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.095 . . . . 0.0 110.264 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.529 ' O ' ' N ' ' A' ' 117' ' ' GLU . . . -34.23 -53.63 0.49 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.474 ' O ' ' CB ' ' A' ' 118' ' ' ALA . 46.6 mm-40 -53.29 -52.15 60.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.299 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' TRP . . . . . 0.539 ' CD2' ' HG2' ' A' ' 20' ' ' LYS . 63.4 m95 -65.19 -44.69 87.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 108.034 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.402 ' O ' ' C ' ' A' ' 117' ' ' GLU . 62.1 mt -61.86 -77.84 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.335 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.529 ' N ' ' O ' ' A' ' 113' ' ' ALA . 2.7 tt0 -37.19 -46.57 0.72 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 0.0 110.293 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.474 ' CB ' ' O ' ' A' ' 114' ' ' GLU . . . -48.73 -58.29 5.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 24.0 mt -53.74 -54.06 22.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.486 ' CG ' ' CG1' ' A' ' 71' ' ' VAL . 19.2 mttt -44.82 -41.77 7.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 16.3 mttt -55.86 -61.74 2.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 109.288 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.473 HD22 ' CD1' ' A' ' 66' ' ' LEU . 0.3 OUTLIER -45.92 -52.95 10.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.276 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 67.1 p -67.73 179.57 1.36 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 110.387 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 4.5 m -69.91 123.91 22.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.981 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -141.89 171.97 24.26 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.485 1.116 . . . . 0.0 110.995 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 -53.52 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.456 1.766 . . . . 0.0 111.008 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 7.6 t -56.77 112.94 1.45 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.121 . . . . 0.0 110.023 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 56.4 p -101.68 148.16 25.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.977 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 O-C-N 124.469 1.106 . . . . 0.0 110.97 179.979 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 t -153.27 127.72 9.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 0.758 . . . . 0.0 110.016 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.7 m -132.19 161.07 34.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.002 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 151.73 179.85 27.74 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.49 1.119 . . . . 0.0 111.037 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -157.98 149.92 21.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.561 0.8 . . . . 0.0 109.97 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -153.6 160.5 42.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 110.026 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 66.79 169.54 3.67 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.521 1.138 . . . . 0.0 110.969 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.15 105.45 11.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 0.741 . . . . 0.0 110.033 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 81.6 mt -138.93 143.78 38.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.091 . . . . 0.0 109.318 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.3 84.25 2.6 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.105 . . . . 0.0 109.959 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 15.8 m -104.57 159.89 15.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 110.399 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.404 ' CG1' ' H ' ' A' ' 13' ' ' GLU . 2.4 p -142.98 -64.65 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.404 ' H ' ' CG1' ' A' ' 12' ' ' VAL . 47.6 mt-10 -58.0 -47.63 82.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 110.244 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.556 HD22 ' CD2' ' A' ' 49' ' ' HIS . 0.5 OUTLIER -85.81 9.28 17.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.27 -179.934 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.82 56.81 0.82 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.971 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -129.28 155.97 21.04 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.517 1.136 . . . . 0.0 110.953 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.0 m -67.56 113.74 5.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 0.777 . . . . 0.0 110.402 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.451 ' CG2' ' NH1' ' A' ' 42' ' ' ARG . 2.3 t -50.66 119.69 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.464 ' CG1' ' HE2' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -109.65 -27.6 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.113 . . . . 0.0 109.321 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.524 ' HG2' ' CD2' ' A' ' 115' ' ' TRP . 11.3 tptt -153.6 145.85 23.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.431 ' N ' ' HG3' ' A' ' 20' ' ' LYS . 28.3 mt-30 -152.92 158.84 42.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.281 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 148.39 -163.54 28.97 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.515 1.135 . . . . 0.0 110.996 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.509 ' CZ ' ' HD3' ' A' ' 38' ' ' ARG . 86.9 m-85 -116.38 134.3 55.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 0.76 . . . . 0.0 110.967 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.568 HD21 ' CD1' ' A' ' 115' ' ' TRP . 23.2 mt -128.09 167.94 16.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.311 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.4 ' O ' ' CE3' ' A' ' 34' ' ' TRP . . . -118.87 99.57 6.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 20.7 tttt -89.07 140.73 29.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 109.293 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.447 ' HB2' ' CE2' ' A' ' 34' ' ' TRP . 0.1 OUTLIER -108.28 138.2 44.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.309 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -161.93 -122.48 0.62 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.51 1.131 . . . . 0.0 110.982 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -139.49 119.65 13.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 0.777 . . . . 0.0 109.627 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.06 -58.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.74 -54.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.254 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.3 tptt -92.31 134.36 34.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.263 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 68.9 m-20 -43.25 -56.0 3.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.528 ' CE2' HG11 ' A' ' 87' ' ' VAL . 19.2 m95 -126.71 139.56 53.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 108.021 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -130.13 131.26 45.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.9 t -68.25 138.09 23.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.6 mtm-85 -148.32 140.59 24.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 110.315 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.509 ' HD3' ' CZ ' ' A' ' 23' ' ' TYR . 2.4 ttp85 -77.25 106.61 9.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 0.0 110.286 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.568 ' CD2' ' HB3' ' A' ' 50' ' ' TYR . 13.5 m-85 -96.99 149.53 21.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 110.987 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.6 p -133.79 137.16 53.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.265 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.439 ' HB2' ' CZ3' ' A' ' 115' ' ' TRP . 0.5 OUTLIER -113.41 138.2 50.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.451 ' NH1' ' CG2' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -141.76 155.6 45.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 110.343 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.464 ' HE2' ' CG1' ' A' ' 19' ' ' VAL . 0.5 OUTLIER -129.68 144.66 51.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.282 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.512 ' N ' ' C ' ' A' ' 45' ' ' PRO . 7.7 t70 53.8 76.41 0.53 Allowed Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.498 1.124 . . . . 0.0 109.334 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.512 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.3 Cg_endo -74.98 171.9 65.73 Favored 'Cis proline' 0 C--N 1.359 1.128 0 C-N-CA 120.987 -2.505 . . . . 0.0 111.024 -0.033 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -97.6 92.67 6.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.252 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.42 ' CE2' ' HB3' ' A' ' 65' ' ' SER . 10.5 m-85 -133.5 177.99 7.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.133 . . . . 0.0 110.976 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.428 HD22 ' CZ ' ' A' ' 64' ' ' PHE . 12.6 tp -153.71 113.96 3.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.258 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.556 ' CD2' HD22 ' A' ' 14' ' ' LEU . 65.3 m80 -117.62 167.55 11.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.606 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.568 ' HB3' ' CD2' ' A' ' 39' ' ' PHE . 41.6 p90 -156.28 144.01 19.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.989 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.536 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 5.6 m-85 -121.93 154.85 36.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.975 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.41 ' N ' HG21 ' A' ' 61' ' ' VAL . 6.5 t70 -89.89 127.19 54.88 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.418 1.074 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -2.87 13.09 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.491 1.785 . . . . 0.0 111.048 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.1 m -112.72 24.26 12.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.539 1.149 . . . . 0.0 110.008 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.27 177.05 6.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -148.25 85.1 1.52 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.298 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -155.75 148.34 23.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 110.284 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 23.0 m120 -85.09 50.8 2.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.15 154.33 14.52 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 110.325 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.536 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 18.2 Cg_endo -75.05 160.6 39.8 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.49 1.784 . . . . 0.0 111.001 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.431 ' CG2' ' HA ' ' A' ' 51' ' ' TYR . 4.4 t -77.55 -31.37 17.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.405 ' HA3' ' CZ ' ' A' ' 50' ' ' TYR . . . -157.8 -126.94 0.92 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.512 1.132 . . . . 0.0 110.979 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.414 ' HA3' ' CD2' ' A' ' 49' ' ' HIS . . . 111.93 121.71 4.04 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.014 -0.835 . . . . 0.0 111.014 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.428 ' CZ ' HD22 ' A' ' 48' ' ' LEU . 8.2 p90 -118.82 150.65 39.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 0.771 . . . . 0.0 111.001 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.42 ' HB3' ' CE2' ' A' ' 47' ' ' PHE . 11.4 p -74.56 126.91 31.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.105 . . . . 0.0 109.982 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.464 ' O ' ' N ' ' A' ' 69' ' ' SER . 21.7 mt -73.73 -32.54 63.92 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.145 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 53.9 mmt-85 -46.45 96.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 110.283 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 66' ' ' LEU . . . 96.04 32.31 6.85 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.433 1.083 . . . . 0.0 110.991 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 66' ' ' LEU . 97.7 p -114.45 -176.23 2.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 0.74 . . . . 0.0 110.018 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.462 ' CD1' ' N ' ' A' ' 71' ' ' VAL . 3.4 tm? -153.48 153.4 32.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.48 ' CG1' ' HG2' ' A' ' 120' ' ' LYS . 5.9 p -136.4 139.81 44.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.243 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 33.8 m -153.47 155.12 35.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 109.964 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -93.44 152.03 19.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.5 mt -90.79 163.05 14.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.344 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -73.19 166.8 22.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 110.294 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.45 -53.53 9.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 53.1 m-20 -115.22 164.77 13.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 94.39 128.45 5.23 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.513 1.133 . . . . 0.0 110.982 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 79.9 t -58.75 127.08 82.14 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.508 0.77 . . . . 0.0 109.271 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.472 ' HG2' ' CB ' ' A' ' 83' ' ' VAL . 18.1 Cg_endo -75.03 172.34 16.57 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.538 1.809 . . . . 0.0 110.981 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 17.3 m -63.75 118.82 8.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.432 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 46.62 80.88 0.05 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.531 1.144 . . . . 0.0 110.976 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.472 ' CB ' ' HG2' ' A' ' 80' ' ' PRO . 59.9 t -152.38 109.52 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.491 0.76 . . . . 0.0 109.297 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 9.8 mmtt -75.85 82.52 2.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 115.0 90.02 1.68 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.504 1.128 . . . . 0.0 111.031 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.417 ' N ' ' OD1' ' A' ' 86' ' ' ASN . 5.9 p-10 -40.95 102.66 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 0.75 . . . . 0.0 109.316 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.528 HG11 ' CE2' ' A' ' 34' ' ' TRP . 4.0 m -65.21 -179.72 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -161.94 157.9 24.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.163 . . . . 0.0 110.259 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 116.94 35.36 1.14 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.569 1.168 . . . . 0.0 111.006 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.401 ' O ' ' NE ' ' A' ' 112' ' ' ARG . 12.7 m-20 43.72 53.53 5.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 0.744 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.444 ' CD2' ' HB2' ' A' ' 105' ' ' GLN . 1.3 mp -75.13 -166.45 0.5 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.325 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.555 ' CD1' ' HD3' ' A' ' 112' ' ' ARG . 13.1 p90 -161.72 171.55 17.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.985 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.31 164.01 29.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 72.6 t -122.86 111.93 31.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.567 HG12 ' CD2' ' A' ' 101' ' ' HIS . 77.5 mt -90.82 106.64 17.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 47.3 p -80.96 -179.06 7.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.434 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.08 -12.27 48.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -100.97 13.61 34.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.437 ' C ' ' CD2' ' A' ' 101' ' ' HIS . 1.7 m-20 43.87 42.33 4.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.49 HG21 ' CE2' ' A' ' 102' ' ' TYR . 15.9 m -73.62 -51.09 17.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.427 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.567 ' CD2' HG12 ' A' ' 95' ' ' ILE . 4.9 m170 77.44 84.79 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.61 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.49 ' CE2' HG21 ' A' ' 100' ' ' THR . 36.3 m-85 -91.8 108.46 19.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.949 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.423 ' CE2' HG22 ' A' ' 83' ' ' VAL . 7.1 m-85 -75.35 131.34 40.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 111.026 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.488 ' HB ' ' CZ ' ' A' ' 92' ' ' PHE . 60.7 mt -135.47 164.46 32.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.451 ' N ' ' CG2' ' A' ' 104' ' ' ILE . 38.9 tt0 -134.61 146.37 49.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.315 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.434 ' CB ' ' HA ' ' A' ' 112' ' ' ARG . . . -103.21 170.23 8.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.253 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -85.21 -45.69 11.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 110.028 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.7 m -121.35 147.98 44.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 109.962 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.65 -53.87 2.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.256 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -60.23 -49.74 76.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -43.49 -39.73 3.5 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.451 1.094 . . . . 0.0 110.318 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.622 HH11 ' N ' ' A' ' 113' ' ' ALA . 0.0 OUTLIER -62.52 -70.22 0.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 110.282 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.622 ' N ' HH11 ' A' ' 112' ' ' ARG . . . -44.7 -38.6 4.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -54.32 -68.29 0.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 110.325 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' TRP . . . . . 0.568 ' CD1' HD21 ' A' ' 24' ' ' LEU . 79.2 m95 -46.23 -45.05 16.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 108.029 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.495 HD11 ' CD ' ' A' ' 112' ' ' ARG . 37.2 mt -52.56 -76.63 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.344 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -42.01 -41.93 2.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.308 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.419 ' HB1' ' CD1' ' A' ' 41' ' ' LEU . . . -54.98 -65.18 0.63 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 87.6 mt -44.61 -56.07 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.48 ' HG2' ' CG1' ' A' ' 71' ' ' VAL . 21.6 mttt -40.93 -54.77 2.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 17.6 mttt -41.07 -60.01 1.33 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 124' ' ' SER . 0.8 OUTLIER -49.39 -55.52 12.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.265 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 69.0 p -66.09 71.44 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.429 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 122' ' ' LEU . 0.5 OUTLIER 46.98 86.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 110.01 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -142.57 125.52 2.66 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.518 1.136 . . . . 0.0 111.041 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 156.26 42.95 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.495 1.787 . . . . 0.0 111.005 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 3.1 m -92.5 135.44 34.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 110.013 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -71.93 154.11 41.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.998 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.459 1.099 . . . . 0.0 110.979 179.998 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.9 m -73.54 122.28 21.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 0.757 . . . . 0.0 110.023 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -140.28 -58.42 0.54 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.546 1.154 . . . . 0.0 110.011 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.54 136.59 24.88 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.503 1.127 . . . . 0.0 111.014 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.34 103.95 14.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 0.79 . . . . 0.0 109.985 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.31 106.58 0.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.966 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -91.06 -154.07 30.13 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.502 1.126 . . . . 0.0 111.015 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -116.17 97.84 6.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 0.778 . . . . 0.0 110.007 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -134.06 77.92 1.73 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.261 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 57.51 108.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.975 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.455 ' CG2' ' HB2' ' A' ' 14' ' ' LEU . 1.5 m 69.08 142.86 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 110.41 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.405 ' CG1' ' H ' ' A' ' 13' ' ' GLU . 1.7 p -145.16 -68.06 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.318 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.519 ' HB3' ' CG ' ' A' ' 47' ' ' PHE . 72.4 mt-10 -64.7 -34.71 78.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.285 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.506 ' CD1' ' N ' ' A' ' 14' ' ' LEU . 2.4 mp -81.63 -9.73 59.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 109.313 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.36 61.84 5.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.148 . . . . 0.0 110.002 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -132.98 157.54 22.69 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.525 1.141 . . . . 0.0 111.037 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.4 m -67.72 119.49 12.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 0.771 . . . . 0.0 110.403 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.2 t -59.38 124.28 13.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 0.0 109.335 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -112.41 -32.01 2.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.517 ' HG2' ' CD2' ' A' ' 115' ' ' TRP . 5.0 tptt -151.09 141.19 22.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.331 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.415 ' NE2' HG23 ' A' ' 40' ' ' VAL . 7.1 mt-30 -145.58 153.72 41.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.117 . . . . 0.0 110.278 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 156.43 -163.93 32.27 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.541 1.151 . . . . 0.0 111.025 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.449 ' CE1' ' HB2' ' A' ' 38' ' ' ARG . 82.2 m-85 -118.76 126.15 51.21 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.548 0.793 . . . . 0.0 111.01 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.569 ' HB2' ' CD1' ' A' ' 39' ' ' PHE . 25.1 mt -117.64 169.24 9.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -117.22 106.51 13.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 25.8 tttm -87.9 108.78 19.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.142 . . . . 0.0 109.302 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.48 ' HG3' ' CE2' ' A' ' 34' ' ' TRP . 0.0 OUTLIER -59.26 144.15 47.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.436 1.085 . . . . 0.0 110.3 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -148.91 -145.72 4.19 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.515 1.135 . . . . 0.0 111.003 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -141.36 135.22 30.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 0.776 . . . . 0.0 109.556 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 73.7 148.63 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.573 1.171 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.2 mtt180 53.0 82.67 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.289 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.0 mmtp 68.08 143.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 32.6 m-20 -78.96 -49.2 13.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.312 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.48 ' CE2' ' HG3' ' A' ' 27' ' ' GLN . 82.1 m95 -113.67 113.87 25.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 108.031 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.13 122.45 42.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.152 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.6 t -73.18 142.57 14.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.5 tpp180 -152.05 152.29 32.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.58 1.175 . . . . 0.0 110.315 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.449 ' HB2' ' CE1' ' A' ' 23' ' ' TYR . 0.5 OUTLIER -83.18 103.3 12.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 110.285 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.569 ' CD1' ' HB2' ' A' ' 24' ' ' LEU . 11.2 m-85 -96.46 138.06 34.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.449 1.093 . . . . 0.0 111.005 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.485 ' CG1' ' O ' ' A' ' 49' ' ' HIS . 14.6 p -122.64 136.45 59.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.47 ' CD1' ' HB3' ' A' ' 20' ' ' LYS . 0.5 OUTLIER -109.58 119.32 39.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 109.326 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.417 ' NH1' ' HB3' ' A' ' 14' ' ' LEU . 46.5 mtt180 -119.95 155.57 32.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.117 . . . . 0.0 110.294 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 45' ' ' PRO . 0.4 OUTLIER -136.29 144.71 44.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.483 ' N ' ' C ' ' A' ' 45' ' ' PRO . 0.2 OUTLIER 47.92 78.05 0.42 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.262 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.483 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.3 Cg_endo -75.01 171.84 66.06 Favored 'Cis proline' 0 C--N 1.36 1.146 0 C-N-CA 120.997 -2.501 . . . . 0.0 111.012 0.001 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -98.15 105.48 17.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 109.258 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.519 ' CG ' ' HB3' ' A' ' 13' ' ' GLU . 21.0 m-85 -153.29 148.59 26.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 110.974 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.594 HD23 ' CZ ' ' A' ' 64' ' ' PHE . 9.4 tp -123.61 113.82 19.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 109.337 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.485 ' O ' ' CG1' ' A' ' 40' ' ' VAL . 75.5 m80 -121.99 153.23 38.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 109.627 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.425 ' HA ' ' O ' ' A' ' 38' ' ' ARG . 22.7 p90 -139.04 149.22 44.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.568 1.167 . . . . 0.0 110.97 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.524 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 23.7 m-85 -124.17 155.12 39.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 110.973 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.442 ' OD2' ' N ' ' A' ' 55' ' ' LYS . 21.4 t0 -80.4 126.68 78.23 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.286 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 1.51 7.67 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.514 1.797 . . . . 0.0 110.976 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.0 m -104.83 -47.82 3.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.976 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.442 ' N ' ' OD2' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -70.74 -177.06 1.46 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -156.98 97.45 1.68 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 110.312 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -161.17 150.0 16.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.125 . . . . 0.0 110.262 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -76.54 62.94 1.98 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.494 ' CD ' ' HD2' ' A' ' 60' ' ' PRO . 0.0 OUTLIER -171.54 140.49 1.21 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.315 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.524 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 18.4 Cg_endo -74.98 157.22 42.97 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.501 1.79 . . . . 0.0 111.046 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.438 ' CG2' ' HA ' ' A' ' 51' ' ' TYR . 2.3 t -67.71 -26.08 34.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -166.5 -111.77 0.25 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.454 1.096 . . . . 0.0 111.017 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 100.3 131.81 7.51 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.594 ' CZ ' HD23 ' A' ' 48' ' ' LEU . 30.9 p90 -127.96 156.44 42.66 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 0.79 . . . . 0.0 110.992 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 20.8 p -63.08 165.57 6.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.548 1.155 . . . . 0.0 109.999 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 54.3 mt -119.89 -39.45 2.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 109.263 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.453 ' NH1' ' O ' ' A' ' 122' ' ' LEU . 0.0 OUTLIER -42.04 -59.04 1.88 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 110.259 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -98.28 54.94 1.12 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 19.6 m -145.05 -176.74 5.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 0.736 . . . . 0.0 110.024 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.424 HD21 ' N ' ' A' ' 71' ' ' VAL . 1.8 tt -153.21 158.3 41.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.537 ' CG1' ' HG3' ' A' ' 120' ' ' LYS . 7.6 p -133.14 153.1 36.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 74.0 m -162.08 155.59 20.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.977 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -92.55 158.8 15.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 6.7 mt -104.99 150.12 25.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.27 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 174.42 122.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.254 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -179.19 65.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.5 t30 74.23 -67.22 0.27 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.428 1.08 . . . . 0.0 109.262 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -156.9 -75.99 0.02 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.473 1.108 . . . . 0.0 110.978 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 68.0 t -68.25 135.22 91.24 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.528 0.781 . . . . 0.0 109.348 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -68.69 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.493 1.786 . . . . 0.0 110.987 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.7 m -153.48 -77.82 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 110.42 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -112.59 65.5 0.26 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.5 1.125 . . . . 0.0 111.013 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 79.7 t -139.18 99.24 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.44 0.729 . . . . 0.0 109.325 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.05 154.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 62.24 -95.27 0.11 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.506 1.129 . . . . 0.0 111.011 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 5.1 p30 171.5 138.13 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 0.768 . . . . 0.0 109.315 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.3 m -60.08 177.11 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.442 1.089 . . . . 0.0 109.297 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 50.0 mm-40 -70.17 -80.21 0.05 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.102 . . . . 0.0 110.306 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 167.07 152.37 7.36 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.473 1.108 . . . . 0.0 110.997 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 62.6 m-80 47.66 54.61 9.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 0.749 . . . . 0.0 109.319 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.1 mp -105.14 -169.78 1.66 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.53 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 8.9 p90 -161.62 154.97 21.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 110.964 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.487 ' HE2' ' CG ' ' A' ' 101' ' ' HIS . 0.0 OUTLIER -123.13 164.91 17.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.327 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.559 HG12 ' CE2' ' A' ' 64' ' ' PHE . 58.1 t -129.31 117.03 42.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.569 HG12 ' CD2' ' A' ' 101' ' ' HIS . 11.2 mt -95.61 108.84 21.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 18.8 p -83.46 179.03 7.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.417 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.93 -19.44 51.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.38 10.49 17.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 33.4 t70 55.9 31.66 18.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.11 . . . . 0.0 109.304 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 60.1 m -97.03 120.28 37.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.4 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.569 ' CD2' HG12 ' A' ' 95' ' ' ILE . 15.4 m170 -86.95 109.38 19.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 109.658 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -98.11 102.92 14.8 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 1.132 . . . . 0.0 111.013 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -73.82 123.36 24.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 111.04 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.53 ' HB ' ' CZ ' ' A' ' 92' ' ' PHE . 47.6 mt -133.86 146.59 31.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.466 ' N ' HG21 ' A' ' 104' ' ' ILE . 47.7 tt0 -105.9 146.71 29.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.288 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.468 ' HA ' ' CD2' ' A' ' 24' ' ' LEU . . . -102.75 155.71 18.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 14.7 t -53.11 -50.85 63.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 109.99 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -134.46 -178.84 5.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.998 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.21 -31.69 72.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -77.7 -50.42 12.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.498 ' HG3' ' CD1' ' A' ' 115' ' ' TRP . 0.6 OUTLIER -45.18 -37.98 4.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 110.29 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.458 ' CG ' HD11 ' A' ' 116' ' ' ILE . 3.1 ttp180 -58.67 -68.48 0.26 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 110.321 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -45.28 -42.24 9.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -64.19 -53.14 54.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 110.299 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' TRP . . . . . 0.517 ' CD2' ' HG2' ' A' ' 20' ' ' LYS . 55.7 m95 -58.6 -32.18 68.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 108.027 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.476 HG23 ' CD ' ' A' ' 120' ' ' LYS . 75.5 mt -74.64 -75.85 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 116' ' ' ILE . 2.3 tt0 -34.76 -43.69 0.19 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 110.318 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.72 -63.75 1.05 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.332 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.425 ' O ' ' C ' ' A' ' 120' ' ' LYS . 38.8 mt -43.75 -59.84 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.537 ' HG3' ' CG1' ' A' ' 71' ' ' VAL . 0.0 OUTLIER -38.87 -49.12 1.63 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.327 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -49.31 -60.87 2.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 109.311 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.453 ' O ' ' NH1' ' A' ' 67' ' ' ARG . 1.1 mm? -50.08 -56.68 9.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.284 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' THR . . . . . 0.415 ' O ' ' CB ' ' A' ' 124' ' ' SER . 23.0 p -74.01 84.3 1.77 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 110.377 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' SER . . . . . 0.415 ' CB ' ' O ' ' A' ' 123' ' ' THR . 0.2 OUTLIER 79.8 101.3 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.98 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 164.47 70.33 0.02 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.444 1.09 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 109.4 2.92 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.517 1.798 . . . . 0.0 111.004 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.6 m 56.77 93.93 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 110.032 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 24.9 p -157.5 -54.65 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.103 . . . . 0.0 109.976 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.526 1.141 . . . . 0.0 111.003 179.998 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 64.87 145.35 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 0.752 . . . . 0.0 109.988 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.5 p -102.01 134.38 45.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 110.004 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 116.37 129.47 4.39 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.491 1.119 . . . . 0.0 111.01 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.45 150.94 0.45 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 0.797 . . . . 0.0 109.992 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -156.92 121.0 4.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.993 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.35 -172.48 28.76 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.546 1.154 . . . . 0.0 111.005 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.4 m 54.75 96.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 0.793 . . . . 0.0 109.991 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -147.26 106.3 3.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 38.1 m -48.03 102.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.988 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.433 ' CG2' ' HB2' ' A' ' 14' ' ' LEU . 4.4 m -42.64 161.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 110.419 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.491 ' O ' ' CG ' ' A' ' 45' ' ' PRO . 1.1 p -147.25 -75.21 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.528 ' OE1' ' CE2' ' A' ' 47' ' ' PHE . 41.0 mt-10 -61.77 -42.48 99.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.338 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.582 ' CD2' ' CG ' ' A' ' 49' ' ' HIS . 5.7 mt -80.91 -6.75 59.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.15 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.403 ' OG ' ' O ' ' A' ' 12' ' ' VAL . 13.7 p -88.53 48.36 1.62 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 110.012 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -121.04 155.81 16.25 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.507 1.129 . . . . 0.0 110.997 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.8 m -70.16 128.21 35.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 0.737 . . . . 0.0 110.383 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.1 t -62.5 121.46 11.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.313 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.403 ' CG1' ' HE2' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -111.97 -31.71 2.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.534 ' HG2' ' CD2' ' A' ' 115' ' ' TRP . 2.5 tptt -149.51 141.17 23.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.458 ' NE2' ' CG2' ' A' ' 40' ' ' VAL . 6.4 mt-30 -146.99 151.36 36.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.288 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 156.57 -177.84 33.33 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.502 1.127 . . . . 0.0 111.016 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.471 ' CZ ' ' HD3' ' A' ' 38' ' ' ARG . 42.5 m-85 -106.86 134.46 49.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.564 0.803 . . . . 0.0 111.025 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.498 ' CD2' ' O ' ' A' ' 105' ' ' GLN . 15.4 mt -127.49 172.48 10.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.335 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -115.27 102.03 9.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 53.1 tttt -90.29 104.38 16.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.107 . . . . 0.0 109.314 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.413 ' HB2' ' CE2' ' A' ' 34' ' ' TRP . 4.2 tt0 -45.3 -60.39 2.16 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.519 1.137 . . . . 0.0 110.269 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 45.88 71.18 0.53 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.452 1.095 . . . . 0.0 110.973 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.427 ' CD2' ' C ' ' A' ' 29' ' ' HIS . 7.0 t-160 -49.17 110.68 0.39 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 0.776 . . . . 0.0 109.578 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.82 -44.24 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.332 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.42 ' NH1' ' HB3' ' A' ' 31' ' ' ARG . 1.7 mtp-105 -157.92 -55.12 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 110.285 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.69 121.83 33.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.463 ' O ' ' CD1' ' A' ' 34' ' ' TRP . 25.6 m120 -44.16 -54.66 5.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.324 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.592 ' CE2' ' CG1' ' A' ' 87' ' ' VAL . 39.3 m95 -147.3 135.01 21.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 108.014 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.16 135.37 39.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.1 t -65.09 141.18 18.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 109.276 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.45 ' HB2' ' NH1' ' A' ' 37' ' ' ARG . 0.0 OUTLIER -147.69 134.57 20.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 110.274 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.471 ' HD3' ' CZ ' ' A' ' 23' ' ' TYR . 0.2 OUTLIER -75.33 103.86 5.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 110.302 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -97.26 134.45 40.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 110.989 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.484 ' O ' ' CD1' ' A' ' 48' ' ' LEU . 12.0 p -118.76 141.04 40.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.34 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.475 ' CD1' ' HB3' ' A' ' 20' ' ' LYS . 0.4 OUTLIER -115.97 133.83 55.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 75.4 mtt-85 -133.33 173.26 11.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 45' ' ' PRO . 2.0 pttt -149.65 143.64 25.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.296 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.493 ' N ' ' C ' ' A' ' 45' ' ' PRO . 15.2 t0 50.55 77.14 0.48 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 109.321 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.493 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.1 Cg_endo -75.07 171.49 67.83 Favored 'Cis proline' 0 C--N 1.36 1.133 0 C-N-CA 121.017 -2.493 . . . . 0.0 110.98 0.056 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.426 ' CB ' HD11 ' A' ' 122' ' ' LEU . . . -97.71 105.67 17.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.357 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.528 ' CE2' ' OE1' ' A' ' 13' ' ' GLU . 25.8 m-85 -152.45 167.82 27.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 111.005 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.578 HD21 ' CE1' ' A' ' 64' ' ' PHE . 5.7 tp -142.23 113.64 7.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.582 ' CG ' ' CD2' ' A' ' 14' ' ' LEU . 54.3 m80 -116.23 165.3 13.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.609 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.624 ' C ' ' CD1' ' A' ' 51' ' ' TYR . 4.1 p90 -145.48 -175.31 4.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.984 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.624 ' CD1' ' C ' ' A' ' 50' ' ' TYR . 29.5 m-85 -157.94 148.35 20.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 111.036 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -82.28 122.5 79.29 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -11.78 21.41 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.502 1.79 . . . . 0.0 111.006 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 18.0 t -80.4 -28.99 37.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 110.027 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.5 mmtp -97.87 -172.08 2.3 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.436 1.085 . . . . 0.0 109.298 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -150.91 99.09 2.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 110.262 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -155.71 163.58 39.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.306 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -95.53 23.11 6.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 18.7 mmt85 -129.86 145.8 58.65 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 110.295 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.572 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 18.4 Cg_endo -74.95 159.81 41.07 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.481 1.779 . . . . 0.0 111.002 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.423 ' CG2' ' HA ' ' A' ' 51' ' ' TYR . 2.8 t -75.32 -30.37 22.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.354 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -163.81 -117.07 0.4 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.471 1.107 . . . . 0.0 111.024 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.421 ' HA3' ' CD2' ' A' ' 49' ' ' HIS . . . 114.22 129.38 4.81 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.578 ' CE1' HD21 ' A' ' 48' ' ' LEU . 16.5 p90 -123.64 162.11 23.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 0.771 . . . . 0.0 111.016 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.3 p -74.82 156.54 36.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 109.997 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.413 ' O ' ' C ' ' A' ' 67' ' ' ARG . 54.2 mt -108.98 -36.42 6.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.2 OUTLIER -37.84 -70.44 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.308 179.929 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -90.73 53.36 3.36 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.518 1.136 . . . . 0.0 111.02 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 36.8 m -132.82 -174.96 3.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 0.76 . . . . 0.0 110.016 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.497 ' CD1' ' N ' ' A' ' 71' ' ' VAL . 3.2 tm? -155.74 154.7 31.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.497 ' N ' ' CD1' ' A' ' 70' ' ' LEU . 7.5 p -138.39 140.39 39.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.9 m -148.86 164.7 33.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.011 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -100.33 160.53 14.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.4 mt -103.97 136.27 43.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 109.284 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -172.81 174.73 3.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.305 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 70.84 -61.85 0.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.312 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -91.4 126.54 36.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 109.286 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -60.68 -95.88 0.01 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.499 1.124 . . . . 0.0 111.039 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.424 HG21 ' CB ' ' A' ' 86' ' ' ASN . 72.2 t -75.93 137.81 69.42 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.517 0.775 . . . . 0.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.467 ' HG2' ' CG2' ' A' ' 83' ' ' VAL . 18.2 Cg_endo -75.01 -177.81 3.73 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.478 1.778 . . . . 0.0 110.989 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 83' ' ' VAL . 7.2 m -49.7 124.46 9.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.405 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.409 ' O ' ' O ' ' A' ' 83' ' ' VAL . . . 51.88 -89.06 0.01 OUTLIER Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.474 1.109 . . . . 0.0 111.015 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.467 ' CG2' ' HG2' ' A' ' 80' ' ' PRO . 6.9 t 41.51 91.18 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.467 0.745 . . . . 0.0 109.288 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 83' ' ' VAL . 12.2 mmtt -38.89 -61.42 0.74 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -67.58 -145.57 0.1 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.521 1.138 . . . . 0.0 110.966 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.424 ' CB ' HG21 ' A' ' 79' ' ' VAL . 4.3 p30 175.79 107.04 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.565 0.803 . . . . 0.0 109.333 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.592 ' CG1' ' CE2' ' A' ' 34' ' ' TRP . 6.8 m -87.97 -172.26 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.329 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.406 ' O ' ' CD1' ' A' ' 91' ' ' LEU . 2.3 pp0? -162.89 -171.9 2.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.313 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 92.98 -71.98 1.42 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.47 1.107 . . . . 0.0 110.996 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.408 ' HB3' ' NH1' ' A' ' 112' ' ' ARG . 11.7 m120 -170.87 -62.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 0.773 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.473 HD21 ' CG ' ' A' ' 105' ' ' GLN . 1.1 mp 51.54 -176.05 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.505 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 37.9 p90 -163.2 160.28 23.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 111.023 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.75 159.4 26.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.45 HG13 ' CE2' ' A' ' 64' ' ' PHE . 59.1 t -129.51 113.73 28.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.573 HG12 ' CD2' ' A' ' 101' ' ' HIS . 12.9 mt -92.56 103.79 14.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.265 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 81.1 p -81.51 177.01 9.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.421 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.89 -19.05 10.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -89.19 15.29 9.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 51.14 23.59 1.64 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.1 . . . . 0.0 109.331 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 89.0 m -88.71 122.12 31.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.379 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.573 ' CD2' HG12 ' A' ' 95' ' ' ILE . 15.1 m170 -88.9 105.79 17.98 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.546 1.154 . . . . 0.0 109.569 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 -94.91 101.96 13.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.569 1.168 . . . . 0.0 110.99 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -77.66 121.23 23.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.934 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.505 ' HB ' ' CZ ' ' A' ' 92' ' ' PHE . 61.4 mt -126.37 166.64 22.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.498 ' O ' ' CD2' ' A' ' 24' ' ' LEU . 16.9 tt0 -121.29 148.95 43.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.327 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -112.66 157.22 21.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.02 -51.98 62.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 109.984 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -134.37 -175.96 4.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 110.012 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.19 -36.71 84.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -72.93 -51.51 18.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -45.09 -36.54 3.67 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 110.338 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.46 ' CG ' HD12 ' A' ' 116' ' ' ILE . 17.5 ttp180 -59.3 -67.88 0.33 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 110.319 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 117' ' ' GLU . . . -46.44 -45.67 18.28 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -49.51 -57.86 6.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 110.3 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' TRP . . . . . 0.534 ' CD2' ' HG2' ' A' ' 20' ' ' LYS . 72.9 m95 -59.62 -45.67 91.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 108.039 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.46 HD12 ' CG ' ' A' ' 112' ' ' ARG . 42.5 mt -56.17 -77.59 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 113' ' ' ALA . 2.2 tt0 -39.66 -41.32 1.04 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 110.307 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.472 ' HB2' ' CD1' ' A' ' 41' ' ' LEU . . . -54.24 -56.5 17.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 10.4 mt -57.04 -51.85 63.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.496 ' CG ' ' CG1' ' A' ' 71' ' ' VAL . 19.3 mttt -44.79 -36.37 3.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.132 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . 0.445 ' CG ' ' O ' ' A' ' 117' ' ' GLU . 11.3 mttt -60.64 -61.04 2.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.293 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.426 HD11 ' CB ' ' A' ' 46' ' ' ALA . 0.8 OUTLIER -47.39 -58.84 3.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.112 . . . . 0.0 109.271 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 43.1 p -54.97 -39.6 69.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.438 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 4.8 t 167.22 96.4 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 109.995 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . 0.427 ' CA ' ' HA ' ' A' ' 121' ' ' LYS . . . -97.42 122.43 7.45 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.528 1.143 . . . . 0.0 110.989 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 164.52 33.17 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.511 1.795 . . . . 0.0 111.005 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 99.0 p -76.68 121.99 24.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.981 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 57.76 169.77 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 110.007 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 O-C-N 124.483 1.114 . . . . 0.0 110.987 179.994 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.66 127.98 33.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 0.762 . . . . 0.0 110.022 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.8 p -113.89 157.42 22.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.983 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.06 176.88 17.01 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.3 t -175.38 156.99 2.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 0.756 . . . . 0.0 109.982 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.63 -58.72 0.29 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 109.985 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 117.04 143.57 7.61 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.478 1.111 . . . . 0.0 111.01 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -174.89 -58.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 0.787 . . . . 0.0 109.99 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 62.77 58.71 1.52 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.9 t -164.51 102.7 0.82 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.008 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.426 HG22 ' N ' ' A' ' 15' ' ' SER . 63.8 m -92.24 166.31 12.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 110.373 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.483 ' O ' ' CG ' ' A' ' 45' ' ' PRO . 0.7 OUTLIER -148.14 -76.47 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.426 ' N ' HG23 ' A' ' 12' ' ' VAL . 43.9 mt-10 -55.69 -43.52 76.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.323 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.559 HD22 ' CD2' ' A' ' 49' ' ' HIS . 0.9 OUTLIER -84.38 -13.29 52.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.426 ' N ' HG22 ' A' ' 11' ' ' THR . 9.4 t -81.63 62.35 5.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.437 1.086 . . . . 0.0 109.996 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.404 ' HA2' ' O ' ' A' ' 44' ' ' ASP . . . -141.55 170.47 24.74 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.526 1.141 . . . . 0.0 110.98 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.474 ' CB ' ' HD3' ' A' ' 43' ' ' LYS . 6.6 m -76.84 144.33 39.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 0.769 . . . . 0.0 110.369 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.1 t -80.43 128.59 38.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.289 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.497 ' CG1' ' HD2' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -111.31 -43.45 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.315 179.928 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.536 ' HG2' ' CD2' ' A' ' 115' ' ' TRP . 4.3 tptt -144.96 140.52 28.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 -145.23 148.95 34.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.433 1.083 . . . . 0.0 110.302 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 162.85 -160.15 32.57 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.446 1.091 . . . . 0.0 110.993 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.554 ' CE2' ' HB2' ' A' ' 38' ' ' ARG . 68.9 m-85 -119.77 121.5 39.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 0.762 . . . . 0.0 111.015 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.558 ' HB2' ' CD1' ' A' ' 39' ' ' PHE . 39.6 mt -114.18 169.45 9.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -118.5 106.35 12.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 109.25 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 60.8 tttt -88.67 113.98 24.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.516 ' HB2' ' CE2' ' A' ' 34' ' ' TRP . 42.7 tt0 -41.71 121.67 1.8 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 110.268 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.55 -44.41 96.61 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.501 1.126 . . . . 0.0 111.006 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 7.6 t-160 73.33 -71.73 0.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 0.778 . . . . 0.0 109.552 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 31' ' ' ARG . 1.4 tptt -97.53 -70.67 0.71 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.143 . . . . 0.0 109.318 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -38.6 -58.94 0.98 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 0.0 110.284 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.89 -171.32 3.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.113 . . . . 0.0 109.266 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.431 ' O ' ' CD1' ' A' ' 34' ' ' TRP . 69.7 m-80 -72.73 -67.64 0.54 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.312 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.578 ' CZ2' HG13 ' A' ' 87' ' ' VAL . 24.6 m95 -144.18 129.52 18.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 108.051 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.93 136.85 53.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.279 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.4 t -82.61 139.43 17.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.5 ttp180 -149.9 149.3 30.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.291 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.554 ' HB2' ' CE2' ' A' ' 23' ' ' TYR . 9.9 ttp180 -78.67 102.91 8.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.436 1.085 . . . . 0.0 110.351 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.558 ' CD1' ' HB2' ' A' ' 24' ' ' LEU . 16.2 m-85 -95.83 140.41 30.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 111.039 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.0 p -123.48 137.93 55.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.429 ' N ' ' O ' ' A' ' 20' ' ' LYS . 0.7 OUTLIER -112.28 114.77 27.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.446 ' NH1' ' O ' ' A' ' 14' ' ' LEU . 1.7 mtt180 -117.22 150.28 39.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.329 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.497 ' HD2' ' CG1' ' A' ' 19' ' ' VAL . 0.0 OUTLIER -124.77 154.25 41.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.44 ' N ' ' C ' ' A' ' 45' ' ' PRO . 1.2 t70 41.33 79.8 0.31 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.265 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.483 ' CG ' ' O ' ' A' ' 12' ' ' VAL . 18.4 Cg_endo -74.97 170.33 72.12 Favored 'Cis proline' 0 C--N 1.36 1.174 0 C-N-CA 120.979 -2.509 . . . . 0.0 111.026 -0.049 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.422 ' O ' ' CD1' ' A' ' 47' ' ' PHE . . . -95.13 106.7 18.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 109.258 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.422 ' CD1' ' O ' ' A' ' 46' ' ' ALA . 45.5 m-85 -152.34 178.38 9.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.984 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.559 HD21 ' CE1' ' A' ' 64' ' ' PHE . 10.0 tp -151.96 119.57 6.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.559 ' CD2' HD22 ' A' ' 14' ' ' LEU . 65.5 m80 -125.09 163.8 21.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 109.587 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.612 ' C ' ' CD1' ' A' ' 51' ' ' TYR . 1.8 p90 -139.55 -177.39 4.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.964 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.612 ' CD1' ' C ' ' A' ' 50' ' ' TYR . 32.3 m-85 -158.71 146.16 17.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 111.003 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.403 ' HB3' ' HB2' ' A' ' 55' ' ' LYS . 62.8 t0 -78.53 123.86 85.5 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 0.31 9.08 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.521 1.801 . . . . 0.0 111.009 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 11.2 t -101.55 -48.42 4.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 110.034 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.403 ' HB2' ' HB3' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -67.86 -176.5 0.67 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.258 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -151.7 103.1 2.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 110.304 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -158.83 173.55 16.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.313 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 73.1 m-80 -102.7 27.64 6.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.337 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 41.2 mmt-85 -140.39 148.83 55.42 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.462 1.101 . . . . 0.0 110.364 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.548 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 18.3 Cg_endo -74.97 162.51 37.06 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.537 1.809 . . . . 0.0 111.047 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.462 ' CG2' ' HA ' ' A' ' 51' ' ' TYR . 2.1 t -70.88 -28.1 32.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -167.92 -118.22 0.43 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.457 1.098 . . . . 0.0 111.038 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.498 ' HA3' ' CD2' ' A' ' 49' ' ' HIS . . . 113.27 134.19 5.97 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.559 ' CE1' HD21 ' A' ' 48' ' ' LEU . 11.3 p90 -128.38 161.87 28.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 0.752 . . . . 0.0 110.996 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -75.91 150.44 37.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.987 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 67' ' ' ARG . 29.1 mt -102.67 -32.32 9.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 109.29 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -38.25 -57.91 1.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 110.297 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -102.87 42.92 1.78 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.479 1.112 . . . . 0.0 110.989 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.6 p -121.31 -174.37 2.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 0.775 . . . . 0.0 110.013 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 95' ' ' ILE . 0.8 OUTLIER -155.26 168.52 26.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.567 ' CG1' ' HG3' ' A' ' 120' ' ' LYS . 8.1 p -153.44 145.49 14.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.327 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.411 ' N ' HG23 ' A' ' 71' ' ' VAL . 13.7 m -161.63 160.81 29.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.991 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -93.9 135.78 34.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.569 HD21 ' CE2' ' A' ' 103' ' ' TYR . 1.6 mt -72.24 107.7 5.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.132 . . . . 0.0 109.25 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -99.58 -170.39 1.89 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 110.335 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.8 t70 56.47 89.41 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 109.298 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -44.2 163.5 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 98.59 173.37 32.22 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.501 1.126 . . . . 0.0 111.018 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.491 HG21 ' CA ' ' A' ' 86' ' ' ASN . 90.8 t -68.0 121.75 81.14 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.466 0.744 . . . . 0.0 109.336 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.472 ' HG2' ' CG2' ' A' ' 83' ' ' VAL . 18.4 Cg_endo -75.01 131.96 14.86 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.472 1.775 . . . . 0.0 110.982 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 83.3 m 43.95 -107.77 0.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.368 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -132.69 46.37 1.07 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.513 1.133 . . . . 0.0 110.96 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.472 ' CG2' ' HG2' ' A' ' 80' ' ' PRO . 11.6 t -62.83 -16.18 16.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.536 0.786 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 12.9 mttt 50.32 65.23 1.5 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 109.309 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 132.65 92.36 0.52 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.485 1.116 . . . . 0.0 111.022 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.491 ' CA ' HG21 ' A' ' 79' ' ' VAL . 11.4 t30 -39.69 117.54 0.75 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 0.787 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.578 HG13 ' CZ2' ' A' ' 34' ' ' TRP . 2.5 m -53.9 -172.87 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.265 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -61.64 -99.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.558 1.161 . . . . 0.0 110.295 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -104.28 -109.26 3.37 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.464 1.103 . . . . 0.0 110.966 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -88.15 -62.53 1.47 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 0.77 . . . . 0.0 109.296 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.421 ' HB2' ' CD1' ' A' ' 74' ' ' LEU . 1.9 mp 65.62 -171.06 0.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.329 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.561 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 27.8 p90 -151.71 165.51 34.15 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.135 . . . . 0.0 110.965 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.411 ' HE3' ' CG1' ' A' ' 95' ' ' ILE . 0.0 OUTLIER -121.86 166.75 13.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 76.6 t -132.6 100.7 4.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.266 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.488 HG12 ' CG ' ' A' ' 101' ' ' HIS . 40.7 mt -85.54 117.54 30.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.125 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 44.0 p -88.69 -166.65 1.65 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.575 1.172 . . . . 0.0 110.439 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.05 -9.71 59.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 0.0 109.308 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -100.6 4.3 43.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.488 ' C ' ' CD2' ' A' ' 101' ' ' HIS . 1.8 t70 56.38 36.6 27.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.272 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.542 HG21 ' CE2' ' A' ' 102' ' ' TYR . 50.2 m -70.09 -57.38 5.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 110.43 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.488 ' CD2' ' C ' ' A' ' 99' ' ' ASP . 4.0 m170 79.88 94.93 0.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.097 . . . . 0.0 109.573 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.542 ' CE2' HG21 ' A' ' 100' ' ' THR . 59.6 m-85 -103.21 115.34 30.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 110.998 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.569 ' CE2' HD21 ' A' ' 74' ' ' LEU . 3.5 m-85 -81.19 114.57 20.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 111.021 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.561 ' HB ' ' CZ ' ' A' ' 92' ' ' PHE . 66.2 mt -117.48 165.19 13.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.442 ' N ' ' CG2' ' A' ' 104' ' ' ILE . 66.0 tt0 -121.15 158.52 27.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.281 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.457 ' HA ' ' CD2' ' A' ' 24' ' ' LEU . . . -114.45 151.12 33.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.294 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 42.9 t -52.32 -48.68 65.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 110.005 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.4 156.43 47.6 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 109.988 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.43 -38.94 0.9 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -68.87 -58.8 3.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.464 ' HG3' ' CD1' ' A' ' 115' ' ' TRP . 0.8 OUTLIER -39.17 -39.36 0.59 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.322 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.436 ' HA ' ' CB ' ' A' ' 106' ' ' ALA . 16.2 ttp180 -56.42 -70.94 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 110.293 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -41.0 -49.68 3.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.289 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 38.5 mm-40 -58.17 -59.4 5.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 110.293 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' TRP . . . . . 0.536 ' CD2' ' HG2' ' A' ' 20' ' ' LYS . 40.1 m95 -49.5 -36.29 22.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.122 . . . . 0.0 108.025 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.465 ' CG2' ' HE2' ' A' ' 120' ' ' LYS . 86.2 mt -71.46 -74.49 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 116' ' ' ILE . 2.5 tt0 -34.92 -42.82 0.17 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.276 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -56.8 -64.39 0.89 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 0.0 109.314 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.46 HG23 ' CG1' ' A' ' 71' ' ' VAL . 89.9 mt -42.52 -61.08 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.544 1.152 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.567 ' HG3' ' CG1' ' A' ' 71' ' ' VAL . 1.6 mptp? -37.53 -54.03 1.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.333 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 11.4 mttt -42.82 -57.29 2.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.427 ' O ' ' N ' ' A' ' 124' ' ' SER . 0.4 OUTLIER -51.77 -56.19 15.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 80.9 p -63.61 78.52 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.478 1.111 . . . . 0.0 110.377 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' SER . . . . . 0.427 ' N ' ' O ' ' A' ' 122' ' ' LEU . 0.2 OUTLIER 74.14 138.23 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.988 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -53.0 131.49 41.12 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.483 1.114 . . . . 0.0 110.99 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 166.77 28.43 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.508 1.794 . . . . 0.0 110.954 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 15.0 t -136.25 111.68 9.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.0 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 52.5 m -87.68 -60.81 1.87 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.978 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.553 1.158 . . . . 0.0 110.966 179.997 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.438 ' O ' ' N ' ' A' ' 3' ' ' SER . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.3 p 47.56 -94.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 0.78 . . . . 0.0 109.982 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 1' ' ' GLY . 6.6 t 72.78 -60.36 0.54 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.003 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.77 128.22 4.7 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.475 1.11 . . . . 0.0 110.982 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 t -152.08 168.45 25.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 0.762 . . . . 0.0 109.977 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -162.92 158.16 22.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.986 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.8 92.21 0.11 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.451 1.094 . . . . 0.0 110.998 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 37.6 m -79.2 159.46 27.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 0.733 . . . . 0.0 110.003 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.7 tp -113.69 91.24 3.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 43.17 73.62 0.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.004 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 15.1 m 68.21 166.09 0.25 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 110.374 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.418 HG22 ' N ' ' A' ' 13' ' ' GLU . 0.8 OUTLIER -150.69 -76.17 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.259 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.573 ' HG2' ' CE2' ' A' ' 47' ' ' PHE . 42.1 mt-10 -61.06 -40.94 95.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.314 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.558 HD22 ' CE1' ' A' ' 49' ' ' HIS . 3.2 mt -84.21 4.67 29.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 10.2 t -106.09 62.79 0.66 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.981 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -134.12 169.61 22.89 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.481 1.113 . . . . 0.0 111.041 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 43' ' ' LYS . 1.8 m -79.03 123.4 27.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 0.761 . . . . 0.0 110.405 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.424 ' CG1' ' HG3' ' A' ' 21' ' ' GLN . 2.2 t -60.1 124.13 13.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.241 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -110.49 -26.52 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 109.291 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.533 ' HG2' ' CD2' ' A' ' 115' ' ' TRP . 2.6 tptt -158.77 140.94 13.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.424 ' HG3' ' CG1' ' A' ' 18' ' ' VAL . 20.6 mt-30 -146.55 145.2 30.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 110.306 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 163.45 -167.04 37.5 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.503 1.127 . . . . 0.0 111.009 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.508 ' CZ ' ' HD3' ' A' ' 38' ' ' ARG . 27.4 m-85 -115.15 121.36 42.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 0.775 . . . . 0.0 111.004 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.46 HD23 ' CD1' ' A' ' 115' ' ' TRP . 60.0 mt -116.91 167.12 11.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -113.13 124.86 53.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 44.1 tttm -109.44 131.7 54.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.511 ' HB2' ' CE2' ' A' ' 34' ' ' TRP . 0.6 OUTLIER -82.84 125.57 31.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.266 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -140.98 -109.56 0.79 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.512 1.132 . . . . 0.0 111.029 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.438 ' CD2' ' H ' ' A' ' 30' ' ' LYS . 7.8 t60 -131.82 -163.04 1.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 0.758 . . . . 0.0 109.61 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.438 ' H ' ' CD2' ' A' ' 29' ' ' HIS . 0.0 OUTLIER 73.88 144.23 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 109.324 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.4 -179.12 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 110.237 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.0 mptt 67.95 165.46 0.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.261 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 28.0 m-20 -59.23 -162.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.344 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.519 ' CE2' HG12 ' A' ' 87' ' ' VAL . 17.0 m0 -59.38 -176.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 107.969 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.25 129.76 52.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -76.96 115.82 19.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 0.0 109.368 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.497 ' NH1' ' CD1' ' A' ' 50' ' ' TYR . 0.0 OUTLIER -122.43 148.51 45.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.249 -179.945 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.508 ' HD3' ' CZ ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -82.12 103.91 12.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 110.289 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.443 ' CD1' ' HB2' ' A' ' 24' ' ' LEU . 20.1 m-85 -96.89 138.9 33.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.988 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.6 p -124.35 139.08 51.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.336 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.432 ' CD2' HD23 ' A' ' 122' ' ' LEU . 0.8 OUTLIER -115.59 132.5 56.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.408 ' NH1' HD21 ' A' ' 14' ' ' LEU . 10.8 mtt180 -131.74 167.41 19.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 110.302 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 17' ' ' THR . 0.5 OUTLIER -142.17 141.2 32.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 109.301 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.491 ' N ' ' C ' ' A' ' 45' ' ' PRO . 9.1 t0 51.36 77.24 0.47 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.491 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.3 Cg_endo -74.98 169.62 74.05 Favored 'Cis proline' 0 C--N 1.36 1.165 0 C-N-CA 120.98 -2.508 . . . . 0.0 111.028 -0.014 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.416 ' HB1' ' CG ' ' A' ' 122' ' ' LEU . . . -98.85 100.54 11.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.573 ' CE2' ' HG2' ' A' ' 13' ' ' GLU . 13.6 m-85 -144.68 167.76 21.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 111.0 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.518 HD21 ' CZ ' ' A' ' 64' ' ' PHE . 11.7 tp -141.46 114.56 8.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 109.33 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.558 ' CE1' HD22 ' A' ' 14' ' ' LEU . 53.7 m80 -117.81 156.54 28.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.589 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.497 ' CD1' ' NH1' ' A' ' 37' ' ' ARG . 24.5 p90 -141.09 140.92 34.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 111.014 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.488 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 28.8 m-85 -112.93 158.3 20.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 110.969 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.577 ' N ' ' CG2' ' A' ' 61' ' ' VAL . 1.1 p30 -97.74 123.84 50.35 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -43.3 0.42 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.489 1.784 . . . . 0.0 111.015 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.2 t -46.35 -40.05 11.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.011 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -90.07 -171.82 3.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.255 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -149.2 100.8 3.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 110.281 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -153.81 163.36 40.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 110.355 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 -94.3 22.34 6.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.305 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 23.3 mmt85 -133.99 152.21 78.11 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 110.257 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.488 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 18.3 Cg_endo -74.98 170.5 20.28 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.494 1.786 . . . . 0.0 110.981 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.577 ' CG2' ' N ' ' A' ' 52' ' ' ASP . 0.3 OUTLIER -87.13 -20.19 7.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.442 1.089 . . . . 0.0 109.316 179.93 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -171.86 -137.62 2.37 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.507 1.129 . . . . 0.0 110.983 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 134.55 121.9 2.2 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.518 ' CZ ' HD21 ' A' ' 48' ' ' LEU . 1.9 p90 -116.9 163.25 16.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 0.768 . . . . 0.0 110.999 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 12.1 p -73.52 153.84 40.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.108 . . . . 0.0 110.03 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 99.3 mt -108.81 -42.37 4.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.38 -32.21 7.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 110.283 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -117.55 49.33 0.87 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.475 1.109 . . . . 0.0 110.968 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 26.2 m -145.67 -174.7 4.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 0.75 . . . . 0.0 110.036 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.46 ' N ' ' O ' ' A' ' 95' ' ' ILE . 0.7 OUTLIER -152.9 169.33 23.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.16 . . . . 0.0 109.287 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.482 ' CG1' ' HG2' ' A' ' 120' ' ' LYS . 11.3 p -147.52 149.09 15.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.329 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.5 m -160.55 167.07 27.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.992 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -93.63 161.74 14.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.454 ' C ' ' CG ' ' A' ' 75' ' ' GLU . 12.8 mt -107.17 -85.82 0.5 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.454 ' CG ' ' C ' ' A' ' 74' ' ' LEU . 2.2 pt-20 41.48 86.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 110.302 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -121.56 -42.34 2.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.343 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 164.03 -61.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -151.56 -143.19 3.66 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.526 1.141 . . . . 0.0 111.03 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 91.2 t -41.82 124.7 2.51 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.488 0.757 . . . . 0.0 109.275 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -82.17 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.547 1.814 . . . . 0.0 110.977 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 3.5 m -145.12 118.16 8.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.444 1.09 . . . . 0.0 110.357 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 38.54 71.94 0.22 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.451 1.095 . . . . 0.0 110.996 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.472 ' CG2' ' NE2' ' A' ' 27' ' ' GLN . 15.8 t -123.62 125.65 71.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.554 0.797 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 13.2 mmtt -45.99 -75.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 109.331 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -61.43 -137.52 0.01 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.526 1.141 . . . . 0.0 110.971 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -173.23 80.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 0.775 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.519 HG12 ' CE2' ' A' ' 34' ' ' TRP . 4.5 m -67.02 176.11 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.433 ' O ' ' O ' ' A' ' 89' ' ' GLY . 1.3 pp0? -158.3 -43.27 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.299 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.546 ' O ' ' CD1' ' A' ' 91' ' ' LEU . . . -42.69 168.36 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.494 1.121 . . . . 0.0 110.983 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.407 ' O ' ' O ' ' A' ' 91' ' ' LEU . 86.7 m-20 -42.17 -44.22 3.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 0.757 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.546 ' CD1' ' O ' ' A' ' 89' ' ' GLY . 1.2 mt 48.38 -176.24 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.563 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 20.3 p90 -173.73 145.27 1.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 111.007 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.468 ' CD ' HG13 ' A' ' 95' ' ' ILE . 0.0 OUTLIER -106.67 167.06 10.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 109.298 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 71.0 t -135.71 106.21 5.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 0.0 109.253 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.522 HG12 ' CD2' ' A' ' 101' ' ' HIS . 51.6 mt -85.15 109.27 17.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.158 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 7.3 p -87.58 177.34 7.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.412 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 6.3 tttt -58.57 -24.86 61.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.309 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -84.86 7.35 21.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.276 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 44.8 42.45 6.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 2.7 m -82.33 -49.08 10.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.579 1.174 . . . . 0.0 110.38 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.522 ' CD2' HG12 ' A' ' 95' ' ' ILE . 4.2 m170 79.08 92.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 109.591 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 45.2 m-85 -94.12 126.77 39.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 111.023 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.443 ' CD2' HD11 ' A' ' 74' ' ' LEU . 5.2 m-85 -89.85 127.53 36.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 110.992 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.563 ' HB ' ' CZ ' ' A' ' 92' ' ' PHE . 60.0 mt -134.67 161.19 40.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.275 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.417 ' N ' ' CG2' ' A' ' 104' ' ' ILE . 3.5 tp60 -119.62 151.68 38.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.309 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.478 ' CB ' ' HB2' ' A' ' 112' ' ' ARG . . . -106.0 153.55 21.86 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 109.365 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.18 -44.83 90.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.04 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -133.28 166.61 22.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.999 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 2.9 mptt -56.12 -26.15 48.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.112 . . . . 0.0 109.285 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -84.17 -52.88 5.91 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 0.0 109.265 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.447 ' HG3' ' CD1' ' A' ' 115' ' ' TRP . 0.7 OUTLIER -39.83 -40.85 1.04 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.271 -179.933 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.478 ' HB2' ' CB ' ' A' ' 106' ' ' ALA . 2.7 ttp180 -60.57 -72.9 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.31 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -41.42 -33.22 0.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -74.17 -50.51 18.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.309 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' TRP . . . . . 0.533 ' CD2' ' HG2' ' A' ' 20' ' ' LYS . 58.7 m95 -62.93 -24.02 67.66 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.431 ' CG2' ' HE2' ' A' ' 120' ' ' LYS . 63.5 mt -79.85 -77.1 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 116' ' ' ILE . 2.1 tt0 -37.74 -43.23 0.64 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 110.274 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.81 -59.07 5.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 109.323 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 35.8 mt -50.45 -56.69 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 0.0 109.275 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.482 ' HG2' ' CG1' ' A' ' 71' ' ' VAL . 18.1 mttt -40.85 -51.85 3.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 13.3 mttt -42.26 -60.31 1.51 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.432 HD23 ' CD2' ' A' ' 41' ' ' LEU . 0.3 OUTLIER -52.75 -53.8 42.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.32 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 22.0 p -70.93 64.65 0.33 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.411 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.3 t -173.04 167.65 4.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.992 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -86.18 -143.31 7.19 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.481 1.113 . . . . 0.0 111.007 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 133.37 16.48 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.507 1.793 . . . . 0.0 111.015 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -152.1 175.32 12.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.02 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -176.75 169.48 2.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 110.004 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.537 1.148 . . . . 0.0 110.998 179.945 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 66.56 161.74 0.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 0.777 . . . . 0.0 110.04 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.1 t -175.82 153.03 1.32 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.023 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.37 172.08 38.39 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.493 1.12 . . . . 0.0 111.002 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.6 -60.98 0.44 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.57 0.806 . . . . 0.0 110.021 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t 64.39 146.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.44 1.088 . . . . 0.0 110.028 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.84 139.64 3.4 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.502 1.127 . . . . 0.0 110.992 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.29 -58.78 1.82 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 0.784 . . . . 0.0 110.026 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -165.47 -68.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.81 126.83 51.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.992 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 61.07 140.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.367 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.406 ' CG1' ' H ' ' A' ' 13' ' ' GLU . 2.4 p -141.47 -64.62 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.554 ' HB3' ' CD2' ' A' ' 47' ' ' PHE . 2.9 mt-10 -83.2 -25.84 31.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.275 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.451 HD13 ' CE1' ' A' ' 49' ' ' HIS . 6.1 mp -83.19 -1.42 52.96 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.35 53.61 2.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.561 1.163 . . . . 0.0 110.083 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -129.01 151.03 18.98 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.506 1.129 . . . . 0.0 110.996 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.446 ' N ' ' O ' ' A' ' 43' ' ' LYS . 1.2 m -68.69 118.9 12.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 0.762 . . . . 0.0 110.432 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.2 t -47.69 121.86 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -109.94 -18.99 7.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.544 ' HG2' ' CD2' ' A' ' 115' ' ' TRP . 3.5 tptt -168.95 140.26 2.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.336 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -142.19 150.27 40.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.456 1.098 . . . . 0.0 110.305 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 159.35 -179.59 34.84 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.525 1.141 . . . . 0.0 111.023 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.431 ' CZ ' ' HD3' ' A' ' 38' ' ' ARG . 53.0 m-85 -111.16 122.77 48.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 0.76 . . . . 0.0 110.992 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.442 ' HB2' ' CD1' ' A' ' 39' ' ' PHE . 9.1 mt -117.28 172.09 7.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -120.25 106.99 12.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.312 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -76.29 148.43 37.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.519 ' HG3' ' CE2' ' A' ' 34' ' ' TRP . 1.0 OUTLIER -120.0 128.48 53.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.234 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.433 ' N ' ' OE1' ' A' ' 27' ' ' GLN . . . 145.06 86.86 0.08 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.445 1.091 . . . . 0.0 111.012 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 1.8 t60 179.22 157.11 0.54 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 0.762 . . . . 0.0 109.624 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.8 tttp -95.51 46.42 1.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.263 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.484 ' O ' ' CB ' ' A' ' 32' ' ' LYS . 0.2 OUTLIER 179.0 101.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.28 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.484 ' CB ' ' O ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER 86.61 -46.28 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.102 . . . . 0.0 109.3 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.1 m120 73.34 -65.11 0.37 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.523 ' CE2' HG11 ' A' ' 87' ' ' VAL . 93.4 m95 -91.09 111.22 22.6 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.46 118.69 26.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.9 t -57.01 130.74 20.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -142.71 148.85 37.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 110.312 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.431 ' HD3' ' CZ ' ' A' ' 23' ' ' TYR . 0.5 OUTLIER -81.23 102.92 10.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 110.282 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.442 ' CD1' ' HB2' ' A' ' 24' ' ' LEU . 24.5 m-85 -96.92 127.9 43.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 0.0 110.977 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.432 ' O ' ' CD1' ' A' ' 48' ' ' LEU . 7.5 p -114.86 141.06 32.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.481 HD11 ' CE3' ' A' ' 115' ' ' TRP . 0.4 OUTLIER -118.47 126.78 52.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.4 ' NH1' ' O ' ' A' ' 14' ' ' LEU . 49.1 mtt-85 -125.93 164.75 20.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.124 . . . . 0.0 110.305 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 17' ' ' THR . 1.6 pttt -138.93 145.57 39.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.16 . . . . 0.0 109.287 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.486 ' N ' ' C ' ' A' ' 45' ' ' PRO . 0.7 OUTLIER 48.98 77.51 0.46 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.357 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.486 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.2 Cg_endo -75.08 170.64 71.31 Favored 'Cis proline' 0 C--N 1.36 1.169 0 C-N-CA 120.996 -2.502 . . . . 0.0 110.958 0.127 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.451 ' CB ' HD11 ' A' ' 122' ' ' LEU . . . -96.59 94.98 7.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.554 ' CD2' ' HB3' ' A' ' 13' ' ' GLU . 12.7 m-85 -141.71 157.41 45.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 111.024 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.543 HD23 ' CZ ' ' A' ' 64' ' ' PHE . 6.6 tp -130.38 113.91 14.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.467 ' CD2' ' HA3' ' A' ' 63' ' ' GLY . 71.4 m80 -115.47 161.95 17.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.647 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.407 ' CE2' ' HB ' ' A' ' 61' ' ' VAL . 26.3 p90 -145.93 144.46 30.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.462 1.102 . . . . 0.0 111.01 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.513 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 12.3 m-85 -120.39 148.5 43.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 111.031 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 47.7 t0 -81.24 122.5 81.4 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -0.08 9.55 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.514 1.797 . . . . 0.0 111.03 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 18.1 m -103.15 -21.7 13.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.014 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.432 ' HG3' ' N ' ' A' ' 56' ' ' GLU . 0.9 OUTLIER -101.5 142.1 33.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.432 ' N ' ' HG3' ' A' ' 55' ' ' LYS . 1.2 mt-10 -108.41 66.13 0.64 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.575 1.172 . . . . 0.0 110.313 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -120.18 144.35 47.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.333 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 38.6 m-20 -82.9 66.93 8.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.318 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 176.8 160.74 0.48 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.431 1.082 . . . . 0.0 110.317 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.513 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 18.3 Cg_endo -74.99 174.38 12.88 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.523 1.802 . . . . 0.0 111.012 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.468 ' CG2' ' HA ' ' A' ' 51' ' ' TYR . 1.8 t -92.63 -24.13 5.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -164.51 -119.52 0.48 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.519 1.137 . . . . 0.0 110.987 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.467 ' HA3' ' CD2' ' A' ' 49' ' ' HIS . . . 116.92 123.93 3.49 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.543 ' CZ ' HD23 ' A' ' 48' ' ' LEU . 1.6 p90 -120.54 157.25 29.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 0.766 . . . . 0.0 111.017 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.423 ' O ' ' OG ' ' A' ' 69' ' ' SER . 5.0 p -69.17 149.0 49.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.983 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.416 ' O ' ' C ' ' A' ' 67' ' ' ARG . 37.8 mt -99.6 -46.63 5.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -36.97 -54.96 0.94 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.516 1.135 . . . . 0.0 110.3 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -99.74 56.56 0.86 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.511 1.132 . . . . 0.0 110.999 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.423 ' OG ' ' O ' ' A' ' 65' ' ' SER . 4.8 m -140.49 -177.92 5.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 0.74 . . . . 0.0 109.967 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.542 ' CD1' ' N ' ' A' ' 71' ' ' VAL . 3.2 tm? -155.89 153.23 29.34 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.554 1.159 . . . . 0.0 109.329 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.542 ' N ' ' CD1' ' A' ' 70' ' ' LEU . 14.7 p -141.1 143.45 28.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.9 m -158.89 163.63 36.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.996 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -96.03 152.08 18.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.117 . . . . 0.0 109.305 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.535 ' CD2' ' CZ ' ' A' ' 103' ' ' TYR . 0.7 OUTLIER -86.08 116.75 24.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.447 1.092 . . . . 0.0 109.264 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -90.32 56.51 3.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.305 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -140.3 141.76 35.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -99.81 -57.69 2.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 109.358 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -70.39 -100.26 0.05 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.509 1.13 . . . . 0.0 110.965 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 5.0 t -104.76 120.0 51.64 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.551 0.795 . . . . 0.0 109.304 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 67.1 5.97 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.488 1.783 . . . . 0.0 111.011 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.459 ' O ' ' N ' ' A' ' 83' ' ' VAL . 30.9 m 45.56 -122.32 1.04 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.38 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.478 ' O ' ' CG2' ' A' ' 83' ' ' VAL . . . -60.61 79.75 0.01 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.458 1.099 . . . . 0.0 111.022 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.478 ' CG2' ' O ' ' A' ' 82' ' ' GLY . 12.7 t -160.13 -43.65 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.472 0.748 . . . . 0.0 109.336 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.4 ' HB2' ' O ' ' A' ' 83' ' ' VAL . 9.7 mttt 68.98 -63.51 0.36 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.267 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 83' ' ' VAL . . . -66.83 82.98 0.11 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.509 1.13 . . . . 0.0 111.011 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.448 ' N ' ' OD1' ' A' ' 86' ' ' ASN . 3.8 p30 -39.17 101.71 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 0.79 . . . . 0.0 109.307 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.523 HG11 ' CE2' ' A' ' 34' ' ' TRP . 11.3 m -85.17 179.26 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 73.0 mm-40 -54.92 -169.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.313 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -124.77 34.78 3.34 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.557 1.16 . . . . 0.0 110.979 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.417 ' ND2' ' HB2' ' A' ' 112' ' ' ARG . 1.6 t30 -152.17 51.41 0.79 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 0.766 . . . . 0.0 109.344 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -121.77 -169.66 1.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.325 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.564 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 23.3 p90 -161.59 173.37 14.87 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.484 1.115 . . . . 0.0 111.009 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.441 ' HE2' ' CG1' ' A' ' 95' ' ' ILE . 0.0 OUTLIER -130.11 154.73 47.19 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 91.4 t -123.33 102.71 11.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.142 . . . . 0.0 109.294 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.57 HG12 ' CD2' ' A' ' 101' ' ' HIS . 25.2 mt -86.12 106.25 15.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.429 HG23 ' CE2' ' A' ' 102' ' ' TYR . 27.2 p -83.94 175.19 9.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 110.378 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 3.2 tttp -59.38 -15.76 18.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.404 ' C ' ' CG ' ' A' ' 99' ' ' ASP . 0.3 OUTLIER -88.67 19.53 3.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.404 ' CG ' ' C ' ' A' ' 98' ' ' ASP . 0.1 OUTLIER 48.22 25.96 0.96 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.283 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.568 HG22 ' CE2' ' A' ' 102' ' ' TYR . 91.6 m -96.23 121.87 38.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 110.386 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.57 ' CD2' HG12 ' A' ' 95' ' ' ILE . 13.6 m170 -90.43 108.21 19.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.602 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.568 ' CE2' HG22 ' A' ' 100' ' ' THR . 54.6 m-85 -100.3 102.63 13.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.968 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.535 ' CZ ' ' CD2' ' A' ' 74' ' ' LEU . 3.2 m-85 -75.53 127.02 32.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.998 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.564 ' HB ' ' CZ ' ' A' ' 92' ' ' PHE . 53.4 mt -125.41 162.3 28.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.45 ' N ' ' CG2' ' A' ' 104' ' ' ILE . 4.9 tt0 -123.47 128.3 49.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 110.332 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.442 ' HA ' ' CD2' ' A' ' 24' ' ' LEU . . . -81.57 169.12 17.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.131 . . . . 0.0 109.336 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 10.5 t -83.18 -46.83 12.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 110.045 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -127.96 174.13 9.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.012 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.79 -59.02 5.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 111' ' ' GLU . . . -54.85 -54.19 45.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.467 ' HG3' ' CD1' ' A' ' 115' ' ' TRP . 0.0 OUTLIER -38.06 -41.5 0.58 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.442 1.089 . . . . 0.0 110.303 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.523 ' CD ' HD13 ' A' ' 116' ' ' ILE . 0.0 OUTLIER -52.61 -71.12 0.07 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 0.0 110.298 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.521 ' N ' HH11 ' A' ' 112' ' ' ARG . . . -55.04 -43.89 74.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.418 1.074 . . . . 0.0 109.292 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.444 ' OE1' ' NZ ' ' A' ' 20' ' ' LYS . 6.7 mt-10 -47.81 -63.33 1.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.14 . . . . 0.0 110.301 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' TRP . . . . . 0.544 ' CD2' ' HG2' ' A' ' 20' ' ' LYS . 80.7 m95 -54.17 -43.66 70.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 108.015 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.523 HD13 ' CD ' ' A' ' 112' ' ' ARG . 35.3 mt -55.27 -78.34 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -39.67 -48.46 2.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 110.296 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.463 ' HB1' ' CD1' ' A' ' 41' ' ' LEU . . . -45.66 -59.58 2.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.478 HG22 ' CG1' ' A' ' 71' ' ' VAL . 5.6 mt -55.48 -42.69 69.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.524 ' HG2' ' CG1' ' A' ' 71' ' ' VAL . 18.9 mttt -58.52 -47.68 83.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 22.8 mttt -49.95 -60.68 2.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.451 HD11 ' CB ' ' A' ' 46' ' ' ALA . 1.1 mm? -47.55 -57.82 4.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 26.0 p -71.88 -179.17 2.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 110.371 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -57.49 -62.92 1.43 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.123 . . . . 0.0 109.967 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 67.33 171.02 4.96 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.489 1.118 . . . . 0.0 110.992 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -43.02 0.43 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.514 1.797 . . . . 0.0 111.009 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 80.0 p -151.81 120.22 6.41 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 109.985 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 3.6 m -154.26 -58.39 0.12 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 110.025 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 O-C-N 124.548 1.155 . . . . 0.0 111.01 -179.985 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.8 m -153.99 167.04 31.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 0.756 . . . . 0.0 110.034 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.3 p -168.82 162.7 11.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.02 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.92 176.33 45.82 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.523 1.139 . . . . 0.0 110.956 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.6 m -154.14 165.24 36.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 0.765 . . . . 0.0 109.981 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -141.56 164.59 29.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.978 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 120.24 -173.33 15.25 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.479 1.112 . . . . 0.0 110.975 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.13 -52.68 33.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 0.766 . . . . 0.0 109.997 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 41.54 90.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 109.256 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -164.32 -69.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.081 . . . . 0.0 110.047 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.417 ' CG2' ' HB2' ' A' ' 14' ' ' LEU . 93.2 m -134.42 155.88 49.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.436 1.085 . . . . 0.0 110.454 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.405 ' CG1' ' H ' ' A' ' 13' ' ' GLU . 2.7 p -140.43 -63.01 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.529 ' HG2' ' CE2' ' A' ' 47' ' ' PHE . 55.2 mt-10 -58.11 -49.37 77.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 110.305 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.553 ' CD1' ' CG ' ' A' ' 49' ' ' HIS . 1.6 mm? -81.67 -1.28 46.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.49 63.84 3.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 110.005 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.473 ' CA ' ' HD2' ' A' ' 45' ' ' PRO . . . -138.2 161.52 25.61 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.504 1.127 . . . . 0.0 110.949 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 33.5 m -68.16 114.11 6.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 0.781 . . . . 0.0 110.359 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.2 t -67.24 115.45 5.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.471 ' CG1' ' HE2' ' A' ' 43' ' ' LYS . 0.3 OUTLIER -102.22 -30.58 3.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.546 ' HG2' ' CD2' ' A' ' 115' ' ' TRP . 8.4 tptt -144.87 146.05 31.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -167.12 129.47 1.7 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.105 . . . . 0.0 110.276 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -169.54 -146.27 4.99 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.466 1.104 . . . . 0.0 110.981 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.543 ' CE1' ' HD3' ' A' ' 38' ' ' ARG . 57.7 m-85 -127.8 109.85 12.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 0.777 . . . . 0.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.486 ' HB2' ' CD1' ' A' ' 39' ' ' PHE . 26.0 mt -105.63 171.46 7.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -124.29 102.06 7.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 29.2 tttt -87.29 119.88 28.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.409 ' NE2' HG11 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -73.85 145.92 44.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.332 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -177.78 172.52 45.18 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.523 1.139 . . . . 0.0 110.949 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.49 ' CG ' ' O ' ' A' ' 29' ' ' HIS . 0.3 OUTLIER -78.92 93.23 5.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 0.786 . . . . 0.0 109.579 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 17.4 tttm -153.13 171.8 17.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 109.293 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.6 -54.31 2.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 110.341 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.1 mtmt -96.72 138.49 34.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -57.21 -55.31 36.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.337 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.551 ' CZ2' HG23 ' A' ' 87' ' ' VAL . 46.8 m95 -116.4 109.39 17.26 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 11.4 mmtt -94.06 130.32 40.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.8 t -78.32 131.12 35.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 109.339 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -138.05 156.53 47.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.298 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.543 ' HD3' ' CE1' ' A' ' 23' ' ' TYR . 1.2 ttp180 -91.35 102.93 15.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.56 1.163 . . . . 0.0 110.321 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.486 ' CD1' ' HB2' ' A' ' 24' ' ' LEU . 23.6 m-85 -96.29 141.42 29.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 111.015 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.472 ' O ' ' CD1' ' A' ' 48' ' ' LEU . 5.4 p -124.51 139.47 50.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.548 ' HB2' ' CZ3' ' A' ' 115' ' ' TRP . 0.0 OUTLIER -114.81 118.5 33.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 109.341 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.416 ' N ' HD21 ' A' ' 41' ' ' LEU . 5.4 mtt-85 -117.51 150.63 38.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 110.268 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.471 ' HE2' ' CG1' ' A' ' 19' ' ' VAL . 0.5 OUTLIER -130.06 148.64 51.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.569 1.168 . . . . 0.0 109.294 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.465 ' N ' ' C ' ' A' ' 45' ' ' PRO . 19.4 t0 40.7 78.96 0.34 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.473 ' HD2' ' CA ' ' A' ' 16' ' ' GLY . 18.2 Cg_endo -75.0 165.47 85.84 Favored 'Cis proline' 0 C--N 1.359 1.12 0 C-N-CA 120.979 -2.509 . . . . 0.0 111.015 -0.035 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.457 ' CB ' HD13 ' A' ' 122' ' ' LEU . . . -93.39 113.36 25.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.529 ' CE2' ' HG2' ' A' ' 13' ' ' GLU . 2.0 m-85 -157.08 157.22 34.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 111.039 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.472 ' CD1' ' O ' ' A' ' 40' ' ' VAL . 23.8 tp -133.47 113.38 12.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.553 ' CG ' ' CD1' ' A' ' 14' ' ' LEU . 73.1 m80 -120.05 166.38 13.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 109.626 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.447 ' O ' ' CD1' ' A' ' 50' ' ' TYR . 21.4 p90 -154.9 141.78 19.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 111.001 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.565 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 4.7 m-85 -117.06 163.62 15.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 111.014 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -91.57 122.92 65.05 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 109.286 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 1.08 8.12 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.452 1.764 . . . . 0.0 110.997 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 38.1 m -103.08 -50.88 3.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.989 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.87 -175.21 0.18 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -150.2 90.26 1.65 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 110.287 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -149.9 140.73 22.75 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.553 1.158 . . . . 0.0 110.299 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -77.18 57.26 1.39 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.453 ' CG ' ' HD2' ' A' ' 60' ' ' PRO . 0.1 OUTLIER -171.79 156.77 4.17 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.563 1.164 . . . . 0.0 110.298 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.565 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 18.2 Cg_endo -75.07 158.14 42.09 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.499 1.789 . . . . 0.0 110.996 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.437 ' CG2' ' HA ' ' A' ' 51' ' ' TYR . 3.9 t -75.21 -31.26 24.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -161.95 -115.58 0.36 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.477 1.111 . . . . 0.0 111.024 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 101.31 126.3 5.8 Favored Glycine 0 CA--C 1.531 1.041 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.412 ' CD1' ' N ' ' A' ' 64' ' ' PHE . 0.1 OUTLIER -110.89 -176.94 3.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 0.782 . . . . 0.0 111.003 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 66.8 m -88.68 161.2 16.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 110.018 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.405 ' O ' ' C ' ' A' ' 67' ' ' ARG . 72.3 mt -110.61 -38.43 5.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.9 OUTLIER -38.41 -64.01 0.46 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 110.317 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -99.4 48.18 1.29 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.495 1.122 . . . . 0.0 111.006 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 7.0 p -123.47 -173.08 2.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 0.772 . . . . 0.0 109.981 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -156.23 167.95 28.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.345 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.488 ' CG1' ' HG2' ' A' ' 120' ' ' LYS . 7.3 p -153.0 143.04 14.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.554 1.159 . . . . 0.0 109.295 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 37.6 m -158.81 156.51 29.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.972 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -92.81 153.04 19.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.336 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.449 ' CD1' ' HB2' ' A' ' 91' ' ' LEU . 2.2 mt -98.71 142.11 30.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -87.94 164.61 15.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 110.316 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -104.29 145.99 29.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 109.279 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 177.09 -58.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.162 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 164.96 96.66 0.11 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.557 1.16 . . . . 0.0 110.989 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 40.5 t 62.86 131.33 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.533 0.784 . . . . 0.0 109.278 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -64.78 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.536 1.808 . . . . 0.0 110.972 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.499 ' O ' ' CG2' ' A' ' 81' ' ' THR . 1.7 t -164.11 110.74 1.08 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 110.41 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 81' ' ' THR . . . 35.04 61.9 0.61 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.471 1.107 . . . . 0.0 111.028 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.409 HG11 ' NE2' ' A' ' 27' ' ' GLN . 30.5 t -115.25 -34.74 2.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 0.758 . . . . 0.0 109.3 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 7.2 mmtt 62.26 117.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 109.275 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 120.19 -13.26 10.41 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.476 1.11 . . . . 0.0 110.977 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 50.32 94.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 0.754 . . . . 0.0 109.331 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.551 HG23 ' CZ2' ' A' ' 34' ' ' TRP . 5.3 p -61.66 160.55 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.432 ' O ' ' O ' ' A' ' 87' ' ' VAL . 16.2 mm-40 -43.27 -95.41 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 110.287 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 175.93 -50.32 0.12 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.493 1.121 . . . . 0.0 111.019 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 62.2 m-80 -77.64 59.45 1.98 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 0.772 . . . . 0.0 109.348 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.472 HD12 ' CG1' ' A' ' 87' ' ' VAL . 0.8 OUTLIER -120.28 -174.49 2.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 109.315 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 12.8 p90 -153.95 167.99 27.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 110.935 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.98 167.4 19.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.328 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 67.3 t -126.73 107.34 16.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.569 HG12 ' CD2' ' A' ' 101' ' ' HIS . 84.5 mt -89.2 111.62 23.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 0.0 109.272 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 69.1 p -81.71 -178.1 6.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.394 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.75 -9.65 51.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -105.15 19.37 20.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.443 ' C ' ' CD2' ' A' ' 101' ' ' HIS . 0.7 OUTLIER 43.8 42.78 4.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 109.288 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.448 HG22 ' CZ ' ' A' ' 102' ' ' TYR . 54.6 m -71.23 -57.4 4.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 110.411 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.569 ' CD2' HG12 ' A' ' 95' ' ' ILE . 4.8 m170 78.47 88.7 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.564 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.448 ' CZ ' HG22 ' A' ' 100' ' ' THR . 51.2 m-85 -98.16 115.32 28.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 111.016 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -79.57 125.09 29.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.989 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.402 ' CG2' ' N ' ' A' ' 105' ' ' GLN . 74.6 mt -133.2 161.92 40.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.113 . . . . 0.0 109.27 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.402 ' N ' ' CG2' ' A' ' 104' ' ' ILE . 40.6 tt0 -122.31 150.12 42.8 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.514 1.134 . . . . 0.0 110.314 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.462 ' HA ' ' CD2' ' A' ' 24' ' ' LEU . . . -101.65 162.44 12.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 35.3 t -67.43 -44.25 79.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 109.992 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 11.2 p -132.14 167.24 20.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.006 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -56.55 -34.85 67.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -76.11 -50.25 15.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -42.4 -36.31 1.26 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.316 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.416 ' CG ' HD13 ' A' ' 116' ' ' ILE . 8.1 ttp180 -61.29 -70.82 0.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 110.259 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -43.9 -41.56 5.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -63.68 -57.45 10.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 110.309 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' TRP . . . . . 0.548 ' CZ3' ' HB2' ' A' ' 41' ' ' LEU . 41.6 m95 -53.29 -35.06 59.7 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.45 ' O ' ' C ' ' A' ' 117' ' ' GLU . 82.8 mt -70.56 -76.43 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 116' ' ' ILE . 2.7 tt0 -33.95 -45.79 0.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.335 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -52.15 -68.06 0.2 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.495 1.122 . . . . 0.0 109.347 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 13.4 mt -41.72 -58.03 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.488 ' HG2' ' CG1' ' A' ' 71' ' ' VAL . 17.2 mttt -40.76 -52.84 2.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.339 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 17.9 mttt -43.89 -60.04 2.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 109.268 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.457 HD13 ' CB ' ' A' ' 46' ' ' ALA . 2.2 mm? -51.11 -55.24 18.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 69.8 p -68.91 79.75 0.31 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 110.42 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.35 166.52 1.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 110.015 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -91.81 -117.96 2.29 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.493 1.12 . . . . 0.0 110.997 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 134.05 17.29 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.548 1.815 . . . . 0.0 110.953 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 38.4 m -114.71 154.71 27.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.01 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 77.2 p -99.05 136.54 38.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.994 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 O-C-N 124.507 1.13 . . . . 0.0 111.004 179.99 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 90.8 p -139.17 167.22 22.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 0.789 . . . . 0.0 109.994 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.8 m 60.06 150.74 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.443 1.09 . . . . 0.0 110.0 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.33 139.36 2.72 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.479 1.112 . . . . 0.0 111.003 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -135.93 169.85 16.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 0.736 . . . . 0.0 109.983 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -94.24 128.24 40.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.987 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 39.47 55.73 2.53 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.47 1.106 . . . . 0.0 110.992 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -172.24 111.24 0.26 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 0.752 . . . . 0.0 109.983 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.3 tt -167.98 -66.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.242 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 68.62 140.16 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 110.047 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.402 ' CG2' ' HB2' ' A' ' 14' ' ' LEU . 4.9 m -64.95 156.82 29.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 110.391 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.414 ' CG1' ' H ' ' A' ' 13' ' ' GLU . 2.6 p -141.05 -63.8 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.585 ' CD ' ' CE2' ' A' ' 47' ' ' PHE . 2.3 mm-40 -65.98 -42.98 89.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 110.315 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.566 HD21 ' CD2' ' A' ' 49' ' ' HIS . 0.6 OUTLIER -87.82 12.03 14.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.301 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.421 ' O ' ' CD ' ' A' ' 45' ' ' PRO . 0.3 OUTLIER -101.8 62.2 0.9 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 110.056 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -136.71 161.58 25.08 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.515 1.134 . . . . 0.0 110.983 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.425 ' O ' ' N ' ' A' ' 43' ' ' LYS . 3.1 m -67.41 125.98 27.84 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.513 0.772 . . . . 0.0 110.397 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.441 ' CG2' ' NH1' ' A' ' 42' ' ' ARG . 2.1 t -64.38 123.06 16.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.462 ' CG1' ' HE2' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -110.32 -28.26 2.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.519 ' HG2' ' CD2' ' A' ' 115' ' ' TRP . 5.2 tptt -156.33 142.02 17.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.346 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -148.06 150.63 34.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.277 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 158.63 -161.4 31.77 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.473 1.108 . . . . 0.0 110.996 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.47 ' CE2' ' HB2' ' A' ' 38' ' ' ARG . 61.5 m-85 -121.04 121.39 37.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 0.761 . . . . 0.0 110.998 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.573 ' HB2' ' CD1' ' A' ' 39' ' ' PHE . 41.0 mt -112.59 169.36 8.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.56 1.162 . . . . 0.0 109.263 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -121.14 104.52 9.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 109.286 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 9.6 tttt -92.46 135.8 33.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.295 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -93.87 109.71 21.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.297 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -113.04 -169.3 17.37 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.476 1.11 . . . . 0.0 110.995 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -88.27 107.27 18.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.443 0.731 . . . . 0.0 109.614 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -174.43 154.24 2.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 80.0 mtt-85 -58.48 -55.23 37.77 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 110.314 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.46 170.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.43 ' OD1' ' O ' ' A' ' 34' ' ' TRP . 14.9 p30 -83.63 -160.19 0.42 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.58 ' CD1' HG22 ' A' ' 87' ' ' VAL . 11.7 m95 -52.08 144.71 11.61 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.66 133.63 55.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.095 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.6 t -80.89 128.28 38.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.432 1.082 . . . . 0.0 109.271 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.1 ttp180 -136.14 139.39 42.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 110.27 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.47 ' HB2' ' CE2' ' A' ' 23' ' ' TYR . 1.7 ttp85 -74.18 104.41 4.96 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.509 1.131 . . . . 0.0 110.317 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.573 ' CD1' ' HB2' ' A' ' 24' ' ' LEU . 8.7 m-85 -95.77 143.25 27.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.967 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.3 p -126.52 135.79 62.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.108 . . . . 0.0 109.32 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.445 ' CB ' ' HB3' ' A' ' 20' ' ' LYS . 0.5 OUTLIER -114.29 124.03 50.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.137 . . . . 0.0 109.34 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.441 ' NH1' ' CG2' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -128.27 164.67 22.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 110.291 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.462 ' HE2' ' CG1' ' A' ' 19' ' ' VAL . 2.0 pttt -137.96 141.06 40.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.469 ' N ' ' O ' ' A' ' 45' ' ' PRO . 9.1 t70 52.97 78.46 0.39 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.322 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.469 ' O ' ' N ' ' A' ' 44' ' ' ASP . 18.2 Cg_endo -75.04 173.13 59.52 Favored 'Cis proline' 0 C--N 1.359 1.129 0 C-N-CA 120.991 -2.504 . . . . 0.0 110.953 0.043 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.504 ' HB1' ' CD1' ' A' ' 122' ' ' LEU . . . -101.04 99.81 10.32 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.411 1.069 . . . . 0.0 109.326 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.585 ' CE2' ' CD ' ' A' ' 13' ' ' GLU . 8.6 m-85 -149.17 152.0 35.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.132 . . . . 0.0 111.004 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.433 HD23 ' CZ ' ' A' ' 64' ' ' PHE . 10.5 tp -127.27 114.06 17.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.247 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.566 ' CD2' HD21 ' A' ' 14' ' ' LEU . 58.4 m80 -115.63 164.2 14.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.584 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.629 ' C ' ' CD1' ' A' ' 51' ' ' TYR . 1.5 p90 -137.45 175.67 9.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.951 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.629 ' CD1' ' C ' ' A' ' 50' ' ' TYR . 26.4 m-85 -155.53 135.48 12.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 110.949 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -77.57 123.23 86.7 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -40.8 0.78 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.549 1.815 . . . . 0.0 111.004 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 48.2 t -46.5 -31.35 2.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 110.001 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 21.8 mmtt -93.2 -179.66 5.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.442 1.089 . . . . 0.0 109.297 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -129.17 75.91 1.68 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.257 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -143.13 160.83 39.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 110.258 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.476 ' O ' ' CE2' ' A' ' 51' ' ' TYR . 61.5 t30 -96.35 -36.17 10.95 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.125 . . . . 0.0 109.273 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 5.7 mtp180 -62.78 147.44 93.43 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.09 . . . . 0.0 110.291 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.592 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 18.2 Cg_endo -74.98 157.45 42.84 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.507 1.793 . . . . 0.0 111.005 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.1 t -72.05 -27.19 26.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -165.48 -118.32 0.43 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.534 1.146 . . . . 0.0 111.035 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.464 ' HA3' ' CD2' ' A' ' 49' ' ' HIS . . . 124.69 122.53 2.65 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.433 ' CZ ' HD23 ' A' ' 48' ' ' LEU . 4.7 p90 -115.65 153.12 31.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 0.779 . . . . 0.0 110.968 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.2 p -64.4 158.34 23.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.001 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 67' ' ' ARG . 88.3 mt -115.93 -43.73 2.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.357 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -38.81 -59.12 0.99 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.267 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -96.68 54.92 1.42 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.485 1.115 . . . . 0.0 111.008 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.8 m -141.4 -178.12 5.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 0.783 . . . . 0.0 109.965 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.407 ' O ' ' N ' ' A' ' 95' ' ' ILE . 25.1 tp -154.53 152.24 29.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.513 ' CG1' ' CG ' ' A' ' 120' ' ' LYS . 11.5 p -130.89 150.02 34.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 18.4 m -163.67 160.26 22.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 109.971 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -96.26 157.5 15.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.43 ' CD1' ' HB2' ' A' ' 91' ' ' LEU . 1.1 mt -96.68 121.92 39.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 74' ' ' LEU . 0.4 OUTLIER -37.84 154.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.293 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -61.42 100.74 0.14 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.36 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.412 ' O ' ' C ' ' A' ' 78' ' ' GLY . 1.3 m-20 -165.18 137.02 4.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.544 1.152 . . . . 0.0 109.251 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 77' ' ' ASN . . . -36.31 -82.0 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.461 1.101 . . . . 0.0 111.032 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.487 ' CG1' ' ND2' ' A' ' 86' ' ' ASN . 7.7 p -123.89 132.76 24.31 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.48 0.753 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 79' ' ' VAL . 18.3 Cg_endo -75.03 -163.41 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.485 1.781 . . . . 0.0 110.976 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 17.2 m -42.95 102.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.569 1.168 . . . . 0.0 110.407 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.422 ' O ' ' C ' ' A' ' 83' ' ' VAL . . . 59.5 -88.54 0.03 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.477 1.11 . . . . 0.0 111.02 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.499 ' O ' ' CG1' ' A' ' 83' ' ' VAL . 18.9 t 38.39 67.18 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 0.777 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.29 151.31 0.37 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 103.0 -52.75 0.78 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.495 1.122 . . . . 0.0 110.995 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.487 ' ND2' ' CG1' ' A' ' 79' ' ' VAL . 1.2 m-20 57.58 100.03 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.484 0.755 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.58 HG22 ' CD1' ' A' ' 34' ' ' TRP . 2.5 t -108.04 -22.32 5.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.489 ' HG2' ' C ' ' A' ' 87' ' ' VAL . 9.4 pt20 43.85 -172.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 110.295 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.431 ' O ' ' NH2' ' A' ' 112' ' ' ARG . . . 99.93 24.22 10.02 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.55 1.156 . . . . 0.0 110.967 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.408 ' O ' ' CD ' ' A' ' 112' ' ' ARG . 95.9 m-20 60.44 50.76 5.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 0.756 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.51 HD23 ' CH2' ' A' ' 34' ' ' TRP . 2.0 mp -62.52 -178.61 0.2 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 109.284 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.586 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 28.9 p90 -139.86 159.98 40.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 111.0 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.428 ' HG2' ' CD2' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -126.84 164.93 20.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 53.8 t -125.38 105.74 15.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.263 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.538 HG12 ' CD2' ' A' ' 101' ' ' HIS . 54.9 mt -84.56 104.98 13.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 82.5 p -76.72 -162.07 0.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 110.416 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.87 -19.77 47.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.418 ' O ' ' C ' ' A' ' 99' ' ' ASP . 21.9 t70 -99.77 24.06 8.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.418 ' C ' ' O ' ' A' ' 98' ' ' ASP . 27.2 m-20 38.9 46.33 1.07 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.524 HG22 ' CZ ' ' A' ' 102' ' ' TYR . 20.9 m -75.52 -55.34 5.77 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.502 1.127 . . . . 0.0 110.386 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.538 ' CD2' HG12 ' A' ' 95' ' ' ILE . 6.5 m170 78.19 91.02 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.634 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.524 ' CZ ' HG22 ' A' ' 100' ' ' THR . 47.9 m-85 -98.14 106.52 18.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 -76.63 130.01 37.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 111.023 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.586 ' HB ' ' CZ ' ' A' ' 92' ' ' PHE . 20.8 mt -134.29 167.55 25.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.452 ' N ' ' CG2' ' A' ' 104' ' ' ILE . 5.0 tt0 -123.03 147.09 47.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.266 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.466 ' HA ' ' CD2' ' A' ' 24' ' ' LEU . . . -105.86 155.4 19.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.359 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 29.2 m -61.19 -52.7 63.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 109.986 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 15.4 m -129.93 171.82 12.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.013 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.17 -49.18 69.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.21 -51.28 69.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.32 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.418 ' HG3' ' CD1' ' A' ' 115' ' ' TRP . 0.2 OUTLIER -46.07 -38.02 7.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 110.298 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.499 ' CZ ' ' HA ' ' A' ' 91' ' ' LEU . 0.3 OUTLIER -62.15 -76.81 0.05 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.106 . . . . 0.0 110.293 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 112' ' ' ARG . . . -39.56 -36.27 0.38 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 109.361 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -69.8 -54.89 11.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 110.322 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' TRP . . . . . 0.519 ' CD2' ' HG2' ' A' ' 20' ' ' LYS . 45.3 m95 -56.83 -23.72 45.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 107.96 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.408 ' O ' ' C ' ' A' ' 117' ' ' GLU . 96.4 mt -83.79 -75.77 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 109.279 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 116' ' ' ILE . 2.1 tt0 -37.25 -38.98 0.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.563 1.164 . . . . 0.0 110.315 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -55.24 -64.01 0.98 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 109.296 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 13.8 mt -46.59 -53.04 3.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.513 ' CG ' ' CG1' ' A' ' 71' ' ' VAL . 23.3 mttt -44.8 -45.24 9.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 15.6 mttt -51.9 -56.03 16.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.504 ' CD1' ' HB1' ' A' ' 46' ' ' ALA . 2.9 mm? -55.21 -54.92 37.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 50.4 p -56.14 -30.99 62.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 110.426 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' SER . . . . . 0.404 ' N ' ' O ' ' A' ' 120' ' ' LYS . 60.7 p -177.09 124.3 0.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.012 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -79.15 115.96 4.22 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.504 1.128 . . . . 0.0 110.993 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 121.42 6.56 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.481 1.779 . . . . 0.0 111.0 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 40.82 87.79 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.132 . . . . 0.0 109.972 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -162.48 143.16 10.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.12 . . . . 0.0 110.009 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.505 1.128 . . . . 0.0 110.982 -179.968 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -158.47 117.4 3.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 0.795 . . . . 0.0 109.95 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.2 m 62.45 139.5 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 110.022 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.35 -138.78 3.58 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.522 1.139 . . . . 0.0 110.99 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 61.56 164.31 0.08 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.545 0.791 . . . . 0.0 109.977 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -178.39 164.98 1.76 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 110.008 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.96 -86.11 0.1 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.563 1.164 . . . . 0.0 110.995 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.6 m 53.9 100.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 0.753 . . . . 0.0 109.968 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.37 -60.76 0.41 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.262 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -143.79 131.64 21.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.03 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.8 m -84.68 167.53 16.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.566 1.166 . . . . 0.0 110.403 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.426 ' CG1' ' H ' ' A' ' 13' ' ' GLU . 2.0 p -148.39 -69.02 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.426 ' H ' ' CG1' ' A' ' 12' ' ' VAL . 43.3 mt-10 -57.4 -46.7 83.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.237 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.553 ' CD1' ' CG ' ' A' ' 49' ' ' HIS . 1.9 mm? -83.86 6.72 20.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.08 62.46 0.97 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.997 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.403 ' HA2' ' O ' ' A' ' 44' ' ' ASP . . . -141.76 166.25 26.28 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.463 1.102 . . . . 0.0 111.017 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.468 ' CB ' ' HD3' ' A' ' 43' ' ' LYS . 4.8 m -70.12 142.03 52.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 0.793 . . . . 0.0 110.402 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.2 t -76.68 125.65 36.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.482 ' CG1' ' HD2' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -108.27 -36.59 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.282 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.564 ' HG2' ' CD2' ' A' ' 115' ' ' TRP . 3.4 tptt -155.18 140.53 17.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.441 ' OE1' ' CG2' ' A' ' 40' ' ' VAL . 19.4 mt-30 -144.6 144.37 31.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 110.295 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 167.18 -166.63 39.35 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.5 1.125 . . . . 0.0 110.993 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.573 ' CE2' ' HB2' ' A' ' 38' ' ' ARG . 48.4 m-85 -118.48 121.55 40.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 0.785 . . . . 0.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.553 HD21 ' CD1' ' A' ' 115' ' ' TRP . 15.2 mt -114.39 173.78 6.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.262 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -120.16 109.62 15.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.097 . . . . 0.0 109.303 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.4 tttt -88.04 138.03 31.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -92.64 116.49 29.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 110.301 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.73 -106.93 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.453 1.096 . . . . 0.0 110.999 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -148.67 -64.86 0.24 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 0.758 . . . . 0.0 109.578 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.408 ' O ' ' N ' ' A' ' 32' ' ' LYS . 2.7 tttt -144.31 172.64 12.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.348 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 17.0 mtt180 62.06 -83.04 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.32 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 30' ' ' LYS . 0.5 OUTLIER -68.99 108.43 3.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.262 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -64.53 -155.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 26.0 m95 -65.52 144.07 57.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 108.006 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.87 128.26 43.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.268 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.5 t -73.94 118.06 18.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.8 mtm-85 -126.22 152.54 45.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.443 1.089 . . . . 0.0 110.305 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.573 ' HB2' ' CE2' ' A' ' 23' ' ' TYR . 0.8 OUTLIER -86.75 103.93 15.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 110.324 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -97.11 136.28 37.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.968 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.441 ' CG2' ' OE1' ' A' ' 21' ' ' GLN . 10.6 p -120.58 137.43 54.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.445 HD12 ' CE3' ' A' ' 115' ' ' TRP . 0.6 OUTLIER -113.46 113.64 25.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 109.277 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.441 ' NH1' ' O ' ' A' ' 14' ' ' LEU . 1.6 mtp180 -120.22 146.65 45.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 110.301 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.482 ' HD2' ' CG1' ' A' ' 19' ' ' VAL . 0.0 OUTLIER -119.69 159.84 23.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.137 . . . . 0.0 109.334 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.434 ' N ' ' C ' ' A' ' 45' ' ' PRO . 1.1 m-20 37.95 80.01 0.29 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.496 ' HB2' ' CD1' ' A' ' 47' ' ' PHE . 18.2 Cg_endo -74.98 164.49 88.27 Favored 'Cis proline' 0 C--N 1.36 1.148 0 C-N-CA 120.987 -2.505 . . . . 0.0 110.968 0.011 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -89.48 97.87 11.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 109.316 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.496 ' CD1' ' HB2' ' A' ' 45' ' ' PRO . 28.3 m-85 -141.98 174.8 10.26 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 0.0 110.975 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.535 HD23 ' CE2' ' A' ' 64' ' ' PHE . 10.1 tp -149.4 113.59 5.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.266 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.553 ' CG ' ' CD1' ' A' ' 14' ' ' LEU . 39.7 m80 -119.81 159.77 23.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.577 1.173 . . . . 0.0 109.601 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.426 ' CZ ' ' HA3' ' A' ' 62' ' ' GLY . 25.0 p90 -140.61 141.89 35.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.943 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.57 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 30.7 m-85 -114.3 156.38 24.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 110.998 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.564 ' N ' ' CG2' ' A' ' 61' ' ' VAL . 2.3 p30 -95.55 129.65 34.18 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.349 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -39.68 1.11 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.523 1.801 . . . . 0.0 110.969 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 47.7 t -55.95 -42.12 75.71 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 0.0 110.003 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.8 mmpt? -104.33 -171.72 1.98 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.1 . . . . 0.0 109.321 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -128.06 -102.88 0.33 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 110.254 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 68.78 135.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 110.28 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.425 ' O ' ' CD ' ' A' ' 59' ' ' ARG . 37.7 m-20 -76.32 67.78 2.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.144 . . . . 0.0 109.328 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.425 ' CD ' ' O ' ' A' ' 58' ' ' ASN . 0.2 OUTLIER 164.68 167.42 0.07 OUTLIER Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 0.0 110.275 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.57 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 18.2 Cg_endo -74.98 174.67 12.38 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.507 1.793 . . . . 0.0 111.007 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.564 ' CG2' ' N ' ' A' ' 52' ' ' ASP . 0.4 OUTLIER -86.33 -13.66 10.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.326 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.426 ' HA3' ' CZ ' ' A' ' 50' ' ' TYR . . . -170.85 -125.72 0.83 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.513 1.133 . . . . 0.0 110.976 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.528 ' HA3' ' CD2' ' A' ' 49' ' ' HIS . . . 120.12 130.59 3.99 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.535 ' CE2' HD23 ' A' ' 48' ' ' LEU . 8.8 p90 -133.15 148.15 52.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 0.787 . . . . 0.0 111.007 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 91.1 p -63.84 153.86 35.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.993 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 12.9 mt -108.66 -27.09 10.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 109.305 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.15 -54.59 1.75 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 110.307 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -107.32 44.79 1.41 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.485 1.116 . . . . 0.0 111.01 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 17.1 p -120.21 -177.99 3.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 0.77 . . . . 0.0 109.99 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 95' ' ' ILE . 29.5 tp -154.44 151.31 28.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.573 ' CG1' ' HG3' ' A' ' 120' ' ' LYS . 3.4 p -133.87 141.33 44.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.441 1.088 . . . . 0.0 109.309 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.422 ' N ' HG23 ' A' ' 71' ' ' VAL . 18.6 m -150.7 160.35 43.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.986 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -98.34 158.02 15.83 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.103 . . . . 0.0 109.272 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.461 HD12 ' CB ' ' A' ' 91' ' ' LEU . 4.9 mt -102.7 93.85 5.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.251 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -122.29 167.17 13.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 110.315 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 69.85 138.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.318 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.7 m120 61.38 118.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -40.98 -70.3 0.42 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.445 1.09 . . . . 0.0 111.001 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.471 ' CG1' ' O ' ' A' ' 83' ' ' VAL . 97.9 t -64.61 133.86 95.83 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.455 0.738 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 128.45 11.45 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.495 1.787 . . . . 0.0 110.988 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.477 ' CB ' ' OH ' ' A' ' 103' ' ' TYR . 27.1 m 43.37 -102.7 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.422 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -128.87 18.76 5.6 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.52 1.137 . . . . 0.0 110.993 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.471 ' O ' ' CG1' ' A' ' 79' ' ' VAL . 40.5 t -57.95 140.3 16.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.494 0.761 . . . . 0.0 109.267 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.6 mmtt -51.59 -96.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.306 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -84.11 118.13 4.62 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.547 1.155 . . . . 0.0 111.011 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -40.51 151.53 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 0.726 . . . . 0.0 109.268 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.474 ' HB ' ' CD1' ' A' ' 91' ' ' LEU . 2.1 t -99.5 -139.39 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.257 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.416 ' HG3' ' NE2' ' A' ' 105' ' ' GLN . 8.2 mm100 -73.08 -79.38 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.556 1.16 . . . . 0.0 110.285 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 169.13 -68.83 0.16 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.502 1.126 . . . . 0.0 111.027 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 62.5 m-80 -74.67 61.37 0.97 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 0.744 . . . . 0.0 109.289 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.495 ' CD2' ' OE1' ' A' ' 105' ' ' GLN . 1.2 mp -100.06 -174.71 2.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.343 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.48 ' C ' ' CD1' ' A' ' 92' ' ' PHE . 2.9 p90 -163.41 155.25 17.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 111.057 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.428 ' HE2' ' CG1' ' A' ' 95' ' ' ILE . 0.4 OUTLIER -121.73 165.97 15.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 84.3 t -127.02 102.21 9.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.511 HG12 ' CG ' ' A' ' 101' ' ' HIS . 58.8 mt -88.21 116.22 29.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 14.4 p -88.22 -170.96 3.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 110.36 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.99 -14.56 62.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -97.48 16.15 21.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.26 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.614 ' C ' ' CD2' ' A' ' 101' ' ' HIS . 0.2 OUTLIER 43.49 31.56 0.44 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.35 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.511 HG22 ' CZ ' ' A' ' 102' ' ' TYR . 25.5 m -62.92 -55.82 22.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 110.392 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.614 ' CD2' ' C ' ' A' ' 99' ' ' ASP . 4.6 m170 79.28 94.85 0.06 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.118 . . . . 0.0 109.594 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.511 ' CZ ' HG22 ' A' ' 100' ' ' THR . 60.1 m-85 -101.92 110.16 22.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 110.952 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.477 ' OH ' ' CB ' ' A' ' 81' ' ' THR . 5.0 m-85 -78.1 129.48 35.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.989 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.428 ' CG2' ' N ' ' A' ' 105' ' ' GLN . 57.2 mt -137.15 166.91 24.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.333 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.495 ' OE1' ' CD2' ' A' ' 91' ' ' LEU . 8.2 tp60 -128.87 151.53 49.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.318 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.426 ' HA ' ' CD2' ' A' ' 24' ' ' LEU . . . -107.0 163.17 13.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.261 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 34.5 t -65.41 -44.02 88.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.022 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -138.65 169.91 16.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.953 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.31 -38.9 66.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -70.73 -52.6 19.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.289 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -42.05 -38.14 1.57 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 110.305 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.482 ' CG ' HD12 ' A' ' 116' ' ' ILE . 0.0 OUTLIER -64.32 -69.37 0.29 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 110.276 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 112' ' ' ARG . . . -38.93 -45.57 1.2 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 109.328 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -61.67 -57.48 11.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 110.312 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' TRP . . . . . 0.564 ' CD2' ' HG2' ' A' ' 20' ' ' LYS . 48.6 m95 -54.35 -33.51 59.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 107.954 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.482 HD12 ' CG ' ' A' ' 112' ' ' ARG . 62.4 mt -74.14 -76.37 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 116' ' ' ILE . 2.9 tt0 -34.96 -42.43 0.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.261 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -56.4 -66.41 0.44 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.418 ' O ' ' C ' ' A' ' 120' ' ' LYS . 80.0 mt -40.79 -59.98 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.573 ' HG3' ' CG1' ' A' ' 71' ' ' VAL . 0.2 OUTLIER -39.37 -51.37 2.08 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.261 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 12.4 mttt -45.77 -60.05 2.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.336 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.412 HD22 ' CD2' ' A' ' 41' ' ' LEU . 0.3 OUTLIER -48.36 -56.88 6.97 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 17.8 p -68.1 83.41 0.23 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.382 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 5.8 t -40.97 137.22 1.29 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 110.018 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 175.35 -149.02 9.85 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.464 1.103 . . . . 0.0 110.967 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 104.8 1.96 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.528 1.804 . . . . 0.0 111.007 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -107.21 154.24 21.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 110.004 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 27.0 t -132.68 128.63 37.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.985 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.479 1.112 . . . . 0.0 110.99 179.99 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.8 p 48.86 78.26 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 0.778 . . . . 0.0 109.994 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.3 t -59.43 139.26 57.24 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 109.972 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 67.48 65.86 2.58 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.448 1.093 . . . . 0.0 110.97 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -152.93 167.76 28.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.542 0.79 . . . . 0.0 109.974 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -120.05 94.39 4.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.006 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.51 -115.27 4.9 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.493 1.121 . . . . 0.0 110.978 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.8 m -144.99 166.78 24.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 0.776 . . . . 0.0 110.026 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -166.57 135.59 2.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -98.98 166.98 11.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.024 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.417 ' CG2' ' HB2' ' A' ' 14' ' ' LEU . 92.4 m -109.58 154.49 22.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.437 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.411 ' CG1' ' H ' ' A' ' 13' ' ' GLU . 2.7 p -139.55 -63.25 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.284 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.517 ' HG2' ' CZ ' ' A' ' 47' ' ' PHE . 76.8 mt-10 -57.2 -48.7 78.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 110.267 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.53 HD11 ' CG ' ' A' ' 49' ' ' HIS . 0.7 OUTLIER -82.51 3.79 26.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.337 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -104.62 69.15 0.88 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 110.015 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -141.14 157.81 26.15 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.473 1.108 . . . . 0.0 111.015 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.3 m -68.02 115.8 7.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 0.774 . . . . 0.0 110.383 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.2 t -53.44 124.37 5.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.301 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.466 HG11 ' CG ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -110.14 -30.48 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.349 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.544 ' HG2' ' CD2' ' A' ' 115' ' ' TRP . 3.3 tptt -154.87 143.48 20.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.429 ' NE2' ' CG2' ' A' ' 40' ' ' VAL . 10.9 mt-30 -146.72 149.85 34.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 0.0 110.316 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 160.17 -174.26 36.9 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.517 1.136 . . . . 0.0 111.036 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.563 ' CE2' ' HB2' ' A' ' 38' ' ' ARG . 76.9 m-85 -112.59 120.65 42.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 0.8 . . . . 0.0 111.013 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.489 ' HB2' ' CD1' ' A' ' 39' ' ' PHE . 26.0 mt -115.43 167.63 10.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -113.66 105.67 13.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 18.3 tttt -85.36 130.69 34.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.511 ' HB2' ' CE2' ' A' ' 34' ' ' TRP . 0.1 OUTLIER -94.33 115.01 27.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.133 . . . . 0.0 110.294 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -111.01 -146.38 10.62 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.434 1.084 . . . . 0.0 111.023 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 11.2 t-80 -128.61 139.83 52.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 0.748 . . . . 0.0 109.63 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.7 mttt 59.42 176.08 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 109.316 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 68.86 -71.13 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 110.327 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -152.45 145.63 24.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.1 . . . . 0.0 109.328 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -67.5 -49.76 61.99 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.523 ' CE2' HG21 ' A' ' 87' ' ' VAL . 64.7 m95 -135.78 130.45 34.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 108.003 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.28 122.5 28.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.3 t -60.64 136.69 24.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.562 1.164 . . . . 0.0 109.29 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.34 147.5 31.4 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 110.289 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.563 ' HB2' ' CE2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -80.76 102.89 10.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 0.0 110.263 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.489 ' CD1' ' HB2' ' A' ' 24' ' ' LEU . 15.7 m-85 -96.86 131.66 43.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.105 . . . . 0.0 111.018 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.429 ' CG2' ' NE2' ' A' ' 21' ' ' GLN . 14.0 p -117.21 143.26 28.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.526 HD11 ' CE3' ' A' ' 115' ' ' TRP . 0.7 OUTLIER -117.63 144.6 45.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 76.9 mtt85 -139.76 164.48 29.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 0.0 110.305 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.466 ' CG ' HG11 ' A' ' 19' ' ' VAL . 3.0 pttt -141.35 143.18 33.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.459 ' N ' ' C ' ' A' ' 45' ' ' PRO . 8.7 t70 43.52 79.33 0.34 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.459 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.2 Cg_endo -74.96 169.79 73.57 Favored 'Cis proline' 0 C--N 1.36 1.165 0 C-N-CA 121.014 -2.494 . . . . 0.0 110.963 -0.037 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -97.9 108.5 21.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 0.0 109.309 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.517 ' CZ ' ' HG2' ' A' ' 13' ' ' GLU . 19.8 m-85 -150.06 167.91 25.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 111.022 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.476 HD22 ' CZ ' ' A' ' 64' ' ' PHE . 7.5 tp -148.91 113.66 5.38 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.53 ' CG ' HD11 ' A' ' 14' ' ' LEU . 68.1 m80 -121.02 159.59 25.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.092 . . . . 0.0 109.624 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.46 ' HB3' ' CD2' ' A' ' 39' ' ' PHE . 32.0 p90 -142.78 142.82 31.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 110.987 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.589 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 16.4 m-85 -118.0 156.27 28.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.133 . . . . 0.0 110.985 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -85.68 122.99 73.09 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 0.33 9.06 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.428 1.752 . . . . 0.0 111.011 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 75.3 m -103.52 -51.1 3.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.093 . . . . 0.0 109.973 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 27.0 mmtt -68.98 179.54 1.81 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -148.53 101.96 3.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 110.277 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -153.44 155.6 36.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.274 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -86.76 66.11 9.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 109.277 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 171.94 160.39 0.25 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 110.284 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.589 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 18.5 Cg_endo -74.95 167.5 26.91 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.543 1.812 . . . . 0.0 111.02 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.425 ' CG2' ' HA ' ' A' ' 51' ' ' TYR . 4.9 t -84.39 -30.89 7.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -155.8 -117.42 0.57 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.484 1.115 . . . . 0.0 110.984 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.448 ' HA3' ' CD2' ' A' ' 49' ' ' HIS . . . 100.95 129.17 6.6 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.476 ' CZ ' HD22 ' A' ' 48' ' ' LEU . 9.8 p90 -122.18 149.52 43.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 0.779 . . . . 0.0 111.017 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 11.0 p -74.47 131.39 40.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.018 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.473 HD13 ' CB ' ' A' ' 122' ' ' LEU . 80.2 mt -71.11 -44.7 65.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 109.263 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 11.8 mmt180 -40.28 95.93 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.545 1.153 . . . . 0.0 110.272 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 66' ' ' LEU . . . 96.2 38.3 4.6 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.462 1.101 . . . . 0.0 110.998 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 66' ' ' LEU . 8.8 m -122.91 -179.18 4.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.437 0.728 . . . . 0.0 109.95 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.515 ' CD1' ' N ' ' A' ' 71' ' ' VAL . 3.0 tm? -156.24 157.14 35.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.324 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.556 ' CG1' ' HG3' ' A' ' 120' ' ' LYS . 3.0 p -142.07 141.57 28.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.1 m -148.74 163.52 37.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.985 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -95.85 153.81 17.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 109.329 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.467 ' CD1' ' HB2' ' A' ' 91' ' ' LEU . 0.7 OUTLIER -97.03 174.23 6.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 109.289 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -70.28 140.81 52.41 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 110.299 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -108.94 85.59 2.13 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 178.59 84.98 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.414 ' O ' ' O ' ' A' ' 79' ' ' VAL . . . 46.72 93.27 0.01 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.43 1.081 . . . . 0.0 111.012 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.414 ' O ' ' O ' ' A' ' 78' ' ' GLY . 0.5 OUTLIER 61.77 139.37 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.466 0.745 . . . . 0.0 109.265 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -79.62 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.578 1.831 . . . . 0.0 110.996 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 33.8 p -123.49 -124.54 0.26 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.406 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -87.98 39.25 3.12 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.507 1.129 . . . . 0.0 111.021 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.401 HG13 ' NE2' ' A' ' 27' ' ' GLN . 53.4 t -87.36 99.71 8.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.475 0.75 . . . . 0.0 109.334 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.59 136.97 4.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.333 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 111.02 -126.28 7.72 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.535 1.147 . . . . 0.0 110.944 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.49 ' O ' ' O ' ' A' ' 87' ' ' VAL . 1.9 m120 -153.99 -45.4 0.09 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 0.774 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.523 HG21 ' CE2' ' A' ' 34' ' ' TRP . 0.3 OUTLIER 49.92 175.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 109.295 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.427 ' N ' HG13 ' A' ' 87' ' ' VAL . 54.1 mt-30 -76.28 -161.96 0.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.319 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -132.56 47.68 1.0 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.465 1.103 . . . . 0.0 111.012 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 17.6 p-10 -174.04 47.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.569 0.805 . . . . 0.0 109.286 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.467 ' HB2' ' CD1' ' A' ' 74' ' ' LEU . 0.6 OUTLIER -106.07 -174.61 2.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.416 ' CE1' ' HB ' ' A' ' 104' ' ' ILE . 36.9 p90 -147.37 177.28 9.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 110.975 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.419 ' HG2' ' CD2' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -143.28 163.94 31.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 55.2 t -122.0 118.22 54.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.137 . . . . 0.0 109.293 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.521 HG12 ' CD2' ' A' ' 101' ' ' HIS . 61.1 mt -99.94 101.13 11.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 18.0 p -73.55 -168.72 0.59 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.389 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.48 -9.8 58.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.335 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -101.88 13.78 33.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.269 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.461 ' C ' ' CD2' ' A' ' 101' ' ' HIS . 5.5 m-20 42.8 43.11 3.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.493 HG22 ' CE2' ' A' ' 102' ' ' TYR . 16.2 m -73.58 -52.62 12.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.377 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.521 ' CD2' HG12 ' A' ' 95' ' ' ILE . 3.6 m170 79.68 83.71 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.559 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.493 ' CE2' HG22 ' A' ' 100' ' ' THR . 29.3 m-85 -89.86 112.49 23.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.982 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 -79.11 118.81 21.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.997 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.416 ' HB ' ' CE1' ' A' ' 92' ' ' PHE . 70.2 mt -125.22 162.24 28.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 109.271 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.418 ' CG ' ' N ' ' A' ' 106' ' ' ALA . 5.9 tt0 -120.15 155.07 33.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 110.336 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.418 ' N ' ' CG ' ' A' ' 105' ' ' GLN . . . -111.26 154.04 25.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.252 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.7 t -67.23 -52.25 43.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.45 1.093 . . . . 0.0 109.993 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.16 168.44 17.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.017 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -47.76 -55.53 9.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -54.79 -54.91 35.96 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.497 ' HG3' ' CD1' ' A' ' 115' ' ' TRP . 0.8 OUTLIER -43.44 -37.9 2.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 110.333 179.94 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.454 ' CD ' HD11 ' A' ' 116' ' ' ILE . 0.0 OUTLIER -56.46 -73.08 0.07 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 110.299 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.491 ' O ' ' N ' ' A' ' 117' ' ' GLU . . . -48.45 -48.96 37.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.441 ' OE1' ' NZ ' ' A' ' 20' ' ' LYS . 3.0 mt-10 -47.22 -67.39 0.28 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 110.307 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' TRP . . . . . 0.544 ' CD2' ' HG2' ' A' ' 20' ' ' LYS . 72.6 m95 -49.22 -45.51 44.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 107.999 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.454 HD11 ' CD ' ' A' ' 112' ' ' ARG . 14.2 mt -57.65 -78.42 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 113' ' ' ALA . 0.8 OUTLIER -38.32 -45.98 1.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 110.283 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.471 ' HB1' ' CD1' ' A' ' 41' ' ' LEU . . . -48.55 -54.26 15.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 6.1 mt -53.89 -54.7 18.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.273 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.556 ' HG3' ' CG1' ' A' ' 71' ' ' VAL . 0.0 OUTLIER -51.68 -51.36 56.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.338 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 21.5 mttt -40.31 -60.29 1.12 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.328 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.473 ' CB ' HD13 ' A' ' 66' ' ' LEU . 0.7 OUTLIER -52.13 -55.38 21.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 109.317 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 24.2 p -67.16 75.21 0.13 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.392 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 34.0 t -179.33 -59.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.982 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 77.28 73.58 1.04 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.498 1.124 . . . . 0.0 111.02 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -56.18 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.507 1.793 . . . . 0.0 110.995 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 17.2 m -151.28 153.3 34.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 110.022 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 51.89 91.76 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 109.98 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.496 1.122 . . . . 0.0 110.956 -179.979 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 111.019 -0.833 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 58.68 97.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 0.775 . . . . 0.0 109.975 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 m -162.44 169.63 20.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 110.014 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.12 103.02 0.18 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.519 1.137 . . . . 0.0 110.96 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -142.64 165.2 28.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 0.77 . . . . 0.0 110.014 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.6 m -129.3 141.38 51.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.565 1.166 . . . . 0.0 110.006 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -106.36 -157.78 21.77 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.574 1.172 . . . . 0.0 111.03 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -134.18 -57.15 0.86 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 0.741 . . . . 0.0 110.028 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.45 56.98 1.18 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 13.5 p -142.72 93.83 2.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 110.031 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 74.3 m -78.22 161.03 27.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 110.4 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.491 ' O ' ' CG ' ' A' ' 45' ' ' PRO . 2.4 p -146.07 -65.22 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.569 1.168 . . . . 0.0 109.269 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.432 ' HG2' ' CZ ' ' A' ' 47' ' ' PHE . 73.2 mt-10 -57.01 -47.44 80.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 110.326 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.565 HD21 ' CD2' ' A' ' 49' ' ' HIS . 0.7 OUTLIER -82.03 -11.24 58.92 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -84.75 49.29 1.68 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.554 1.159 . . . . 0.0 110.026 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -121.71 156.3 16.58 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.499 1.124 . . . . 0.0 110.94 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.3 m -69.24 125.02 25.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 0.761 . . . . 0.0 110.418 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.3 t -61.12 121.91 10.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.47 ' CG1' ' HE2' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -110.31 -31.74 2.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.527 ' HG2' ' CE3' ' A' ' 115' ' ' TRP . 3.1 tptt -151.23 140.47 21.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.359 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -145.3 151.37 38.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.299 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 157.03 -169.44 34.17 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.523 1.139 . . . . 0.0 110.996 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 -112.22 134.2 53.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 0.787 . . . . 0.0 111.009 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.527 ' HB2' ' CD1' ' A' ' 39' ' ' PHE . 25.6 mt -134.63 167.52 20.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.133 . . . . 0.0 109.271 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -109.07 138.38 45.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.345 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 13.0 tttt -107.59 106.76 17.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.095 . . . . 0.0 109.318 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.521 ' HA ' ' CG ' ' A' ' 34' ' ' TRP . 14.1 tt0 -56.76 118.1 4.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.277 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -144.2 -74.71 0.03 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.462 1.101 . . . . 0.0 110.987 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -178.66 138.82 0.17 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 0.768 . . . . 0.0 109.549 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -180.0 176.85 0.7 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 7.5 mmt180 -38.86 -77.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 110.313 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -108.67 -96.23 0.39 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.406 ' H ' ' ND2' ' A' ' 33' ' ' ASN . 2.7 p30 -72.67 -175.3 1.63 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.335 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.614 ' N ' ' CD1' ' A' ' 34' ' ' TRP . 0.0 OUTLIER -84.44 -169.33 2.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 108.01 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -104.4 161.47 14.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.113 . . . . 0.0 109.337 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.0 t -100.16 142.64 15.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.467 1.104 . . . . 0.0 109.268 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -143.77 155.34 44.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.313 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 10.9 ttp85 -84.38 105.03 14.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 110.246 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.527 ' CD1' ' HB2' ' A' ' 24' ' ' LEU . 25.6 m-85 -97.14 136.56 37.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 111.016 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.8 p -121.6 139.52 48.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.452 ' CD2' HD23 ' A' ' 122' ' ' LEU . 0.3 OUTLIER -114.44 134.89 54.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.447 ' NH1' ' O ' ' A' ' 14' ' ' LEU . 88.8 mtt-85 -132.2 161.51 33.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.318 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.47 ' HE2' ' CG1' ' A' ' 19' ' ' VAL . 2.7 pttt -136.79 141.09 42.92 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.475 ' N ' ' O ' ' A' ' 45' ' ' PRO . 2.4 m-20 49.42 80.02 0.32 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.491 ' CG ' ' O ' ' A' ' 12' ' ' VAL . 18.2 Cg_endo -74.98 174.23 53.75 Favored 'Cis proline' 0 C--N 1.36 1.144 0 C-N-CA 121.012 -2.495 . . . . 0.0 110.978 -0.029 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.442 ' CB ' ' HB3' ' A' ' 122' ' ' LEU . . . -99.9 105.97 17.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.081 . . . . 0.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.432 ' CZ ' ' HG2' ' A' ' 13' ' ' GLU . 37.3 m-85 -150.42 168.89 22.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 110.999 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.521 HD23 ' CZ ' ' A' ' 64' ' ' PHE . 12.9 tp -143.7 114.43 7.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 109.305 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.565 ' CD2' HD21 ' A' ' 14' ' ' LEU . 59.3 m80 -116.24 164.19 14.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 109.547 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 38.5 p90 -148.03 144.52 27.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 111.016 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.577 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 8.5 m-85 -118.65 155.38 31.1 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 110.984 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.43 ' OD2' ' N ' ' A' ' 55' ' ' LYS . 29.7 t70 -83.61 120.67 75.69 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 109.298 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -5.38 16.69 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.505 1.792 . . . . 0.0 110.96 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.21 -48.05 5.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.447 1.092 . . . . 0.0 110.009 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.43 ' N ' ' OD2' ' A' ' 52' ' ' ASP . 6.5 mmtt -73.95 -175.92 2.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.102 . . . . 0.0 109.268 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -150.64 104.62 3.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 110.286 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -155.67 154.45 31.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.147 . . . . 0.0 110.33 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 34.5 m-80 -86.86 68.03 9.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.455 1.097 . . . . 0.0 109.292 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 170.07 161.61 0.2 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 110.313 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.577 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 18.1 Cg_endo -74.99 169.16 23.24 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.511 1.795 . . . . 0.0 110.968 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.418 ' CG2' ' HA ' ' A' ' 51' ' ' TYR . 4.5 t -89.45 -30.63 5.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.128 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -154.58 -116.34 0.58 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.458 1.099 . . . . 0.0 111.015 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.504 ' HA3' ' CD2' ' A' ' 49' ' ' HIS . . . 107.02 131.51 6.73 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.527 ' CD1' ' N ' ' A' ' 64' ' ' PHE . 1.4 p90 -126.44 156.5 40.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 0.768 . . . . 0.0 110.991 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.3 t -69.46 150.09 47.58 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.501 1.126 . . . . 0.0 110.006 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.418 ' O ' ' C ' ' A' ' 67' ' ' ARG . 77.8 mt -104.38 -37.64 7.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 66' ' ' LEU . 1.1 mmt180 -37.63 -57.24 0.98 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 110.263 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -101.77 50.67 0.96 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.512 1.133 . . . . 0.0 111.0 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 24.3 p -130.52 -178.24 4.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 0.765 . . . . 0.0 110.013 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.551 ' CD1' ' N ' ' A' ' 71' ' ' VAL . 3.1 tm? -152.69 153.37 33.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.345 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.551 ' N ' ' CD1' ' A' ' 70' ' ' LEU . 7.3 p -138.85 140.19 39.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.7 p -144.65 171.56 14.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 110.02 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -111.66 156.27 22.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -102.28 138.91 38.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -99.84 174.67 6.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 110.276 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 63.94 144.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 24.4 p30 -107.46 173.41 6.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.277 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 64.83 75.26 0.4 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.486 1.116 . . . . 0.0 110.984 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.417 ' CG2' ' HA ' ' A' ' 86' ' ' ASN . 54.3 t 63.12 129.82 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.536 0.786 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 79' ' ' VAL . 18.2 Cg_endo -75.02 -89.91 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.501 1.79 . . . . 0.0 110.99 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 3.3 m -140.06 97.48 3.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 110.397 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 46.0 60.96 4.19 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.496 1.122 . . . . 0.0 110.989 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 3.0 t -116.16 152.38 17.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.463 0.743 . . . . 0.0 109.275 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 3.6 mmpt? -50.3 158.2 0.6 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 109.294 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 38.9 -137.32 1.01 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.509 1.131 . . . . 0.0 110.998 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.471 ' O ' ' CG2' ' A' ' 87' ' ' VAL . 0.1 OUTLIER -135.7 15.29 3.38 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 0.754 . . . . 0.0 109.326 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.531 HG11 ' CZ2' ' A' ' 34' ' ' TRP . 15.9 m 44.89 -170.12 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.484 ' CG ' HD21 ' A' ' 91' ' ' LEU . 4.0 mm-40 -84.41 -52.87 5.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.29 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 139.62 -16.43 3.1 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.536 1.147 . . . . 0.0 111.022 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 22.0 m120 -135.6 48.91 2.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.554 0.797 . . . . 0.0 109.28 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.484 HD21 ' CG ' ' A' ' 88' ' ' GLN . 4.7 mt -77.53 -164.1 0.45 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 109.317 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.573 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 32.0 p90 -164.54 151.99 11.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 111.007 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.8 160.7 16.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 96.2 t -135.6 105.28 5.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.563 HG12 ' CD2' ' A' ' 101' ' ' HIS . 11.9 mt -86.9 116.29 29.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 31.5 p -92.45 172.99 8.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.428 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -56.93 -17.33 9.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.66 19.12 3.56 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 47.21 33.48 2.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 66.8 m -104.2 118.82 37.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.566 1.166 . . . . 0.0 110.368 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.563 ' CD2' HG12 ' A' ' 95' ' ' ILE . 13.8 m170 -85.85 100.61 12.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.613 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -90.91 100.1 13.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 110.962 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -74.71 114.3 12.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 111.03 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.573 ' HB ' ' CZ ' ' A' ' 92' ' ' PHE . 61.8 mt -111.67 160.01 11.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.476 ' HG3' ' CD2' ' A' ' 91' ' ' LEU . 11.8 tt0 -113.58 141.46 47.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.328 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.417 ' CB ' ' HB2' ' A' ' 112' ' ' ARG . . . -105.39 148.8 26.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.56 -45.91 84.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 109.988 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.7 -176.5 4.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 109.992 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 8.8 tmtt? -64.06 -36.78 85.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 111' ' ' GLU . . . -74.2 -53.91 8.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.564 1.165 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 110' ' ' ALA . 0.7 OUTLIER -38.09 -41.12 0.55 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 110.319 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.417 ' HB2' ' CB ' ' A' ' 106' ' ' ALA . 9.8 ttp180 -64.82 -68.9 0.32 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.317 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 112' ' ' ARG . . . -40.31 -40.35 1.14 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 42.2 mm-40 -68.2 -58.85 3.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.278 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' TRP . . . . . 0.527 ' CE3' ' HG2' ' A' ' 20' ' ' LYS . 52.3 m95 -53.35 -24.34 11.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 107.978 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.473 HG21 ' CD ' ' A' ' 120' ' ' LYS . 39.1 mt -81.63 -77.01 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 116' ' ' ILE . 2.1 tt0 -35.69 -40.82 0.19 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 110.264 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.428 ' O ' ' N ' ' A' ' 121' ' ' LYS . . . -56.51 -68.1 0.24 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.455 ' CD1' ' O ' ' A' ' 115' ' ' TRP . 27.0 mt -40.81 -59.72 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.541 ' HG3' ' CG1' ' A' ' 71' ' ' VAL . 0.0 OUTLIER -38.75 -41.73 0.74 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 109.256 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . 0.449 ' O ' ' CA ' ' A' ' 125' ' ' GLY . 15.0 mttt -58.84 -58.43 8.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 109.343 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.452 HD23 ' CD2' ' A' ' 41' ' ' LEU . 0.3 OUTLIER -51.15 -57.11 9.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.245 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' THR . . . . . 0.426 ' O ' ' C ' ' A' ' 124' ' ' SER . 18.4 p -51.6 -102.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 110.383 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 123' ' ' THR . 0.1 OUTLIER -37.58 -57.79 0.93 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.995 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . 0.449 ' CA ' ' O ' ' A' ' 121' ' ' LYS . . . 137.93 156.16 7.08 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.495 1.122 . . . . 0.0 110.992 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -163.53 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.513 1.796 . . . . 0.0 110.989 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 42.96 83.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.01 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 33.7 t -126.55 -55.18 1.43 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.988 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.946 0 O-C-N 124.525 1.141 . . . . 0.0 111.02 179.986 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 62.0 152.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.447 0.734 . . . . 0.0 110.022 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.5 t -136.17 -57.9 0.75 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 110.015 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.29 -157.54 28.89 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.473 1.108 . . . . 0.0 110.973 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.7 p -166.51 155.42 10.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 0.769 . . . . 0.0 109.986 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.2 m -122.71 160.94 24.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.967 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -113.32 126.16 7.31 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.492 1.12 . . . . 0.0 110.986 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 177.71 -59.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 0.777 . . . . 0.0 110.008 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 67.51 60.36 0.48 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 80.5 p -144.83 115.07 7.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.127 . . . . 0.0 110.032 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.1 m -120.25 156.31 31.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 110.417 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.419 ' CA ' ' HB2' ' A' ' 15' ' ' SER . 2.5 p -142.31 -64.93 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.586 ' OE1' ' CE1' ' A' ' 47' ' ' PHE . 40.5 mt-10 -58.62 -46.71 86.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.308 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.573 HD23 ' CD2' ' A' ' 49' ' ' HIS . 0.5 OUTLIER -87.6 5.05 41.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.419 ' HB2' ' CA ' ' A' ' 12' ' ' VAL . 0.1 OUTLIER -90.66 -14.22 32.71 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.501 1.126 . . . . 0.0 109.966 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -57.6 155.87 18.22 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.522 1.139 . . . . 0.0 110.975 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.9 m -68.19 126.24 28.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 0.778 . . . . 0.0 110.423 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.2 t -60.9 121.24 8.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 109.302 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -110.81 -31.11 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.52 ' HG2' ' CD2' ' A' ' 115' ' ' TRP . 4.4 tptt -151.56 143.1 23.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 109.334 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.417 ' N ' ' HG3' ' A' ' 20' ' ' LYS . 27.3 mt-30 -150.98 153.57 35.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 110.301 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 156.54 -158.18 28.52 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.53 1.144 . . . . 0.0 111.014 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.465 ' CE2' ' HB2' ' A' ' 38' ' ' ARG . 31.4 m-85 -122.89 124.87 44.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 0.783 . . . . 0.0 110.995 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.464 ' HB2' ' CD1' ' A' ' 39' ' ' PHE . 26.7 mt -116.83 169.09 9.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.472 ' CB ' ' HB3' ' A' ' 105' ' ' GLN . . . -114.86 109.88 18.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.1 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 73.3 tttt -96.63 110.51 22.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.267 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -63.69 127.58 31.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.282 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -117.72 -131.31 4.48 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.476 1.11 . . . . 0.0 111.033 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -172.25 168.42 5.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 0.771 . . . . 0.0 109.554 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.4 tmtt? 74.29 -68.56 0.21 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.333 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -100.77 121.01 40.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 110.324 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.3 175.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 37.9 m-80 -102.42 -47.1 4.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.251 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.508 ' CZ2' HG22 ' A' ' 87' ' ' VAL . 39.7 m95 -133.56 125.27 28.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 108.012 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.82 133.93 55.5 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.431 ' O ' ' NH1' ' A' ' 37' ' ' ARG . 2.1 t -69.95 143.56 14.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.449 ' HB2' ' NH1' ' A' ' 37' ' ' ARG . 0.2 OUTLIER -146.64 133.93 20.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.275 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.465 ' HB2' ' CE2' ' A' ' 23' ' ' TYR . 10.8 ttp180 -75.25 103.94 5.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 110.311 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.464 ' CD1' ' HB2' ' A' ' 24' ' ' LEU . 12.9 m-85 -96.71 150.87 20.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.434 HG23 ' NH1' ' A' ' 42' ' ' ARG . 14.6 p -135.95 132.78 50.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.342 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -109.92 141.89 42.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.33 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.434 ' NH1' HG23 ' A' ' 40' ' ' VAL . 3.2 mtt85 -139.86 166.63 24.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.314 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -132.81 145.35 50.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.464 1.102 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.459 ' HA ' ' HA ' ' A' ' 45' ' ' PRO . 1.9 t0 49.99 97.48 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.477 ' O ' ' CB ' ' A' ' 46' ' ' ALA . 18.3 Cg_endo -74.98 -3.97 19.97 Favored 'Cis proline' 0 C--N 1.361 1.197 0 C-N-CA 121.005 -2.498 . . . . 0.0 111.011 -0.003 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.486 ' HB2' ' CD1' ' A' ' 122' ' ' LEU . . . 82.7 122.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.586 ' CE1' ' OE1' ' A' ' 13' ' ' GLU . 4.5 m-85 -159.98 156.36 26.96 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.479 1.112 . . . . 0.0 110.969 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 55.7 tp -124.65 113.7 18.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.147 . . . . 0.0 109.298 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.573 ' CD2' HD23 ' A' ' 14' ' ' LEU . 47.8 m80 -123.21 157.02 33.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.633 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.599 ' C ' ' CD1' ' A' ' 51' ' ' TYR . 13.7 p90 -133.08 176.57 8.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 110.978 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.599 ' CD1' ' C ' ' A' ' 50' ' ' TYR . 26.8 m-85 -151.49 147.41 26.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 111.015 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -84.69 115.63 61.6 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -0.59 10.14 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.537 1.809 . . . . 0.0 110.971 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 7.1 t -93.99 -10.78 32.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.021 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.5 mmtt -133.71 -171.24 2.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.13 . . . . 0.0 109.284 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -121.39 -103.77 0.4 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.307 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 69.93 154.56 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.334 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 49.2 m-20 -100.93 63.69 1.03 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 168.13 161.34 0.15 Allowed Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.452 1.095 . . . . 0.0 110.347 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.55 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 18.4 Cg_endo -74.99 159.78 40.98 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.476 1.777 . . . . 0.0 111.012 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.576 ' HB ' ' CE2' ' A' ' 50' ' ' TYR . 3.5 t -68.25 -32.49 56.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -165.73 -134.48 1.68 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.502 1.126 . . . . 0.0 111.038 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.486 ' HA3' ' CD2' ' A' ' 49' ' ' HIS . . . 137.06 141.07 4.19 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.486 ' CD1' ' N ' ' A' ' 64' ' ' PHE . 2.9 p90 -133.33 155.76 48.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 0.753 . . . . 0.0 111.006 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 98.4 p -70.59 160.81 31.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.568 1.168 . . . . 0.0 110.029 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.423 ' O ' ' C ' ' A' ' 67' ' ' ARG . 69.7 mt -112.51 -37.16 5.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -37.37 -60.73 0.65 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 110.279 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -96.28 55.85 1.49 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.476 1.11 . . . . 0.0 110.991 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.0 m -143.12 -173.85 4.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 0.755 . . . . 0.0 110.026 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 95' ' ' ILE . 0.8 OUTLIER -152.48 168.46 25.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.267 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.485 ' CG1' ' HG2' ' A' ' 120' ' ' LYS . 10.2 p -152.98 145.03 15.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.2 m -157.78 165.84 34.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 110.06 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -89.44 161.83 16.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.449 ' O ' ' CB ' ' A' ' 75' ' ' GLU . 6.5 mt -115.0 -164.32 0.93 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.333 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.449 ' CB ' ' O ' ' A' ' 74' ' ' LEU . 0.4 OUTLIER 82.33 61.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 0.0 110.297 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -88.14 79.35 7.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.325 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.402 ' O ' ' O ' ' A' ' 78' ' ' GLY . 2.7 m120 58.77 70.86 0.62 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 77' ' ' ASN . . . 59.73 122.55 0.01 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.458 1.099 . . . . 0.0 111.01 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.436 HG21 ' CB ' ' A' ' 86' ' ' ASN . 71.3 t 62.17 127.12 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.531 0.783 . . . . 0.0 109.321 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -163.92 0.21 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.501 1.79 . . . . 0.0 110.951 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 30.0 m -83.55 118.33 23.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.396 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 38.35 87.35 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.503 1.127 . . . . 0.0 111.014 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 3.8 t -142.45 134.77 26.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.554 0.796 . . . . 0.0 109.302 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.78 143.08 5.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.301 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 54.9 -111.8 2.44 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.516 1.135 . . . . 0.0 111.011 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.436 ' CB ' HG21 ' A' ' 79' ' ' VAL . 17.2 p-10 -173.05 89.87 0.08 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 0.747 . . . . 0.0 109.266 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.508 HG22 ' CZ2' ' A' ' 34' ' ' TRP . 1.1 p -79.67 151.54 4.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -153.75 164.42 38.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.26 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 108.73 -159.17 14.29 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.501 1.126 . . . . 0.0 111.053 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -79.86 84.12 5.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 0.741 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.403 HD23 ' CG ' ' A' ' 105' ' ' GLN . 1.5 mt -113.51 179.33 3.99 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.433 1.083 . . . . 0.0 109.262 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.455 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 20.6 p90 -172.98 156.24 3.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 110.983 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.94 162.22 20.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 52.4 t -131.05 108.29 14.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.574 HG12 ' CD2' ' A' ' 101' ' ' HIS . 14.0 mt -86.36 112.13 22.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 33.8 p -86.2 -179.56 6.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 110.427 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.1 -13.81 40.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -95.6 8.98 41.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 15.8 t70 62.29 21.57 12.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.311 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.468 HG23 ' CE2' ' A' ' 102' ' ' TYR . 87.3 m -84.47 123.17 29.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 110.438 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.574 ' CD2' HG12 ' A' ' 95' ' ' ILE . 21.2 m170 -93.53 108.51 20.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 109.585 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.468 ' CE2' HG23 ' A' ' 100' ' ' THR . 40.8 m-85 -94.54 102.43 14.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 110.984 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 54.7 m-85 -75.72 116.61 16.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 111.03 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.455 ' HB ' ' CZ ' ' A' ' 92' ' ' PHE . 64.7 mt -127.66 164.16 29.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.472 ' HB3' ' CB ' ' A' ' 25' ' ' ALA . 26.4 tt0 -121.5 144.73 48.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.272 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -99.99 154.87 18.04 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.444 1.09 . . . . 0.0 109.301 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.3 t -58.93 -52.23 66.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.987 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.66 179.22 5.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 109.947 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? -61.45 -42.9 99.48 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -68.43 -51.6 42.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.452 ' HG3' ' CD1' ' A' ' 115' ' ' TRP . 1.0 OUTLIER -42.55 -38.38 1.95 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.296 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.407 ' HG2' ' CD1' ' A' ' 116' ' ' ILE . 35.2 ttp180 -62.69 -70.22 0.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.309 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -44.91 -37.07 3.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 109.29 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -69.04 -54.26 16.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.312 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' TRP . . . . . 0.52 ' CD2' ' HG2' ' A' ' 20' ' ' LYS . 46.8 m95 -57.37 -27.43 62.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 107.993 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.417 ' O ' ' C ' ' A' ' 117' ' ' GLU . 83.1 mt -78.28 -76.35 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 109.263 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 116' ' ' ILE . 2.5 tt0 -36.38 -41.19 0.27 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.453 1.096 . . . . 0.0 110.267 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -57.13 -60.28 3.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 109.282 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 17.7 mt -53.51 -45.25 58.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 109.291 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.485 ' HG2' ' CG1' ' A' ' 71' ' ' VAL . 29.4 mttt -46.28 -52.37 12.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 15.6 mttt -47.98 -60.23 2.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 109.276 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.486 ' CD1' ' HB2' ' A' ' 46' ' ' ALA . 0.1 OUTLIER -47.68 -56.22 7.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 109.289 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 19.3 p -69.28 172.52 6.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 110.438 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -58.58 125.84 25.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.992 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 113.58 99.72 2.38 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.473 1.108 . . . . 0.0 111.057 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -53.22 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.448 1.762 . . . . 0.0 111.029 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 32.1 t 54.93 91.44 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.066 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 9.5 m -151.97 -59.96 0.16 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 110.018 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.488 1.117 . . . . 0.0 110.958 179.971 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.3 m -79.15 146.65 33.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 0.767 . . . . 0.0 109.979 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -159.96 -48.97 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.03 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -53.7 128.52 39.8 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.485 1.116 . . . . 0.0 110.994 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.97 -58.41 2.17 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.477 0.751 . . . . 0.0 109.977 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 66.38 134.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.02 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.01 131.71 2.37 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.478 1.111 . . . . 0.0 111.008 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -121.12 102.1 8.09 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 0.764 . . . . 0.0 109.999 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -167.93 116.16 0.75 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 90.0 p -45.11 157.55 0.08 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 110.018 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.468 ' CG2' ' HB2' ' A' ' 14' ' ' LEU . 91.9 m -68.97 171.62 7.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 0.0 110.426 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.423 HG22 ' N ' ' A' ' 13' ' ' GLU . 0.7 OUTLIER -147.38 -79.79 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.601 ' CD ' ' CE2' ' A' ' 47' ' ' PHE . 5.8 mt-10 -65.0 -37.26 87.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 110.288 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.511 HD13 ' CG ' ' A' ' 49' ' ' HIS . 2.5 mm? -82.59 4.82 23.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.4 t -96.85 59.45 1.71 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.972 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -132.35 153.9 20.8 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.482 1.114 . . . . 0.0 110.958 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.6 m -67.43 123.29 19.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 0.779 . . . . 0.0 110.39 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.406 ' CG1' ' HG3' ' A' ' 21' ' ' GLN . 2.1 t -63.17 123.78 16.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -112.9 -33.8 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.522 ' HG2' ' CD2' ' A' ' 115' ' ' TRP . 2.4 tptt -145.81 139.9 26.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.443 ' NE2' ' CG2' ' A' ' 40' ' ' VAL . 4.9 mt-30 -145.62 148.99 33.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 110.276 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 160.73 -175.15 37.45 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.533 1.146 . . . . 0.0 110.996 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.515 ' CE2' ' HB2' ' A' ' 38' ' ' ARG . 66.7 m-85 -109.69 127.57 54.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 0.755 . . . . 0.0 111.011 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.486 ' HB2' ' CD1' ' A' ' 39' ' ' PHE . 20.2 mt -127.13 169.77 13.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.266 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -106.74 151.04 25.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.32 103.38 9.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.427 ' NE2' HG23 ' A' ' 83' ' ' VAL . 3.2 tt0 -64.76 120.5 12.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.297 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -163.04 -55.3 0.02 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.531 1.144 . . . . 0.0 110.979 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -47.74 164.55 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 0.777 . . . . 0.0 109.582 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -122.3 63.5 0.95 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.0 mtt85 178.63 117.74 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 110.258 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 52.95 -174.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.254 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 8.8 m-80 -48.59 174.29 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.496 1.122 . . . . 0.0 109.327 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.603 ' N ' ' CD1' ' A' ' 34' ' ' TRP . 0.0 OUTLIER -90.39 -177.39 5.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 107.977 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.0 mttt -93.54 157.36 16.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.349 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.4 t -95.64 146.61 6.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 28.9 mmt85 -146.42 158.81 43.94 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.111 . . . . 0.0 110.29 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.515 ' HB2' ' CE2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -91.66 104.56 17.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.28 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.486 ' CD1' ' HB2' ' A' ' 24' ' ' LEU . 23.1 m-85 -97.21 132.51 42.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 111.003 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.493 ' CG1' ' O ' ' A' ' 49' ' ' HIS . 14.5 p -116.27 139.4 43.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.474 ' CB ' ' HB3' ' A' ' 20' ' ' LYS . 0.4 OUTLIER -113.45 124.57 52.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 109.305 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.415 ' NH1' HG12 ' A' ' 40' ' ' VAL . 31.9 mtt85 -124.72 157.27 36.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 110.31 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 45' ' ' PRO . 0.6 OUTLIER -134.5 148.69 50.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.147 . . . . 0.0 109.316 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 45' ' ' PRO . 0.5 OUTLIER 42.87 83.15 0.21 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.425 1.078 . . . . 0.0 109.281 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.462 ' O ' ' N ' ' A' ' 44' ' ' ASP . 18.3 Cg_endo -74.96 176.53 43.0 Favored 'Cis proline' 0 C--N 1.36 1.17 0 C-N-CA 121.004 -2.498 . . . . 0.0 110.987 -0.031 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.551 ' O ' ' CD1' ' A' ' 47' ' ' PHE . . . -95.37 109.48 21.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.601 ' CE2' ' CD ' ' A' ' 13' ' ' GLU . 27.3 m-85 -160.2 148.49 16.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 110.987 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.542 HD22 ' CE2' ' A' ' 64' ' ' PHE . 3.0 tp -129.74 113.49 14.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.511 ' CG ' HD13 ' A' ' 14' ' ' LEU . 67.4 m80 -119.22 161.2 20.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.635 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.561 ' CE2' ' HB ' ' A' ' 61' ' ' VAL . 6.5 p90 -145.06 151.73 38.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 111.023 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.551 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 15.8 m-85 -123.79 143.47 50.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 111.015 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -76.89 125.63 86.74 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 -12.13 21.67 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.516 1.798 . . . . 0.0 110.98 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 73.4 m -84.89 -30.49 24.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.029 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.413 ' HG3' ' N ' ' A' ' 56' ' ' GLU . 3.4 tptt -104.68 149.39 25.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.413 ' N ' ' HG3' ' A' ' 55' ' ' LYS . 2.0 tt0 -116.47 56.33 0.79 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 110.258 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -89.55 163.44 15.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.305 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.404 ' O ' ' CB ' ' A' ' 59' ' ' ARG . 5.8 m120 -95.19 64.82 2.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.404 ' CB ' ' O ' ' A' ' 58' ' ' ASN . 0.5 OUTLIER 165.31 166.46 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.551 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 18.3 Cg_endo -75.03 167.96 25.87 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.516 1.798 . . . . 0.0 111.033 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.561 ' HB ' ' CE2' ' A' ' 50' ' ' TYR . 2.6 t -69.89 -30.34 43.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 139.76 73.48 0.05 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.507 1.129 . . . . 0.0 111.015 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -64.03 -179.81 6.36 Favored Glycine 0 CA--C 1.531 1.069 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.542 ' CE2' HD22 ' A' ' 48' ' ' LEU . 1.9 p90 -134.05 163.65 29.1 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.58 0.812 . . . . 0.0 110.999 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 30.4 p -72.76 158.46 35.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.032 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.406 ' O ' ' C ' ' A' ' 67' ' ' ARG . 94.1 mt -109.33 -42.5 4.35 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.115 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -38.01 -58.24 0.96 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.286 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -98.34 55.64 1.08 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.48 1.112 . . . . 0.0 111.014 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 25.0 m -145.61 177.41 8.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 0.762 . . . . 0.0 110.006 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 95' ' ' ILE . 15.3 tp -154.48 155.17 34.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 109.286 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.54 ' CG1' ' HG3' ' A' ' 120' ' ' LYS . 7.1 p -132.6 149.84 32.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 13.2 m -161.7 160.62 28.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.978 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -97.76 159.42 14.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -96.87 163.98 12.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 109.349 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -166.04 132.02 2.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.273 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 174.48 -58.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 168.65 93.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 38.15 -109.14 0.09 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.466 1.104 . . . . 0.0 111.03 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.5 t -59.58 119.93 44.43 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.557 0.798 . . . . 0.0 109.282 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -166.63 0.36 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.461 1.769 . . . . 0.0 111.005 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.42 ' O ' ' N ' ' A' ' 83' ' ' VAL . 20.5 m -66.54 -126.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.391 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -55.71 87.92 0.01 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.485 1.116 . . . . 0.0 110.998 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.427 HG23 ' NE2' ' A' ' 27' ' ' GLN . 3.5 t -154.39 102.22 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.541 0.789 . . . . 0.0 109.279 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 8.9 mmtp -53.94 152.49 5.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 55.54 166.03 0.04 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.512 1.132 . . . . 0.0 110.972 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 6.5 p-10 -93.26 137.61 32.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.532 0.783 . . . . 0.0 109.271 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.438 HG12 ' CZ2' ' A' ' 34' ' ' TRP . 3.4 m -86.28 179.63 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 109.301 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.426 ' NE2' ' O ' ' A' ' 106' ' ' ALA . 6.7 mm-40 -63.36 -51.26 66.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 110.274 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 136.1 -14.39 4.05 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.466 1.104 . . . . 0.0 111.009 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -140.37 54.87 1.62 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 0.757 . . . . 0.0 109.311 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.444 ' CD2' ' HG3' ' A' ' 105' ' ' GLN . 3.5 mt -81.88 -160.23 0.35 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.267 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.572 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 24.8 p90 -167.81 179.0 4.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.54 1.15 . . . . 0.0 110.993 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.405 ' HB3' ' CD1' ' A' ' 103' ' ' TYR . 0.0 OUTLIER -139.8 164.99 28.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.438 1.086 . . . . 0.0 109.292 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 71.4 t -134.1 113.61 18.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.114 . . . . 0.0 109.339 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.573 HG12 ' CD2' ' A' ' 101' ' ' HIS . 12.4 mt -87.82 114.98 27.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.431 1.082 . . . . 0.0 109.281 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 24.8 p -85.66 -177.94 6.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.403 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.23 -13.8 59.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.271 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -93.53 8.82 39.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 50.0 t0 62.76 21.54 12.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.346 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.458 HG23 ' CE1' ' A' ' 102' ' ' TYR . 59.0 m -88.43 120.12 29.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.117 . . . . 0.0 110.373 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.573 ' CD2' HG12 ' A' ' 95' ' ' ILE . 14.6 m170 -87.39 105.54 17.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.57 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.458 ' CE1' HG23 ' A' ' 100' ' ' THR . 26.7 m-85 -92.87 100.88 13.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 111.006 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.405 ' CD1' ' HB3' ' A' ' 93' ' ' LYS . 4.0 m-85 -74.84 122.73 23.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 110.971 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.572 ' HB ' ' CZ ' ' A' ' 92' ' ' PHE . 36.6 mt -119.49 164.04 16.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.491 ' HB2' ' CZ3' ' A' ' 34' ' ' TRP . 3.5 tt0 -113.63 139.05 49.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 110.315 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.479 ' CB ' ' HB2' ' A' ' 112' ' ' ARG . . . -106.21 145.8 31.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 109.329 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.4 t -55.88 -45.23 78.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.02 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -137.33 169.56 17.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.014 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -58.09 -24.59 59.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -85.4 -51.73 6.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -39.44 -41.21 0.93 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.325 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.479 ' HB2' ' CB ' ' A' ' 106' ' ' ALA . 8.7 ttp180 -61.82 -66.8 0.48 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.453 1.095 . . . . 0.0 110.279 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -43.3 -34.25 1.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.289 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -72.41 -50.83 23.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 110.293 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' TRP . . . . . 0.522 ' CD2' ' HG2' ' A' ' 20' ' ' LYS . 63.4 m95 -62.41 -25.05 67.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 108.051 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.472 HG23 ' CD ' ' A' ' 120' ' ' LYS . 43.7 mt -79.06 -76.96 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 116' ' ' ILE . 1.8 tt0 -36.11 -39.81 0.19 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 110.331 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -56.67 -69.71 0.14 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.49 ' CD1' ' O ' ' A' ' 115' ' ' TRP . 13.3 mt -40.49 -59.5 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.54 ' HG3' ' CG1' ' A' ' 71' ' ' VAL . 0.0 OUTLIER -38.71 -54.51 1.57 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 120' ' ' LYS . 14.5 mttt -38.92 -60.34 0.86 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.339 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.494 ' CD1' ' HB2' ' A' ' 46' ' ' ALA . 3.7 mm? -54.09 -55.25 29.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' THR . . . . . 0.42 ' O ' ' O ' ' A' ' 120' ' ' LYS . 7.1 p -64.82 166.08 9.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.432 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 97.0 p -73.66 104.2 4.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.009 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -147.16 -158.68 7.95 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.49 1.119 . . . . 0.0 111.007 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 148.16 34.89 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.533 1.807 . . . . 0.0 110.984 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 2.1 m -142.62 136.5 29.21 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.533 1.146 . . . . 0.0 110.011 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 57.69 106.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.965 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.513 1.133 . . . . 0.0 110.988 179.996 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.95 91.32 3.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 0.776 . . . . 0.0 110.018 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -139.97 -59.55 0.55 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 110.023 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -99.89 -137.24 9.71 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.433 1.083 . . . . 0.0 111.03 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.8 m 59.84 168.01 0.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 0.747 . . . . 0.0 109.992 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.2 p 51.6 98.32 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.521 1.138 . . . . 0.0 109.976 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 105.66 78.52 1.2 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.547 1.155 . . . . 0.0 110.987 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -149.23 -47.35 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 0.777 . . . . 0.0 110.003 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.5 mp 61.85 106.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -167.01 173.04 9.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.009 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.466 HG23 ' CD1' ' A' ' 14' ' ' LEU . 50.2 m 60.67 164.27 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.385 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.47 ' CG1' ' N ' ' A' ' 13' ' ' GLU . 6.0 p -136.06 -52.25 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.47 ' N ' ' CG1' ' A' ' 12' ' ' VAL . 3.3 mp0 -59.46 -49.52 77.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.288 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.528 HD23 ' CD2' ' A' ' 49' ' ' HIS . 0.3 OUTLIER -82.64 2.13 34.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.285 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -93.17 25.11 3.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.435 1.084 . . . . 0.0 109.999 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -98.97 159.42 20.14 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.513 1.133 . . . . 0.0 111.0 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.8 m -75.98 126.93 31.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 0.759 . . . . 0.0 110.424 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.2 t -62.58 122.74 14.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 0.0 109.309 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.468 ' CG1' ' HE2' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -111.82 -31.5 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.336 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.512 ' HG2' ' CE3' ' A' ' 115' ' ' TRP . 2.7 tptt -152.55 143.59 23.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.596 ' NE2' ' H ' ' A' ' 21' ' ' GLN . 0.0 OUTLIER -156.41 167.22 31.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 110.29 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 150.61 -153.61 25.12 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.541 1.151 . . . . 0.0 111.002 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -124.43 114.77 19.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 0.777 . . . . 0.0 111.026 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.452 ' HB2' ' CD1' ' A' ' 39' ' ' PHE . 47.6 mt -107.45 168.17 9.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -114.84 115.27 26.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 109.344 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.464 ' HD3' ' CG1' ' A' ' 104' ' ' ILE . 0.0 OUTLIER -85.97 153.17 22.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.327 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.45 ' HG3' ' CE2' ' A' ' 34' ' ' TRP . 2.9 tt0 -113.82 86.81 2.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.291 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 150.64 70.86 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.541 1.15 . . . . 0.0 110.967 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -178.18 130.36 0.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 0.755 . . . . 0.0 109.571 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.7 tttt 68.27 132.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.33 87.6 5.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 110.335 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 16.8 tptt -170.47 -76.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -156.34 -154.83 0.5 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.645 ' CZ2' ' CG1' ' A' ' 87' ' ' VAL . 13.4 m95 -66.44 170.33 6.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 108.01 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -138.74 124.57 19.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.268 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.6 t -74.35 117.29 18.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 109.277 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.5 ttp180 -122.86 157.54 32.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 110.313 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.2 ttp85 -91.69 113.11 25.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 110.267 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.452 ' CD1' ' HB2' ' A' ' 24' ' ' LEU . 24.9 m-85 -107.44 148.55 29.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 111.037 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 9.5 p -132.59 136.18 56.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.331 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.473 ' N ' ' O ' ' A' ' 20' ' ' LYS . 0.4 OUTLIER -110.72 124.33 51.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.352 179.942 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.472 ' CD ' ' HA ' ' A' ' 14' ' ' LEU . 54.3 mtt-85 -117.3 163.11 16.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.273 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.468 ' HE2' ' CG1' ' A' ' 19' ' ' VAL . 1.1 pttt -140.98 140.24 34.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.479 ' N ' ' C ' ' A' ' 45' ' ' PRO . 10.5 t0 49.64 77.64 0.45 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.296 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.479 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.3 Cg_endo -75.04 171.39 68.35 Favored 'Cis proline' 0 C--N 1.361 1.192 0 C-N-CA 120.988 -2.505 . . . . 0.0 110.998 0.036 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.482 ' HB2' ' CG ' ' A' ' 122' ' ' LEU . . . -97.36 99.25 10.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -141.94 160.57 39.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 110.996 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.546 HD22 ' CE2' ' A' ' 64' ' ' PHE . 21.1 tp -133.49 113.9 13.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.266 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.57 ' CD2' ' HA3' ' A' ' 63' ' ' GLY . 54.7 m80 -119.11 165.53 14.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.604 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.591 ' CE2' ' HB ' ' A' ' 61' ' ' VAL . 2.6 p90 -152.88 164.14 38.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 111.007 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.578 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 3.0 m-85 -139.56 139.11 36.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 110.976 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -74.65 125.34 89.72 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -39.7 1.12 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.521 1.8 . . . . 0.0 111.013 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 45.7 m -46.63 -45.13 18.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 110.016 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 26.5 mmtt -79.12 179.23 7.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.158 . . . . 0.0 109.271 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -130.22 75.08 1.63 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 110.285 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -138.07 172.62 12.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 110.283 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.52 ' O ' ' CE2' ' A' ' 51' ' ' TYR . 22.3 m-20 -103.4 -45.0 4.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 8.9 mtp180 -57.73 149.52 52.27 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.157 . . . . 0.0 110.278 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.578 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 18.4 Cg_endo -74.95 163.98 34.32 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.437 1.756 . . . . 0.0 111.044 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.591 ' HB ' ' CE2' ' A' ' 50' ' ' TYR . 2.4 t -69.28 -32.13 52.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.573 1.171 . . . . 0.0 109.293 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 147.65 74.44 0.02 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.513 1.133 . . . . 0.0 110.97 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.57 ' HA3' ' CD2' ' A' ' 49' ' ' HIS . . . -59.93 167.03 9.42 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.546 ' CE2' HD22 ' A' ' 48' ' ' LEU . 1.3 p90 -133.75 159.5 40.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 0.763 . . . . 0.0 110.962 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 77.0 p -70.81 159.56 34.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.987 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.44 ' O ' ' C ' ' A' ' 67' ' ' ARG . 49.7 mt -114.2 -34.66 5.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.44 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -35.68 -65.83 0.23 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 110.311 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -95.15 51.54 1.89 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.485 1.115 . . . . 0.0 111.0 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 73.2 m -130.82 -179.99 5.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 0.748 . . . . 0.0 109.995 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.534 ' CD1' ' N ' ' A' ' 71' ' ' VAL . 3.1 tm? -155.97 154.13 30.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.534 ' N ' ' CD1' ' A' ' 70' ' ' LEU . 6.6 p -139.25 140.36 37.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.097 . . . . 0.0 109.344 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.414 ' O ' ' HB2' ' A' ' 92' ' ' PHE . 6.9 p -141.13 170.11 16.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.977 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -113.07 135.63 53.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.267 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.455 ' CD1' ' HB2' ' A' ' 91' ' ' LEU . 1.2 mt -78.92 103.61 8.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -122.48 108.11 12.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 110.297 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.436 ' O ' ' N ' ' A' ' 78' ' ' GLY . 0.1 OUTLIER -179.57 162.3 1.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.328 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.44 ' O ' ' N ' ' A' ' 79' ' ' VAL . 75.6 m-20 -48.7 94.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.338 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 76' ' ' ASP . . . 45.03 -94.15 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.523 1.139 . . . . 0.0 110.979 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.44 ' N ' ' O ' ' A' ' 77' ' ' ASN . 83.0 t -41.64 127.08 2.42 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.491 0.76 . . . . 0.0 109.267 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -77.65 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.476 1.777 . . . . 0.0 111.022 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.3 m -149.05 -72.43 0.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.431 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -122.66 69.62 0.44 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.486 1.116 . . . . 0.0 111.037 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.467 HG13 ' CG2' ' A' ' 87' ' ' VAL . 50.7 t -140.91 155.26 21.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.479 0.752 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.403 ' O ' ' O ' ' A' ' 83' ' ' VAL . 0.2 OUTLIER -43.72 -91.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -89.72 -132.19 4.66 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.494 1.121 . . . . 0.0 110.996 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -112.62 21.06 16.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 0.756 . . . . 0.0 109.304 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.645 ' CG1' ' CZ2' ' A' ' 34' ' ' TRP . 61.3 t 58.14 -104.83 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.344 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -133.87 -110.43 0.22 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 110.288 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.419 ' N ' HD13 ' A' ' 91' ' ' LEU . . . -137.69 134.15 6.8 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.521 1.138 . . . . 0.0 111.004 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 42.8 m-20 60.77 -87.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 0.776 . . . . 0.0 109.334 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.494 HD12 ' CG1' ' A' ' 87' ' ' VAL . 1.0 OUTLIER 65.35 -178.18 0.18 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.414 ' HB2' ' O ' ' A' ' 72' ' ' SER . 15.0 p90 -161.29 154.07 20.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 111.039 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.492 ' HE2' ' CG1' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -119.08 163.62 16.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 60.8 t -124.43 101.01 8.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.588 HG21 ' CD2' ' A' ' 101' ' ' HIS . 78.7 mt -85.85 99.93 8.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 2.1 p -76.16 -175.87 3.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.397 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.41 -28.77 67.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 99' ' ' ASP . 1.1 m-20 -87.84 11.66 15.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.519 ' C ' ' CD2' ' A' ' 101' ' ' HIS . 42.7 m-20 40.15 44.37 1.52 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.105 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.555 HG22 ' CE2' ' A' ' 102' ' ' TYR . 3.4 m -70.8 -46.06 63.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 110.413 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.588 ' CD2' HG21 ' A' ' 95' ' ' ILE . 4.7 m170 78.34 89.14 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.601 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.555 ' CE2' HG22 ' A' ' 100' ' ' THR . 49.4 m-85 -99.54 106.85 18.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 110.979 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -73.86 128.83 36.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.985 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.481 ' CG2' ' N ' ' A' ' 105' ' ' GLN . 24.4 mt -137.38 163.91 30.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.481 ' N ' ' CG2' ' A' ' 104' ' ' ILE . 28.7 tt0 -121.75 148.46 44.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.14 . . . . 0.0 110.259 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -100.69 149.26 23.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.54 -48.3 74.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.989 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 109' ' ' LYS . 0.2 OUTLIER -135.98 155.3 50.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.012 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 108' ' ' SER . 22.8 mtmt -40.42 -42.02 1.51 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.8 -57.38 8.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.511 ' HG3' ' CD1' ' A' ' 115' ' ' TRP . 0.2 OUTLIER -39.13 -39.78 0.63 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.105 . . . . 0.0 110.288 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.481 ' CZ ' ' HB3' ' A' ' 112' ' ' ARG . 8.1 ttp-105 -57.88 -70.52 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.273 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.465 ' O ' ' N ' ' A' ' 117' ' ' GLU . . . -41.6 -50.82 4.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.496 ' O ' ' CB ' ' A' ' 118' ' ' ALA . 37.3 mm-40 -56.81 -58.34 8.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.331 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' TRP . . . . . 0.512 ' CE3' ' HG2' ' A' ' 20' ' ' LYS . 33.3 m95 -51.89 -40.65 61.01 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 49.6 mt -68.76 -78.37 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.569 1.168 . . . . 0.0 109.335 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' A' ' 113' ' ' ALA . 2.2 tt0 -38.17 -43.14 0.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.313 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.496 ' CB ' ' O ' ' A' ' 114' ' ' GLU . . . -55.04 -69.96 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 95.9 mt -44.96 -48.78 2.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.294 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.5 ' HG2' ' CG1' ' A' ' 71' ' ' VAL . 33.9 mttt -46.77 -49.31 19.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 16.9 mttt -45.69 -60.38 2.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.482 ' CG ' ' HB2' ' A' ' 46' ' ' ALA . 1.7 mm? -51.07 -55.08 19.39 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.12 . . . . 0.0 109.331 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 46.3 p -67.84 171.56 6.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.419 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.83 -66.59 0.54 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.489 1.118 . . . . 0.0 109.99 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 78.77 172.51 41.67 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.506 1.129 . . . . 0.0 110.999 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -43.61 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.481 1.78 . . . . 0.0 111.043 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 52.89 96.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.025 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 36.9 p -110.49 117.36 33.36 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.553 1.158 . . . . 0.0 109.996 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 O-C-N 124.455 1.097 . . . . 0.0 111.015 179.955 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.4 p -81.82 163.14 22.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 0.776 . . . . 0.0 109.991 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 68.58 136.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 110.002 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.69 142.54 13.39 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.489 1.118 . . . . 0.0 110.99 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -155.19 -64.59 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 0.779 . . . . 0.0 109.954 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 69.31 159.56 0.18 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.021 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.73 -137.59 5.51 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.488 1.118 . . . . 0.0 110.991 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 75.83 31.1 0.72 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 0.756 . . . . 0.0 110.029 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.8 mt -88.22 149.77 23.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.74 -45.77 67.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 110.013 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.0 m -146.64 161.23 40.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 110.379 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -147.24 -83.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.449 1.093 . . . . 0.0 109.353 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.53 ' CD ' ' CE2' ' A' ' 47' ' ' PHE . 2.6 mt-10 -51.64 -41.18 61.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.3 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.446 HD21 ' CD2' ' A' ' 49' ' ' HIS . 0.8 OUTLIER -89.1 14.97 9.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.344 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.7 t -103.43 51.2 0.79 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.033 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -122.96 159.72 17.55 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.489 1.118 . . . . 0.0 111.068 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.1 m -75.06 117.1 16.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 0.762 . . . . 0.0 110.411 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.6 t -48.73 124.18 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.403 ' CG2' ' C ' ' A' ' 42' ' ' ARG . 0.1 OUTLIER -111.16 -28.38 2.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.525 ' HG2' ' CD2' ' A' ' 115' ' ' TRP . 3.3 tttt -159.69 141.01 12.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.502 ' NE2' ' CG2' ' A' ' 40' ' ' VAL . 8.0 mt-30 -145.35 149.59 35.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.339 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 160.63 -171.99 36.89 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.5 1.125 . . . . 0.0 110.983 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.537 ' CE2' ' HB2' ' A' ' 38' ' ' ARG . 54.1 m-85 -115.04 121.48 43.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 0.782 . . . . 0.0 111.017 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.532 ' HB2' ' CD1' ' A' ' 39' ' ' PHE . 14.6 mt -113.52 172.73 6.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.531 ' O ' ' CZ3' ' A' ' 34' ' ' TRP . . . -123.96 102.42 7.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -98.31 130.11 45.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.511 ' HB2' ' CE2' ' A' ' 34' ' ' TRP . 24.3 tt0 -84.56 123.15 29.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 110.304 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 172.94 -176.21 45.77 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.494 1.121 . . . . 0.0 111.024 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 60.21 -171.15 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 0.742 . . . . 0.0 109.561 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -106.45 174.02 6.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 21.8 mtt-85 61.06 126.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 110.322 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 15.0 mmtt 62.78 144.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.279 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 21.8 m-80 -72.23 -85.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.312 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.531 ' CZ3' ' O ' ' A' ' 25' ' ' ALA . 14.0 m95 -94.44 133.87 37.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 108.017 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.05 137.26 54.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.4 t -79.62 136.68 23.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 21.9 mmt85 -140.86 156.36 46.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 110.292 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.537 ' HB2' ' CE2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -89.48 103.67 16.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.327 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.532 ' CD1' ' HB2' ' A' ' 24' ' ' LEU . 26.3 m-85 -97.33 131.6 43.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 111.029 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.502 ' CG2' ' NE2' ' A' ' 21' ' ' GLN . 10.7 p -117.71 138.92 46.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.458 ' CD1' ' HB1' ' A' ' 118' ' ' ALA . 0.6 OUTLIER -117.36 134.02 55.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.413 ' NH1' HG12 ' A' ' 40' ' ' VAL . 24.5 mtt85 -134.06 167.96 19.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.302 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 45' ' ' PRO . 0.8 OUTLIER -139.06 148.1 42.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 -179.939 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 45' ' ' PRO . 0.8 OUTLIER 41.53 82.48 0.22 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.445 ' O ' ' N ' ' A' ' 44' ' ' ASP . 18.3 Cg_endo -75.03 174.64 51.67 Favored 'Cis proline' 0 C--N 1.36 1.14 0 C-N-CA 121.015 -2.494 . . . . 0.0 111.003 0.025 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.437 ' CB ' ' HB3' ' A' ' 122' ' ' LEU . . . -99.72 103.53 15.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.328 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.53 ' CE2' ' CD ' ' A' ' 13' ' ' GLU . 7.9 m-85 -154.11 147.82 25.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 110.949 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.423 ' CD1' ' O ' ' A' ' 40' ' ' VAL . 8.2 tp -123.4 113.66 19.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.446 ' CD2' HD21 ' A' ' 14' ' ' LEU . 69.4 m80 -114.5 163.9 14.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.608 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.568 ' CE2' ' HB ' ' A' ' 61' ' ' VAL . 8.1 p90 -148.36 152.39 36.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 111.007 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.523 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 9.6 m-85 -125.18 144.35 50.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 111.005 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -81.91 122.95 80.41 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -4.39 15.33 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.506 1.793 . . . . 0.0 110.983 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -88.53 -39.4 14.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.986 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.41 173.95 7.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -142.84 96.07 2.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.311 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -145.85 159.72 42.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 110.304 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 65.4 m-20 -87.17 55.95 3.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.431 1.082 . . . . 0.0 109.305 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -175.56 155.66 1.7 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 110.266 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.523 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 18.5 Cg_endo -74.95 171.49 18.21 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.464 1.77 . . . . 0.0 111.072 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.568 ' HB ' ' CE2' ' A' ' 50' ' ' TYR . 2.6 t -69.8 -29.24 40.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 130.93 75.47 0.13 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.488 1.118 . . . . 0.0 111.024 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -61.3 -175.98 1.81 Allowed Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -133.7 165.11 25.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 0.77 . . . . 0.0 110.979 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.4 p -71.87 145.76 48.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.987 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.439 ' O ' ' C ' ' A' ' 67' ' ' ARG . 90.7 mt -101.21 -40.18 7.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -34.68 -59.33 0.47 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.317 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -101.7 47.51 1.17 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.505 1.128 . . . . 0.0 111.039 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 36.9 p -118.68 -179.0 3.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 0.752 . . . . 0.0 109.98 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 95' ' ' ILE . 64.5 tp -156.43 146.99 21.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.551 ' CG1' ' HG3' ' A' ' 120' ' ' LYS . 2.5 p -137.39 145.58 29.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.3 m -157.63 162.51 38.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 109.998 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -99.96 148.64 24.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.273 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.9 mt -87.93 103.27 15.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -101.47 94.05 5.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 110.286 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 31.5 p-10 178.57 94.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -67.19 101.22 0.87 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 133.37 70.64 0.08 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.47 1.106 . . . . 0.0 110.988 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.469 ' CG2' ' HB2' ' A' ' 86' ' ' ASN . 63.6 t 62.08 121.82 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.497 0.763 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 69.39 5.59 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.528 1.804 . . . . 0.0 110.991 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.419 ' O ' ' N ' ' A' ' 83' ' ' VAL . 15.5 m 63.3 94.53 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.424 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.456 ' O ' ' CG1' ' A' ' 79' ' ' VAL . . . 53.69 -89.96 0.01 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.506 1.129 . . . . 0.0 111.002 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.563 ' O ' ' CG1' ' A' ' 83' ' ' VAL . 4.0 t 65.79 7.6 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.523 0.778 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.2 mmtm 48.69 68.61 0.67 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 135.04 -104.86 0.52 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.485 1.116 . . . . 0.0 111.007 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.469 ' HB2' ' CG2' ' A' ' 79' ' ' VAL . 8.4 t30 170.43 156.59 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 0.751 . . . . 0.0 109.274 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.486 HG11 ' CD1' ' A' ' 91' ' ' LEU . 31.8 t -132.45 171.16 18.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.564 1.165 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.426 ' C ' HD13 ' A' ' 91' ' ' LEU . 43.4 mm-40 -66.74 -149.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.283 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -121.99 159.19 16.63 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.484 1.115 . . . . 0.0 110.989 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 7.0 m120 65.31 61.88 0.71 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 0.774 . . . . 0.0 109.289 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.486 ' CD1' HG11 ' A' ' 87' ' ' VAL . 1.0 OUTLIER -116.49 -177.1 3.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.344 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.567 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 10.0 p90 -161.11 159.39 29.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 111.006 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.443 ' HE2' ' CG1' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -122.38 167.02 13.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 78.2 t -127.05 100.64 6.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.446 1.091 . . . . 0.0 109.31 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.523 HG12 ' CG ' ' A' ' 101' ' ' HIS . 52.3 mt -86.51 110.74 20.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 43.4 p -86.99 179.0 6.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 110.386 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 1.9 tttp -60.75 -19.99 60.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.333 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 99' ' ' ASP . 53.4 m-20 -89.3 12.9 14.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.253 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.404 ' O ' ' OD2' ' A' ' 99' ' ' ASP . 4.2 p-10 40.03 43.36 1.28 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.332 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.567 HG21 ' CE1' ' A' ' 102' ' ' TYR . 18.9 m -78.27 -51.49 10.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.378 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.523 ' CG ' HG12 ' A' ' 95' ' ' ILE . 4.9 m170 79.04 94.42 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 109.62 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.567 ' CE1' HG21 ' A' ' 100' ' ' THR . 44.7 m-85 -103.45 112.72 25.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 111.011 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 3.5 m-30 -76.31 125.17 28.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.421 1.075 . . . . 0.0 111.018 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.567 ' HB ' ' CZ ' ' A' ' 92' ' ' PHE . 9.2 mt -131.35 149.17 32.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.481 ' HB2' ' CD2' ' A' ' 91' ' ' LEU . 7.4 tt0 -113.36 141.87 46.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.278 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.48 ' HA ' ' CD2' ' A' ' 24' ' ' LEU . . . -91.84 163.32 14.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.243 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 6.4 t -82.0 -47.08 13.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 110.01 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -124.05 151.27 43.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.097 . . . . 0.0 109.99 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -41.21 -54.93 2.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -58.67 -50.33 74.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.345 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.574 ' HG3' ' CD1' ' A' ' 115' ' ' TRP . 0.6 OUTLIER -41.78 -40.61 2.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.289 179.942 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.497 ' HD2' ' CD1' ' A' ' 116' ' ' ILE . 6.1 tmm_? -61.73 -69.03 0.27 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.283 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -46.24 -46.25 17.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.33 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -61.53 -61.04 2.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 110.323 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' TRP . . . . . 0.574 ' CD1' ' HG3' ' A' ' 111' ' ' GLU . 34.2 m95 -45.63 -32.7 2.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 108.019 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.497 ' CD1' ' HD2' ' A' ' 112' ' ' ARG . 25.9 mt -73.01 -77.73 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 116' ' ' ILE . 0.3 OUTLIER -35.09 -48.79 0.44 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 110.245 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.458 ' HB1' ' CD1' ' A' ' 41' ' ' LEU . . . -47.83 -62.96 1.2 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 20.3 mt -45.77 -54.66 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.303 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.551 ' HG3' ' CG1' ' A' ' 71' ' ' VAL . 0.0 OUTLIER -51.72 -53.32 40.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.14 . . . . 0.0 109.329 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . 0.403 ' HG3' ' O ' ' A' ' 117' ' ' GLU . 19.8 mttt -39.97 -57.38 1.63 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.261 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.437 ' HB3' ' CB ' ' A' ' 46' ' ' ALA . 0.6 OUTLIER -52.5 -56.21 16.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.267 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' THR . . . . . 0.412 ' O ' ' C ' ' A' ' 124' ' ' SER . 50.6 p -63.37 84.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 110.389 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 123' ' ' THR . 0.4 OUTLIER -38.63 132.46 1.17 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.027 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -133.41 -78.96 0.13 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.494 1.122 . . . . 0.0 111.047 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -53.84 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.479 1.779 . . . . 0.0 110.944 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.3 -60.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.019 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -152.55 160.14 43.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 110.04 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.475 1.109 . . . . 0.0 111.038 179.997 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.7 m -140.48 -58.91 0.53 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 0.734 . . . . 0.0 109.979 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.2 m -92.78 106.94 18.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.967 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.36 120.6 2.65 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.531 1.144 . . . . 0.0 111.04 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.2 p -158.05 161.53 38.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 0.747 . . . . 0.0 109.969 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.8 m -154.42 161.01 41.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.098 . . . . 0.0 110.033 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.37 138.93 10.17 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.467 1.105 . . . . 0.0 111.004 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 39.2 t -119.03 -54.91 2.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 0.769 . . . . 0.0 110.006 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -173.79 82.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -167.44 119.1 0.89 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.102 . . . . 0.0 109.991 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 70.8 m -108.79 164.02 12.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.399 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.419 ' CG1' ' H ' ' A' ' 13' ' ' GLU . 1.5 p -146.65 -71.41 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 109.274 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.419 ' H ' ' CG1' ' A' ' 12' ' ' VAL . 39.3 mt-10 -62.28 -42.97 99.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.32 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.568 HD22 ' CD2' ' A' ' 49' ' ' HIS . 2.0 mt -87.19 11.4 14.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.348 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.22 60.05 0.62 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 0.0 109.958 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -138.93 172.55 23.07 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.484 1.115 . . . . 0.0 111.017 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.429 ' CB ' ' HD3' ' A' ' 43' ' ' LYS . 13.8 m -76.38 143.2 40.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 0.761 . . . . 0.0 110.4 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.466 ' CG2' ' NE2' ' A' ' 21' ' ' GLN . 2.1 t -76.37 128.41 37.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.509 ' CG1' ' HD2' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -111.57 -41.37 4.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.558 ' HG2' ' CD2' ' A' ' 115' ' ' TRP . 4.6 tptt -148.17 140.15 24.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.466 ' NE2' ' CG2' ' A' ' 18' ' ' VAL . 81.8 mt-30 -142.86 147.8 35.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.301 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 165.32 -169.77 39.97 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.546 1.153 . . . . 0.0 111.042 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.544 ' CE1' ' HB2' ' A' ' 38' ' ' ARG . 85.6 m-85 -115.25 125.91 53.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 0.786 . . . . 0.0 111.001 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.461 ' HB2' ' CD1' ' A' ' 39' ' ' PHE . 20.4 mt -121.03 169.73 10.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 109.281 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -116.7 124.96 50.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.332 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.6 mmmt -98.44 135.59 39.79 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.548 1.155 . . . . 0.0 109.28 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.413 ' HG3' ' NE1' ' A' ' 34' ' ' TRP . 0.0 OUTLIER -98.42 138.2 36.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.3 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -170.73 -162.34 22.9 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.487 1.117 . . . . 0.0 110.974 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -127.95 101.05 6.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 0.775 . . . . 0.0 109.645 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -168.09 -68.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.343 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -143.99 122.14 12.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.154 . . . . 0.0 110.275 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 67.29 151.22 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.335 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 72.3 m-80 -63.58 -62.35 1.72 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.494 ' CZ2' ' CG1' ' A' ' 87' ' ' VAL . 31.8 m95 -119.14 122.78 42.83 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.1 mtpm? -107.66 129.82 54.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.5 t -73.47 144.55 12.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 24' ' ' LEU . 0.1 OUTLIER -151.06 164.88 35.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 110.272 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.544 ' HB2' ' CE1' ' A' ' 23' ' ' TYR . 1.4 ttp180 -98.72 105.15 17.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.103 . . . . 0.0 110.276 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.461 ' CD1' ' HB2' ' A' ' 24' ' ' LEU . 7.4 m-85 -96.64 136.26 37.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 110.993 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 8.8 p -122.65 140.51 46.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -116.9 118.32 32.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.431 1.082 . . . . 0.0 109.301 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.454 ' NH1' ' O ' ' A' ' 14' ' ' LEU . 1.7 mtp180 -122.15 148.76 44.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.346 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.509 ' HD2' ' CG1' ' A' ' 19' ' ' VAL . 0.0 OUTLIER -122.89 154.58 38.12 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.467 ' N ' ' C ' ' A' ' 45' ' ' PRO . 1.8 t70 44.09 78.58 0.38 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.467 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.3 Cg_endo -75.0 169.75 73.72 Favored 'Cis proline' 0 C--N 1.36 1.161 0 C-N-CA 120.981 -2.508 . . . . 0.0 110.997 -0.014 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.452 ' CB ' HD13 ' A' ' 122' ' ' LEU . . . -92.77 102.74 15.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.44 1.087 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.428 ' CD1' ' HB2' ' A' ' 45' ' ' PRO . 42.4 m-85 -150.16 166.09 30.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 111.031 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.563 HD21 ' CZ ' ' A' ' 64' ' ' PHE . 5.3 tp -141.87 113.31 7.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.568 ' CD2' HD22 ' A' ' 14' ' ' LEU . 60.0 m80 -117.47 166.76 11.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.603 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.544 ' CE1' ' N ' ' A' ' 63' ' ' GLY . 17.7 p90 -147.85 150.66 34.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 0.0 111.015 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.566 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 13.6 m-85 -127.48 153.61 46.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 111.033 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.523 ' N ' ' CG2' ' A' ' 61' ' ' VAL . 15.3 t0 -83.2 124.5 76.16 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.255 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -11.23 21.46 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.515 1.797 . . . . 0.0 111.017 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.2 m -86.28 -33.23 20.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.162 . . . . 0.0 110.011 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.455 ' CD ' ' OD2' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -88.26 173.66 8.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 179.95 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -147.28 84.91 1.58 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.324 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -153.99 150.48 28.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.324 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.6 m-20 -75.16 73.23 2.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.472 ' CD ' ' HD2' ' A' ' 60' ' ' PRO . 16.6 tpp180 -179.24 135.85 0.3 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.102 . . . . 0.0 110.332 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.566 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 18.3 Cg_endo -74.96 165.38 31.47 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.523 1.802 . . . . 0.0 110.952 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.523 ' CG2' ' N ' ' A' ' 52' ' ' ASP . 1.6 t -77.33 -18.74 14.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.277 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 179.68 -128.91 1.28 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.493 1.121 . . . . 0.0 111.015 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.544 ' N ' ' CE1' ' A' ' 50' ' ' TYR . . . 122.67 130.05 3.63 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.563 ' CZ ' HD21 ' A' ' 48' ' ' LEU . 2.6 p90 -117.54 154.19 31.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 0.746 . . . . 0.0 111.01 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.0 t -77.86 135.21 37.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.98 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.471 HD11 ' CB ' ' A' ' 122' ' ' LEU . 69.1 mt -80.63 -42.2 22.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 5.0 mmt180 -45.24 97.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.311 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 99.56 29.98 6.75 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.455 1.097 . . . . 0.0 111.012 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.46 ' N ' ' O ' ' A' ' 66' ' ' LEU . 36.9 m -117.3 -176.84 3.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 0.755 . . . . 0.0 110.04 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.472 ' N ' ' O ' ' A' ' 95' ' ' ILE . 1.1 tm? -151.85 161.64 42.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.269 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.527 ' CG1' ' CG ' ' A' ' 120' ' ' LYS . 7.7 p -149.88 144.44 17.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.7 m -160.2 161.14 33.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 109.956 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -94.23 142.92 26.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.483 ' CD1' ' HB2' ' A' ' 91' ' ' LEU . 1.0 OUTLIER -80.3 102.27 9.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -105.76 52.36 0.73 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.312 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.446 ' O ' ' N ' ' A' ' 78' ' ' GLY . 1.8 m-20 -126.59 101.89 6.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -59.29 85.93 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 76' ' ' ASP . . . 156.17 146.02 4.35 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.5 1.125 . . . . 0.0 110.989 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 33.2 m -60.61 144.18 89.43 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.564 0.802 . . . . 0.0 109.28 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 175.25 11.49 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.499 1.789 . . . . 0.0 110.96 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.469 ' O ' ' N ' ' A' ' 83' ' ' VAL . 4.3 m -45.67 130.85 9.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 110.408 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.422 ' O ' ' C ' ' A' ' 83' ' ' VAL . . . 49.05 -90.42 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.465 1.103 . . . . 0.0 111.014 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.469 ' N ' ' O ' ' A' ' 81' ' ' THR . 41.1 t 38.2 85.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.517 0.775 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt -47.53 -48.48 27.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -53.3 -19.22 7.96 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.451 1.094 . . . . 0.0 110.999 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 36.2 m120 40.34 53.55 2.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 0.758 . . . . 0.0 109.294 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.494 ' CG1' ' CZ2' ' A' ' 34' ' ' TRP . 6.3 p -95.2 149.1 4.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.485 ' O ' ' CD1' ' A' ' 91' ' ' LEU . 0.0 OUTLIER -143.1 -72.79 0.29 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 110.34 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 37.57 -95.36 0.01 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.451 1.094 . . . . 0.0 110.986 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.511 ' O ' ' CD ' ' A' ' 112' ' ' ARG . 14.8 t30 -163.92 29.53 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 0.79 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.485 ' CD1' ' O ' ' A' ' 88' ' ' GLN . 0.7 OUTLIER -52.81 -174.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 33.6 p90 -142.12 164.48 30.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.977 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.06 167.59 18.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.471 ' CG1' ' O ' ' A' ' 70' ' ' LEU . 81.5 t -135.48 120.84 29.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.561 HG12 ' CD2' ' A' ' 101' ' ' HIS . 9.0 mt -99.98 119.56 48.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 38.1 p -77.08 -177.62 4.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.45 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.64 -42.68 99.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.345 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.676 ' O ' ' CB ' ' A' ' 99' ' ' ASP . 0.2 OUTLIER -58.51 -51.58 69.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 109.29 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.676 ' CB ' ' O ' ' A' ' 98' ' ' ASP . 0.5 OUTLIER 140.42 -15.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 179.961 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.482 ' O ' ' HA ' ' A' ' 95' ' ' ILE . 52.8 m -42.32 148.37 0.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 110.419 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.561 ' CD2' HG12 ' A' ' 95' ' ' ILE . 47.3 m170 -116.55 113.05 22.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.544 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.46 ' CE1' HG23 ' A' ' 100' ' ' THR . 33.1 m-85 -102.31 111.54 23.87 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.545 1.153 . . . . 0.0 111.007 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -89.86 123.52 33.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 111.003 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.47 ' CG2' ' N ' ' A' ' 105' ' ' GLN . 81.5 mt -129.9 165.18 30.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.47 ' N ' ' CG2' ' A' ' 104' ' ' ILE . 10.8 tt0 -127.66 135.89 50.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.267 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -93.03 -179.73 5.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 0.0 109.269 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 41.2 t -89.19 -30.13 18.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.965 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.6 m -152.61 158.6 42.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.979 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.03 -46.29 21.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.1 . . . . 0.0 109.29 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.89 -44.16 93.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -47.38 -39.53 15.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.155 . . . . 0.0 110.335 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.511 ' CD ' ' O ' ' A' ' 90' ' ' ASN . 3.5 mtt-85 -57.67 -76.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.435 1.084 . . . . 0.0 110.26 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.466 ' C ' ' O ' ' A' ' 112' ' ' ARG . . . -35.36 -49.15 0.51 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.274 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.415 ' HB3' ' NZ ' ' A' ' 20' ' ' LYS . 1.3 mm-40 -55.91 -52.81 62.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 110.3 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' TRP . . . . . 0.558 ' CD2' ' HG2' ' A' ' 20' ' ' LYS . 60.1 m95 -65.87 -41.65 91.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 108.04 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.416 ' O ' ' C ' ' A' ' 117' ' ' GLU . 68.7 mt -61.14 -77.17 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.347 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 113' ' ' ALA . 2.7 tt0 -37.3 -51.68 1.07 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -47.68 -53.6 14.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.265 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 24.5 mt -55.62 -54.72 22.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.527 ' CG ' ' CG1' ' A' ' 71' ' ' VAL . 26.5 mttt -47.73 -51.45 22.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 18.8 mttt -43.03 -56.16 3.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 109.34 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.471 ' CB ' HD11 ' A' ' 66' ' ' LEU . 1.0 OUTLIER -54.37 -53.48 53.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 109.285 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 33.6 p -70.4 173.01 7.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.408 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 74.7 m -63.69 95.97 0.12 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.008 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -69.97 120.38 9.61 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.536 1.148 . . . . 0.0 110.995 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 76.71 3.32 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.451 1.764 . . . . 0.0 111.003 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 24.6 m 62.34 164.55 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 110.029 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 21.1 t -129.48 149.35 51.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.003 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.944 0 O-C-N 124.488 1.117 . . . . 0.0 111.011 179.97 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.6 p -159.76 134.24 7.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 0.758 . . . . 0.0 110.008 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.6 p -172.25 170.81 5.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 110.038 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.7 -177.43 51.12 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.513 1.133 . . . . 0.0 111.038 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -147.4 81.99 1.53 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 0.745 . . . . 0.0 109.988 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.72 141.99 49.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 109.992 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.9 -113.18 0.03 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.482 1.114 . . . . 0.0 111.025 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.1 p -159.39 88.42 0.87 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 0.769 . . . . 0.0 109.987 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -103.69 164.44 11.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -87.01 117.86 26.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.955 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.478 ' CG2' ' HB2' ' A' ' 14' ' ' LEU . 5.9 m -46.38 166.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.42 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.407 ' CG1' ' H ' ' A' ' 13' ' ' GLU . 1.6 p -149.55 -69.04 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.162 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.407 ' H ' ' CG1' ' A' ' 12' ' ' VAL . 46.2 mt-10 -58.63 -46.06 87.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.259 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.527 HD11 ' CG ' ' A' ' 49' ' ' HIS . 1.4 mm? -80.61 -0.39 37.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.316 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 24.5 t -93.2 55.88 2.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.963 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -135.75 162.61 24.96 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.46 1.1 . . . . 0.0 111.008 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.478 ' CB ' ' HD3' ' A' ' 43' ' ' LYS . 4.2 m -69.74 146.13 51.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 0.773 . . . . 0.0 110.387 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.3 t -82.57 126.62 40.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.148 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.499 ' CG1' ' HD2' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -109.67 -35.0 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.343 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.547 ' HG2' ' CD2' ' A' ' 115' ' ' TRP . 3.2 tptt -152.0 142.14 22.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -144.82 146.08 31.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 110.326 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 164.89 -164.37 36.97 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.5 1.125 . . . . 0.0 111.022 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.516 ' CZ ' ' HD3' ' A' ' 38' ' ' ARG . 57.4 m-85 -117.45 123.23 45.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 0.792 . . . . 0.0 110.984 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.575 ' HB2' ' CD1' ' A' ' 39' ' ' PHE . 35.9 mt -116.16 166.4 12.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.268 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.426 ' CB ' ' HB3' ' A' ' 105' ' ' GLN . . . -116.56 124.1 49.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.47 145.46 27.43 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -96.29 77.36 3.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.321 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -103.35 -100.87 2.61 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.568 1.167 . . . . 0.0 111.016 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -74.56 167.8 21.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.551 0.795 . . . . 0.0 109.6 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -56.45 -80.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 109.273 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 33' ' ' ASN . 0.0 OUTLIER 40.33 78.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.244 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 67.55 -71.37 0.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.45 ' N ' ' O ' ' A' ' 31' ' ' ARG . 57.9 m-80 -156.29 -78.01 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.627 ' CZ2' ' CG2' ' A' ' 87' ' ' VAL . 11.5 m95 -112.27 -176.66 2.97 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 21.7 mtpt -137.79 117.31 12.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.284 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.4 t -72.49 139.56 19.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.314 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 4.0 mtt-85 -150.65 160.06 44.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.313 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.516 ' HD3' ' CZ ' ' A' ' 23' ' ' TYR . 0.9 OUTLIER -89.45 107.0 18.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.276 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.575 ' CD1' ' HB2' ' A' ' 24' ' ' LEU . 14.8 m-85 -101.24 134.58 44.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 110.981 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.403 HG11 ' NH2' ' A' ' 42' ' ' ARG . 11.1 p -118.84 140.76 41.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.42 ' CD1' ' HB2' ' A' ' 118' ' ' ALA . 0.4 OUTLIER -112.38 113.64 25.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.27 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.434 ' NH1' HD12 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -115.91 145.48 42.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 110.3 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.499 ' HD2' ' CG1' ' A' ' 19' ' ' VAL . 0.0 OUTLIER -123.46 158.25 31.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 109.291 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.437 ' N ' ' C ' ' A' ' 45' ' ' PRO . 2.0 t0 38.68 79.91 0.3 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.437 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.3 Cg_endo -74.99 165.49 85.8 Favored 'Cis proline' 0 C--N 1.36 1.15 0 C-N-CA 121.019 -2.492 . . . . 0.0 111.021 -0.026 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.466 ' CB ' HD12 ' A' ' 122' ' ' LEU . . . -86.33 100.32 12.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.351 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -146.79 163.8 34.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 111.032 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.8 tp -141.09 113.69 8.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.354 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.527 ' CG ' HD11 ' A' ' 14' ' ' LEU . 70.5 m80 -119.85 161.61 20.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.574 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.575 ' CE2' ' HB ' ' A' ' 61' ' ' VAL . 12.1 p90 -146.62 150.07 34.76 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 111.018 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.569 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 11.2 m-85 -124.66 143.09 50.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.967 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -76.49 135.52 68.74 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -15.3 20.8 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.482 1.78 . . . . 0.0 111.02 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.7 t -89.33 -17.3 29.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.023 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.4 170.79 9.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.436 1.085 . . . . 0.0 109.296 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -141.48 81.32 1.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 110.259 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -154.25 150.46 28.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.282 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -74.44 -12.87 60.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.251 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 6.0 mtt-85 -90.03 146.03 34.25 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.312 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.569 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 18.3 Cg_endo -75.01 164.82 32.57 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.491 1.785 . . . . 0.0 111.022 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.575 ' HB ' ' CE2' ' A' ' 50' ' ' TYR . 2.8 t -64.02 -29.81 48.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 141.48 71.69 0.03 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.489 1.118 . . . . 0.0 110.951 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -64.33 179.03 7.63 Favored Glycine 0 CA--C 1.531 1.043 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.4 ' CD1' ' N ' ' A' ' 64' ' ' PHE . 1.6 p90 -134.09 157.81 45.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 0.775 . . . . 0.0 111.041 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 12.6 p -75.58 141.9 42.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.0 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 69' ' ' SER . 42.5 mt -95.64 -33.93 12.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 23.7 mmt180 -48.32 99.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.284 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 94.86 26.98 11.72 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.439 1.087 . . . . 0.0 111.0 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 66' ' ' LEU . 52.2 m -111.62 -174.68 2.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 0.747 . . . . 0.0 109.981 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 95' ' ' ILE . 2.9 tm? -155.01 156.6 36.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.496 ' CG1' ' HG2' ' A' ' 120' ' ' LYS . 8.6 p -140.85 145.98 24.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.332 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.3 p -155.52 168.32 27.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.024 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -97.92 168.5 10.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.426 HD22 ' CG ' ' A' ' 93' ' ' LYS . 2.6 mt -115.22 137.83 51.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.332 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 168.65 62.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.088 . . . . 0.0 110.321 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 77' ' ' ASN . 3.3 t70 -93.78 81.7 4.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.405 ' C ' ' O ' ' A' ' 76' ' ' ASP . 3.4 m-20 40.27 85.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.482 ' C ' ' CG1' ' A' ' 79' ' ' VAL . . . 58.21 108.51 0.01 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.51 1.131 . . . . 0.0 111.016 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.482 ' CG1' ' C ' ' A' ' 78' ' ' GLY . 1.5 m 60.43 144.73 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.524 0.779 . . . . 0.0 109.28 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -161.91 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.471 1.774 . . . . 0.0 110.993 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.2 m -64.14 -139.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 110.358 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -59.72 93.87 0.06 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.468 1.105 . . . . 0.0 111.004 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.466 ' O ' ' CG1' ' A' ' 83' ' ' VAL . 2.3 t -145.71 85.89 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.48 0.753 . . . . 0.0 109.327 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 83' ' ' VAL . 0.0 OUTLIER -37.36 150.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.09 . . . . 0.0 109.296 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 86' ' ' ASN . . . 37.58 44.76 1.32 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.471 1.107 . . . . 0.0 111.026 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.426 ' OD1' ' N ' ' A' ' 87' ' ' VAL . 10.1 p30 38.74 -156.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 0.782 . . . . 0.0 109.293 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.627 ' CG2' ' CZ2' ' A' ' 34' ' ' TRP . 9.6 p -133.43 163.79 36.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.455 ' O ' ' O ' ' A' ' 87' ' ' VAL . 13.4 mm100 -41.04 -96.39 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.093 . . . . 0.0 110.281 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -105.25 -109.56 3.42 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.521 1.138 . . . . 0.0 111.008 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -98.45 -48.73 4.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 0.76 . . . . 0.0 109.283 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.506 ' CD1' HG22 ' A' ' 87' ' ' VAL . 3.0 mp 55.27 -173.21 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.564 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 45.5 p90 -149.72 164.25 35.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 110.999 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.426 ' CG ' HD22 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -121.03 164.87 16.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 92.5 t -136.4 112.77 12.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.565 HG12 ' CD2' ' A' ' 101' ' ' HIS . 21.4 mt -96.83 102.49 13.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 15.1 p -82.25 -178.69 7.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.374 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 2.2 ptmt -65.78 -11.58 47.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 109.261 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -91.89 17.37 9.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 109.327 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 47.43 35.28 3.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.259 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.556 HG23 ' CE2' ' A' ' 102' ' ' TYR . 98.4 m -105.0 123.4 47.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 110.45 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.565 ' CD2' HG12 ' A' ' 95' ' ' ILE . 16.7 m170 -92.61 101.93 14.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.638 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.556 ' CE2' HG23 ' A' ' 100' ' ' THR . 37.9 m-85 -93.19 103.62 15.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 111.016 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -76.46 108.61 9.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 111.009 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.564 ' HB ' ' CZ ' ' A' ' 92' ' ' PHE . 73.2 mt -114.59 158.31 14.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.426 ' HB3' ' CB ' ' A' ' 25' ' ' ALA . 52.4 tt0 -107.27 165.93 11.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.32 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.477 ' CB ' ' HG3' ' A' ' 112' ' ' ARG . . . -129.03 160.56 32.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.267 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.14 -34.29 74.77 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.48 1.113 . . . . 0.0 109.997 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.67 177.55 11.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.95 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 34.3 mttt -59.1 -35.25 73.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -72.59 -48.1 42.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.28 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -45.53 -38.99 6.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 110.288 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.486 ' HD3' ' CA ' ' A' ' 91' ' ' LEU . 7.6 mtm-85 -56.73 -75.05 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.287 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' A' ' 117' ' ' GLU . . . -35.78 -54.97 0.73 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.236 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.408 ' O ' ' CB ' ' A' ' 118' ' ' ALA . 37.1 mm-40 -52.16 -55.04 23.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 110.281 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' TRP . . . . . 0.547 ' CD2' ' HG2' ' A' ' 20' ' ' LYS . 54.7 m95 -60.44 -47.12 87.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 108.038 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.401 ' O ' ' C ' ' A' ' 117' ' ' GLU . 5.5 mt -59.2 -76.76 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.493 ' N ' ' O ' ' A' ' 113' ' ' ALA . 2.8 tt0 -37.69 -47.88 1.01 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 110.28 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.42 ' HB2' ' CD1' ' A' ' 41' ' ' LEU . . . -49.32 -59.54 3.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 109.281 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 61.8 mt -54.18 -49.49 62.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 109.31 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.496 ' HG2' ' CG1' ' A' ' 71' ' ' VAL . 21.9 mttt -43.44 -52.3 6.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 14.5 mttt -46.84 -59.89 2.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.334 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.466 HD12 ' CB ' ' A' ' 46' ' ' ALA . 0.7 OUTLIER -45.1 -59.37 2.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.348 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' THR . . . . . 0.472 ' OG1' ' N ' ' A' ' 124' ' ' SER . 70.9 p -63.94 -81.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 110.374 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' SER . . . . . 0.472 ' N ' ' OG1' ' A' ' 123' ' ' THR . 2.8 m -89.31 143.21 27.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.134 . . . . 0.0 110.016 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -106.16 -101.44 2.72 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.503 1.127 . . . . 0.0 111.007 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 171.13 18.92 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.508 1.794 . . . . 0.0 110.996 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 45.76 93.51 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 110.0 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 41.3 t -144.65 -61.93 0.37 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.04 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.497 1.123 . . . . 0.0 110.97 179.952 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 m -170.94 156.82 5.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 0.752 . . . . 0.0 109.967 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -179.32 110.76 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.988 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.6 72.29 0.08 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.514 1.134 . . . . 0.0 111.009 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.4 p -152.61 79.25 1.22 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 0.769 . . . . 0.0 110.005 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.3 t -172.65 124.25 0.46 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 109.976 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.73 116.37 0.7 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.464 1.102 . . . . 0.0 111.002 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 29.1 t -169.33 -56.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 0.757 . . . . 0.0 109.998 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -159.18 95.47 1.26 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -151.3 64.67 0.89 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.0 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.492 ' OG1' ' N ' ' A' ' 12' ' ' VAL . 0.2 OUTLIER -133.72 -176.27 4.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.426 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.492 ' N ' ' OG1' ' A' ' 11' ' ' THR . 11.5 p -157.49 -48.91 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.415 ' HB3' ' CD2' ' A' ' 47' ' ' PHE . 1.5 mp0 -63.74 -39.22 93.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 110.301 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.445 HD22 ' CD2' ' A' ' 49' ' ' HIS . 0.5 OUTLIER -85.39 7.05 23.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.6 p -98.66 44.81 1.02 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 109.986 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -117.63 156.7 15.5 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.527 1.142 . . . . 0.0 111.03 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.6 m -70.03 121.05 16.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.449 0.735 . . . . 0.0 110.426 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.42 ' CG1' ' HG3' ' A' ' 21' ' ' GLN . 2.3 t -57.59 122.16 6.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.471 ' CG1' ' HE2' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -110.23 -27.15 2.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.529 1.143 . . . . 0.0 109.258 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.527 ' HG2' ' CD2' ' A' ' 115' ' ' TRP . 2.9 tptt -157.23 141.5 16.38 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.551 1.157 . . . . 0.0 109.361 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.492 ' NE2' ' CG2' ' A' ' 40' ' ' VAL . 6.7 mt-30 -144.93 148.15 33.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.288 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 163.12 -165.01 36.32 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.532 1.145 . . . . 0.0 111.017 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.565 ' CE2' ' HB2' ' A' ' 38' ' ' ARG . 68.8 m-85 -118.28 121.19 39.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 0.785 . . . . 0.0 110.989 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.561 ' HB2' ' CD1' ' A' ' 39' ' ' PHE . 51.2 mt -115.41 167.77 10.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.249 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.445 ' CB ' ' HB3' ' A' ' 105' ' ' GLN . . . -111.39 112.63 24.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.329 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.6 tttt -100.61 100.36 11.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.336 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.52 ' HB2' ' CE3' ' A' ' 34' ' ' TRP . 0.0 OUTLIER -64.77 153.52 39.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.351 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 79.27 103.26 0.23 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.497 1.123 . . . . 0.0 111.01 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.452 ' CE1' ' HB3' ' A' ' 30' ' ' LYS . 0.9 OUTLIER -170.56 -68.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.445 0.732 . . . . 0.0 109.581 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.452 ' HB3' ' CE1' ' A' ' 29' ' ' HIS . 1.0 OUTLIER -160.11 -50.32 0.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.266 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.66 165.19 0.9 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 110.272 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.9 ttpt -70.56 -70.1 0.32 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -77.31 -157.85 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.304 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.52 ' CE3' ' HB2' ' A' ' 27' ' ' GLN . 10.1 m95 -77.1 156.71 31.49 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.0 107.99 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.92 126.09 47.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.4 t -74.09 138.49 21.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 13.5 mtt-85 -146.83 153.47 40.2 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.446 1.091 . . . . 0.0 110.305 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.565 ' HB2' ' CE2' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -81.71 102.53 10.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.309 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.561 ' CD1' ' HB2' ' A' ' 24' ' ' LEU . 12.3 m-85 -96.72 134.42 40.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 110.981 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.492 ' CG2' ' NE2' ' A' ' 21' ' ' GLN . 9.4 p -116.67 141.57 34.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.466 ' CD1' ' HB1' ' A' ' 118' ' ' ALA . 0.4 OUTLIER -116.01 120.28 38.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 37.0 mtt-85 -125.24 149.25 48.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.286 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.471 ' HE2' ' CG1' ' A' ' 19' ' ' VAL . 1.4 pttt -126.23 148.22 49.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.481 ' N ' ' C ' ' A' ' 45' ' ' PRO . 44.3 t0 47.84 77.73 0.44 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.138 . . . . 0.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.481 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.4 Cg_endo -74.97 169.62 74.05 Favored 'Cis proline' 0 C--N 1.36 1.176 0 C-N-CA 121.033 -2.486 . . . . 0.0 111.0 -0.044 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.486 ' CB ' HD11 ' A' ' 122' ' ' LEU . . . -95.07 92.84 7.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.415 ' CD2' ' HB3' ' A' ' 13' ' ' GLU . 17.3 m-85 -139.38 155.59 47.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.471 1.107 . . . . 0.0 110.99 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.557 HD23 ' CE2' ' A' ' 64' ' ' PHE . 5.1 tp -132.75 113.72 13.29 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.445 ' CD2' HD22 ' A' ' 14' ' ' LEU . 67.4 m80 -116.35 158.18 23.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.408 1.068 . . . . 0.0 109.611 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 39.4 p90 -143.1 142.44 31.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 111.0 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.466 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 31.0 m-85 -116.39 163.68 15.68 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.535 1.147 . . . . 0.0 111.013 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.572 ' N ' ' CG2' ' A' ' 61' ' ' VAL . 0.0 OUTLIER -91.36 126.87 53.13 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.575 1.172 . . . . 0.0 109.33 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 -43.59 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.464 1.77 . . . . 0.0 111.026 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.86 -29.12 69.34 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 110.019 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.403 ' HB2' ' CG ' ' A' ' 52' ' ' ASP . 29.8 mmtt -95.63 176.06 6.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -151.9 100.53 2.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.312 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -159.33 144.49 15.75 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.102 . . . . 0.0 110.295 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 37.9 m-20 -71.55 60.19 0.33 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.462 ' CD ' ' HD2' ' A' ' 60' ' ' PRO . 0.0 OUTLIER -170.3 140.5 1.57 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 110.3 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.466 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 18.3 Cg_endo -74.95 161.34 39.06 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.488 1.783 . . . . 0.0 110.999 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.572 ' CG2' ' N ' ' A' ' 52' ' ' ASP . 1.1 t -79.05 -12.37 13.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 175.36 -140.54 5.28 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.512 1.132 . . . . 0.0 111.011 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 134.51 125.39 2.55 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.557 ' CE2' HD23 ' A' ' 48' ' ' LEU . 2.5 p90 -115.85 160.33 20.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 0.752 . . . . 0.0 111.005 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.8 p -75.49 156.83 34.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 109.969 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' A' ' 69' ' ' SER . 84.7 mt -114.57 -42.43 3.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.5 105.75 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 110.285 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 89.97 31.21 11.27 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.485 1.115 . . . . 0.0 111.029 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.414 ' N ' ' O ' ' A' ' 66' ' ' LEU . 58.7 m -116.26 -178.86 3.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 0.77 . . . . 0.0 110.016 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 95' ' ' ILE . 12.2 tp -147.34 157.02 43.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.557 ' CG1' ' HG3' ' A' ' 120' ' ' LYS . 2.4 p -138.0 145.21 29.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 23.7 m -148.34 163.51 36.86 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.492 1.12 . . . . 0.0 110.042 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -97.29 161.9 13.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.416 HD13 ' N ' ' A' ' 92' ' ' PHE . 9.4 mt -104.16 133.75 48.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -50.68 166.53 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.315 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -106.29 151.21 25.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.28 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 66.5 t30 65.84 95.9 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 133.49 171.3 12.62 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.508 1.13 . . . . 0.0 111.041 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.413 ' CG2' ' HD2' ' A' ' 80' ' ' PRO . 4.8 p -121.95 140.26 31.8 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.501 0.765 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.413 ' HD2' ' CG2' ' A' ' 79' ' ' VAL . 18.4 Cg_endo -74.98 177.32 8.74 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.539 1.81 . . . . 0.0 111.005 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.402 ' C ' ' O ' ' A' ' 80' ' ' PRO . 43.2 m -38.65 109.05 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 110.391 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 83' ' ' VAL . . . 56.43 -89.6 0.01 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.486 1.117 . . . . 0.0 110.978 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.438 ' C ' ' O ' ' A' ' 82' ' ' GLY . 24.4 t 37.63 87.22 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.511 0.771 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 83' ' ' VAL . 4.1 mmtt -39.66 132.21 1.67 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 98.72 -139.01 14.21 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.46 1.1 . . . . 0.0 111.033 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 10.6 p30 -179.25 70.52 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 0.76 . . . . 0.0 109.271 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.433 HG23 ' CZ2' ' A' ' 34' ' ' TRP . 14.9 m -74.58 163.09 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.455 ' N ' HD11 ' A' ' 91' ' ' LEU . 4.7 pt20 -175.7 36.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 110.296 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 90' ' ' ASN . . . -106.64 83.14 0.34 Allowed Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.528 1.143 . . . . 0.0 111.04 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.409 ' C ' ' O ' ' A' ' 89' ' ' GLY . 1.8 p30 39.55 65.8 0.65 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.432 0.725 . . . . 0.0 109.233 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.455 HD11 ' N ' ' A' ' 88' ' ' GLN . 1.3 mt -96.24 -179.73 4.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.496 ' CE2' HG23 ' A' ' 104' ' ' ILE . 15.2 p90 -170.76 158.83 6.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 0.0 110.986 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.03 165.22 16.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 78.9 t -129.54 105.36 12.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.577 HG12 ' CD2' ' A' ' 101' ' ' HIS . 80.1 mt -90.39 104.19 15.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 30.3 p -78.71 -174.72 4.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 110.407 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 1.5 ptmt -68.29 -8.76 42.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.342 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -100.29 5.17 44.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.428 ' C ' ' CD2' ' A' ' 101' ' ' HIS . 0.6 OUTLIER 47.15 40.74 10.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.328 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.508 HG22 ' CE2' ' A' ' 102' ' ' TYR . 2.7 m -75.31 -47.76 26.31 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.467 1.104 . . . . 0.0 110.389 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.577 ' CD2' HG12 ' A' ' 95' ' ' ILE . 4.3 m170 78.16 92.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.601 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.508 ' CE2' HG22 ' A' ' 100' ' ' THR . 51.3 m-85 -99.8 117.52 34.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 110.991 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -80.77 131.29 35.41 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 0.0 111.022 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.496 HG23 ' CE2' ' A' ' 92' ' ' PHE . 63.2 mt -141.14 161.51 22.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.445 ' HB3' ' CB ' ' A' ' 25' ' ' ALA . 40.4 tt0 -125.18 151.88 45.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.31 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.466 ' HA ' ' CD2' ' A' ' 24' ' ' LEU . . . -105.98 150.92 25.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.53 -51.24 63.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 110.038 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -125.57 159.29 32.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.979 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 33.6 tttt -45.04 -56.27 4.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.095 . . . . 0.0 109.268 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 111' ' ' GLU . . . -56.46 -52.76 63.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.41 ' HG3' ' CD1' ' A' ' 115' ' ' TRP . 0.2 OUTLIER -38.18 -42.22 0.66 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 0.0 110.347 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 17.4 ttp180 -53.96 -70.85 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.312 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.431 ' O ' ' N ' ' A' ' 117' ' ' GLU . . . -46.81 -42.78 17.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 109.339 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -55.63 -53.7 53.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 110.288 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' TRP . . . . . 0.527 ' CD2' ' HG2' ' A' ' 20' ' ' LYS . 81.4 m95 -63.77 -43.03 97.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 107.999 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.484 HG22 ' CD ' ' A' ' 120' ' ' LYS . 48.7 mt -60.28 -77.14 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.316 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 113' ' ' ALA . 2.1 tt0 -38.37 -38.45 0.37 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 0.0 110.298 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.466 ' HB1' ' CD1' ' A' ' 41' ' ' LEU . . . -57.87 -67.89 0.3 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.43 ' O ' ' C ' ' A' ' 120' ' ' LYS . 8.0 mt -40.37 -60.32 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.557 ' HG3' ' CG1' ' A' ' 71' ' ' VAL . 0.2 OUTLIER -38.67 -41.25 0.68 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 109.252 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 118' ' ' ALA . 12.1 mttt -59.37 -59.18 5.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.117 . . . . 0.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.486 HD11 ' CB ' ' A' ' 46' ' ' ALA . 0.5 OUTLIER -46.92 -59.08 3.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 71.8 p -52.55 -52.64 53.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 110.416 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 176.66 -66.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.994 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 70.38 109.65 0.04 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.487 1.117 . . . . 0.0 111.045 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 63.53 6.02 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.47 1.774 . . . . 0.0 110.964 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 6.5 t 176.26 144.37 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.976 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 34.9 t 50.95 91.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 110.024 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.474 1.109 . . . . 0.0 111.013 179.988 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.666 HG22 ' N ' ' A' ' 13' ' ' GLU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.666 ' N ' HG22 ' A' ' 12' ' ' VAL . 2.2 mm-40 -53.16 -40.59 64.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.329 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.732 HD11 ' CG ' ' A' ' 49' ' ' HIS . 1.0 OUTLIER -87.0 10.66 15.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.0 t -100.37 49.3 0.91 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 110.001 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -123.18 158.2 17.77 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.518 1.136 . . . . 0.0 110.985 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.4 m -68.66 119.07 12.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 0.756 . . . . 0.0 110.419 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.484 HG13 ' HG3' ' A' ' 21' ' ' GLN . 2.4 t -54.5 123.02 4.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.67 HG13 ' HE2' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -110.71 -26.57 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 109.311 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.534 ' HG2' ' CD2' ' A' ' 115' ' ' TRP . 2.3 tptt -159.84 142.08 13.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.744 ' NE2' HG23 ' A' ' 40' ' ' VAL . 9.9 mt-30 -146.7 149.76 34.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.327 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 160.42 -163.77 34.14 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.532 1.145 . . . . 0.0 110.996 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.444 ' CZ ' ' HD2' ' A' ' 38' ' ' ARG . 76.6 m-85 -118.75 130.09 55.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 0.779 . . . . 0.0 110.996 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.67 HD12 ' CG ' ' A' ' 39' ' ' PHE . 21.0 mt -123.08 170.54 10.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.365 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -120.89 107.34 12.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.563 1.164 . . . . 0.0 109.28 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 59.0 tttt -89.13 141.69 28.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.465 ' HB2' ' CE2' ' A' ' 34' ' ' TRP . 2.3 tt0 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.305 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.465 ' CE2' ' HB2' ' A' ' 27' ' ' GLN . 11.6 m0 . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.93 136.17 52.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.268 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.5 t -79.83 130.37 36.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.347 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.409 ' CD ' HG21 ' A' ' 61' ' ' VAL . 0.4 OUTLIER -136.58 144.91 44.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.298 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.444 ' HD2' ' CZ ' ' A' ' 23' ' ' TYR . 5.1 ttt180 -79.34 108.33 12.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.309 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.67 ' CG ' HD12 ' A' ' 24' ' ' LEU . 12.5 m-85 -97.69 142.11 29.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.85 ' O ' HD12 ' A' ' 48' ' ' LEU . 7.6 p -126.13 138.14 55.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.87 ' HG ' HD13 ' A' ' 48' ' ' LEU . 0.4 OUTLIER -114.74 132.6 56.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.324 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 49.5 mtt-85 -130.69 167.86 18.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 110.306 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.67 ' HE2' HG13 ' A' ' 19' ' ' VAL . 4.3 pttt -145.09 140.33 27.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.51 ' N ' ' C ' ' A' ' 45' ' ' PRO . 25.7 t70 49.2 76.59 0.53 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.51 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.3 Cg_endo -74.99 166.41 83.34 Favored 'Cis proline' 0 C--N 1.36 1.17 0 C-N-CA 121.008 -2.497 . . . . 0.0 110.978 0.011 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.856 ' HB1' ' HB3' ' A' ' 122' ' ' LEU . . . -97.85 103.74 15.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.596 ' CZ ' ' OE2' ' A' ' 13' ' ' GLU . 9.8 m-85 -148.05 160.68 42.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.094 . . . . 0.0 111.053 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.87 HD13 ' HG ' ' A' ' 41' ' ' LEU . 10.9 tp -135.7 114.08 11.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.732 ' CG ' HD11 ' A' ' 14' ' ' LEU . 40.5 m-70 -118.2 161.7 19.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 0.0 109.614 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.418 ' HA ' ' O ' ' A' ' 38' ' ' ARG . 32.8 p90 -143.68 141.09 30.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 111.031 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.694 ' HA ' HG23 ' A' ' 61' ' ' VAL . 7.2 m-85 -117.4 147.14 42.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.962 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.446 ' N ' ' CG2' ' A' ' 61' ' ' VAL . 4.5 t0 -82.36 123.88 78.65 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.147 . . . . 0.0 109.3 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.221 0 O-C-N 124.451 1.764 . . . . 0.0 110.952 -179.986 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.8 mtt85 . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.589 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 18.2 Cg_endo -75.0 162.58 36.89 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.517 1.799 . . . . 0.0 111.003 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.694 HG23 ' HA ' ' A' ' 51' ' ' TYR . 1.8 t -76.86 -29.86 17.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -158.18 -136.59 2.1 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.528 1.142 . . . . 0.0 111.001 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 131.45 123.55 2.49 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.019 -0.833 . . . . 0.0 111.019 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.537 ' CZ ' HD23 ' A' ' 48' ' ' LEU . 15.0 p90 -120.14 153.22 36.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 0.769 . . . . 0.0 111.002 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.5 m -60.35 148.67 36.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.023 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.655 ' O ' HG22 ' A' ' 123' ' ' THR . 93.6 mt -104.64 -44.88 4.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.2 OUTLIER -37.69 -64.75 0.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 110.316 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -91.58 54.59 3.08 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.443 1.089 . . . . 0.0 110.973 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.407 ' OG ' HG22 ' A' ' 96' ' ' THR . 10.5 m -140.67 -178.0 5.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 0.767 . . . . 0.0 109.984 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.845 HD13 ' N ' ' A' ' 71' ' ' VAL . 1.4 tm? -149.85 165.14 33.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.16 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.845 ' N ' HD13 ' A' ' 70' ' ' LEU . 7.3 p -149.47 142.55 17.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.6 m -155.01 166.79 32.49 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.511 1.132 . . . . 0.0 110.007 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -99.15 160.72 14.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.305 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.938 HD12 ' HB2' ' A' ' 91' ' ' LEU . 3.8 mt . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.33 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.938 ' HB2' HD12 ' A' ' 74' ' ' LEU . 1.2 mp . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.583 ' HB3' HD11 ' A' ' 116' ' ' ILE . 8.8 p90 -157.22 149.97 23.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 110.974 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.02 162.5 17.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.725 HG13 ' O ' ' A' ' 70' ' ' LEU . 67.1 t -128.26 108.36 17.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.913 HG23 ' CE1' ' A' ' 101' ' ' HIS . 40.5 mt -88.13 108.16 18.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.407 HG22 ' OG ' ' A' ' 69' ' ' SER . 2.0 p -82.58 -176.27 6.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 110.404 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.85 -21.07 66.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -93.46 17.17 11.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.442 1.089 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 40.66 44.3 1.79 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 8.5 m -77.51 -51.32 10.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.383 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.913 ' CE1' HG23 ' A' ' 95' ' ' ILE . 0.4 OUTLIER 76.62 91.06 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.607 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 46.7 m-85 -95.07 117.68 30.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 111.004 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -86.53 126.33 34.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.998 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.57 ' HB ' ' CZ ' ' A' ' 92' ' ' PHE . 22.8 mt -134.88 166.56 28.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.153 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.63 ' HB2' HD23 ' A' ' 91' ' ' LEU . 4.6 tp60 -127.7 151.87 48.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.274 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.668 ' HB1' ' HB3' ' A' ' 111' ' ' GLU . . . -107.53 153.99 22.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.87 -46.04 74.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.967 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.92 162.88 29.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.005 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 4.3 tttt -50.84 -41.41 57.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.271 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -69.48 -52.47 26.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.356 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.668 ' HB3' ' HB1' ' A' ' 106' ' ' ALA . 0.2 OUTLIER -39.62 -39.72 0.78 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.274 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.45 ' HA ' ' HB2' ' A' ' 106' ' ' ALA . 2.7 ttt-85 -60.04 -72.08 0.12 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.504 1.127 . . . . 0.0 110.288 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.421 ' N ' ' HG2' ' A' ' 112' ' ' ARG . . . -39.78 -38.02 0.61 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -68.18 -53.47 24.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.312 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' TRP . . . . . 0.534 ' CD2' ' HG2' ' A' ' 20' ' ' LYS . 55.0 m95 -59.26 -29.81 67.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 108.009 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.583 HD11 ' HB3' ' A' ' 92' ' ' PHE . 53.8 mt -71.95 -77.12 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.332 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 116' ' ' ILE . 2.5 tt0 -37.34 -40.77 0.37 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.089 . . . . 0.0 110.297 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -55.56 -65.32 0.61 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.511 HG23 HD22 ' A' ' 66' ' ' LEU . 81.7 mt -44.95 -56.56 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.512 ' CG ' ' CG1' ' A' ' 71' ' ' VAL . 19.2 mttt -41.51 -52.8 3.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 11.9 mttt -41.09 -60.2 1.28 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.856 ' HB3' ' HB1' ' A' ' 46' ' ' ALA . 0.3 OUTLIER -52.66 -52.07 57.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 123' ' ' THR . . . . . 0.655 HG22 ' O ' ' A' ' 66' ' ' LEU . 15.7 p . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 110.354 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.779 HG13 ' H ' ' A' ' 13' ' ' GLU . 1.9 p . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.779 ' H ' HG13 ' A' ' 12' ' ' VAL . 70.7 mt-10 -59.05 -45.28 91.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.339 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.553 HD23 ' CD2' ' A' ' 49' ' ' HIS . 1.1 mt -84.95 1.03 49.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.416 ' HB2' ' CA ' ' A' ' 12' ' ' VAL . 0.5 OUTLIER -93.13 52.61 1.82 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.029 179.945 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.428 ' O ' ' NH1' ' A' ' 42' ' ' ARG . . . -127.01 159.36 21.17 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.524 1.14 . . . . 0.0 111.029 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.3 m -72.86 123.25 23.02 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.458 0.74 . . . . 0.0 110.366 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.434 HG13 ' HG3' ' A' ' 21' ' ' GLN . 2.2 t -56.48 124.54 10.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -111.72 -29.7 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.54 ' HG2' ' CD2' ' A' ' 115' ' ' TRP . 3.2 tttt -154.47 143.22 20.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.849 ' NE2' HG23 ' A' ' 40' ' ' VAL . 12.1 mt-30 -146.85 147.92 31.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.29 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 163.04 -173.95 39.3 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.479 1.112 . . . . 0.0 111.031 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.56 ' CE1' ' HB2' ' A' ' 38' ' ' ARG . 83.4 m-85 -112.44 121.84 45.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 0.768 . . . . 0.0 110.979 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.567 ' HB2' ' CD1' ' A' ' 39' ' ' PHE . 17.5 mt -114.88 172.04 7.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.611 ' HB3' ' HB3' ' A' ' 105' ' ' GLN . . . -120.39 112.26 18.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.1 tttt -81.02 142.92 32.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.52 ' HA ' ' CE2' ' A' ' 34' ' ' TRP . 6.8 tt0 . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.557 1.161 . . . . 0.0 110.317 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.52 ' CE2' ' HA ' ' A' ' 27' ' ' GLN . 15.9 m95 . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 10.4 tppt? -98.89 148.57 23.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.2 t -88.57 135.13 26.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -138.43 144.71 40.27 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.135 . . . . 0.0 110.289 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.56 ' HB2' ' CE1' ' A' ' 23' ' ' TYR . 0.9 OUTLIER -78.71 105.08 9.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.312 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.567 ' CD1' ' HB2' ' A' ' 24' ' ' LEU . 16.4 m-85 -96.94 136.45 37.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 110.982 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.907 ' O ' HD12 ' A' ' 48' ' ' LEU . 11.2 p -120.17 141.95 38.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.826 ' HG ' HD13 ' A' ' 48' ' ' LEU . 0.6 OUTLIER -117.09 128.2 54.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.253 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.451 ' NH1' ' O ' ' A' ' 14' ' ' LEU . 41.5 mtt-85 -128.34 168.09 16.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 110.333 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 45' ' ' PRO . 0.5 OUTLIER -142.97 147.73 35.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 109.327 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.478 ' N ' ' C ' ' A' ' 45' ' ' PRO . 13.8 t0 48.02 78.31 0.41 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.481 ' CG ' ' O ' ' A' ' 12' ' ' VAL . 18.2 Cg_endo -75.0 172.04 65.04 Favored 'Cis proline' 0 C--N 1.36 1.158 0 C-N-CA 121.014 -2.494 . . . . 0.0 111.011 -0.012 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.814 ' HB1' ' HB3' ' A' ' 122' ' ' LEU . . . -95.31 100.79 12.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.553 ' CE2' ' HB3' ' A' ' 65' ' ' SER . 24.6 m-85 -145.6 166.01 27.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.947 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.931 HD23 ' CZ ' ' A' ' 64' ' ' PHE . 5.0 tp -142.94 113.71 7.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.354 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.553 ' CD2' HD23 ' A' ' 14' ' ' LEU . 45.5 m-70 -116.41 165.79 12.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.613 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.484 ' CE1' ' HB ' ' A' ' 61' ' ' VAL . 49.1 p90 -151.36 143.37 23.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.939 ' HA ' HG23 ' A' ' 61' ' ' VAL . 16.6 m-85 -119.3 157.66 27.65 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.478 1.111 . . . . 0.0 111.031 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -88.61 123.48 67.88 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.14 0 O-C-N 124.511 1.795 . . . . 0.0 111.016 179.969 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.6 ttp180 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.609 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 18.2 Cg_endo -75.03 160.99 39.41 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.45 1.763 . . . . 0.0 111.002 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.939 HG23 ' HA ' ' A' ' 51' ' ' TYR . 3.8 t -77.28 -30.39 17.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.424 ' HA3' ' CZ ' ' A' ' 50' ' ' TYR . . . -158.66 -129.24 1.06 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.475 1.11 . . . . 0.0 111.031 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 114.2 125.42 4.15 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.931 ' CZ ' HD23 ' A' ' 48' ' ' LEU . 13.1 p90 -119.39 153.48 35.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.453 0.737 . . . . 0.0 110.991 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.553 ' HB3' ' CE2' ' A' ' 47' ' ' PHE . 7.0 p -74.37 117.27 15.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.012 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.506 HD13 HD23 ' A' ' 122' ' ' LEU . 87.7 mt -66.09 -44.48 84.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 66' ' ' LEU . 14.1 mmt-85 -37.55 110.88 0.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.307 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 78.38 49.54 6.7 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.504 1.128 . . . . 0.0 110.995 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 47.2 m -132.63 -174.68 3.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.566 0.803 . . . . 0.0 109.995 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.466 ' N ' ' O ' ' A' ' 95' ' ' ILE . 17.3 tp -154.88 156.1 35.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.499 HG12 ' HG2' ' A' ' 120' ' ' LYS . 4.4 p -141.11 153.1 20.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.2 m -160.63 161.86 32.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.1 . . . . 0.0 109.99 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -105.54 146.81 29.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.304 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.577 HD12 ' HB2' ' A' ' 91' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.093 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.731 HD23 ' HB2' ' A' ' 105' ' ' GLN . 2.1 mp . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.589 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 4.3 p90 -164.38 152.27 12.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.993 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.49 ' HE2' HD11 ' A' ' 95' ' ' ILE . 1.2 ptmt -119.17 168.15 11.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.272 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.58 HG11 ' CE2' ' A' ' 64' ' ' PHE . 56.1 t -132.99 100.56 3.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.598 HG23 ' CD2' ' A' ' 101' ' ' HIS . 60.4 mt -84.85 105.43 13.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 73.4 p -82.24 -170.06 2.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.123 . . . . 0.0 110.39 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.16 -14.68 62.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 109.351 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -100.13 12.54 36.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.267 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.577 ' C ' ' CD2' ' A' ' 101' ' ' HIS . 0.5 OUTLIER 46.93 35.69 3.47 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.415 ' O ' ' CB ' ' A' ' 101' ' ' HIS . 55.1 m -65.85 -60.56 2.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 110.428 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.598 ' CD2' HG23 ' A' ' 95' ' ' ILE . 2.7 m170 81.61 93.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.59 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -99.14 101.59 12.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 111.021 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -74.28 126.86 31.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.575 1.172 . . . . 0.0 110.995 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.589 ' HB ' ' CZ ' ' A' ' 92' ' ' PHE . 37.0 mt -136.79 168.3 22.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.316 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.731 ' HB2' HD23 ' A' ' 91' ' ' LEU . 6.2 tp60 -121.73 149.42 43.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 110.283 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.721 ' HB1' ' HB3' ' A' ' 111' ' ' GLU . . . -106.96 169.02 8.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.352 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.87 -33.58 34.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 110.041 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.425 ' O ' ' N ' ' A' ' 111' ' ' GLU . 0.1 OUTLIER -148.21 149.74 32.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.999 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 108' ' ' SER . 0.0 OUTLIER -40.03 -44.31 1.72 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.68 -48.86 73.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.264 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.721 ' HB3' ' HB1' ' A' ' 106' ' ' ALA . 1.0 OUTLIER -42.33 -41.17 2.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.15 . . . . 0.0 110.276 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.629 ' NE ' ' HB3' ' A' ' 106' ' ' ALA . 0.7 OUTLIER -56.83 -74.27 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.095 . . . . 0.0 110.264 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.529 ' O ' ' N ' ' A' ' 117' ' ' GLU . . . -34.23 -53.63 0.49 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.582 ' O ' ' HB2' ' A' ' 118' ' ' ALA . 46.6 mm-40 -53.29 -52.15 60.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.299 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' TRP . . . . . 0.54 ' CD2' ' HG2' ' A' ' 20' ' ' LYS . 63.4 m95 -65.19 -44.69 87.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 108.034 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.402 ' O ' ' C ' ' A' ' 117' ' ' GLU . 62.1 mt -61.86 -77.84 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.335 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.529 ' N ' ' O ' ' A' ' 113' ' ' ALA . 2.7 tt0 -37.19 -46.57 0.72 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 0.0 110.293 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.582 ' HB2' ' O ' ' A' ' 114' ' ' GLU . . . -48.73 -58.29 5.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.472 ' HB ' HG11 ' A' ' 71' ' ' VAL . 24.0 mt -53.74 -54.06 22.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.499 ' HG2' HG12 ' A' ' 71' ' ' VAL . 19.2 mttt -44.82 -41.77 7.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 16.3 mttt -55.86 -61.74 2.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 109.288 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.814 ' HB3' ' HB1' ' A' ' 46' ' ' ALA . 0.3 OUTLIER -45.92 -52.95 10.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.276 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 67.1 p . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 110.387 -179.994 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.734 HG13 ' H ' ' A' ' 13' ' ' GLU . 2.4 p . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.734 ' H ' HG13 ' A' ' 12' ' ' VAL . 47.6 mt-10 -58.0 -47.63 82.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 110.244 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.619 HD23 ' CD2' ' A' ' 49' ' ' HIS . 0.5 OUTLIER -85.81 9.28 17.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.27 -179.934 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.82 56.81 0.82 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.971 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -129.28 155.97 21.04 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.517 1.136 . . . . 0.0 110.953 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.0 m -67.56 113.74 5.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 0.777 . . . . 0.0 110.402 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.534 HG13 ' HG3' ' A' ' 21' ' ' GLN . 2.3 t -50.66 119.69 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.466 ' CG1' ' HE2' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -109.65 -27.6 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.113 . . . . 0.0 109.321 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.524 ' HG2' ' CD2' ' A' ' 115' ' ' TRP . 11.3 tptt -153.6 145.85 23.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.534 ' HG3' HG13 ' A' ' 18' ' ' VAL . 28.3 mt-30 -152.92 158.84 42.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.281 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 148.39 -163.54 28.97 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.515 1.135 . . . . 0.0 110.996 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.509 ' CZ ' ' HD3' ' A' ' 38' ' ' ARG . 86.9 m-85 -116.38 134.3 55.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 0.76 . . . . 0.0 110.967 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.591 HD21 ' NE1' ' A' ' 115' ' ' TRP . 23.2 mt -128.09 167.94 16.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.311 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.483 ' HB3' ' HB3' ' A' ' 105' ' ' GLN . . . -118.87 99.57 6.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 20.7 tttt -89.07 140.73 29.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 109.293 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.447 ' HB2' ' CE2' ' A' ' 34' ' ' TRP . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.309 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.447 ' CE2' ' HB2' ' A' ' 27' ' ' GLN . 19.2 m95 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -130.13 131.26 45.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.9 t -68.25 138.09 23.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.6 mtm-85 -148.32 140.59 24.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 110.315 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.509 ' HD3' ' CZ ' ' A' ' 23' ' ' TYR . 2.4 ttp85 -77.25 106.61 9.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 0.0 110.286 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.568 ' CD2' ' HB3' ' A' ' 50' ' ' TYR . 13.5 m-85 -96.99 149.53 21.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 110.987 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.768 ' O ' HD12 ' A' ' 48' ' ' LEU . 14.6 p -133.79 137.16 53.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.265 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.833 ' HG ' HD13 ' A' ' 48' ' ' LEU . 0.5 OUTLIER -113.41 138.2 50.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.451 ' NH1' ' CG2' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -141.76 155.6 45.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 110.343 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.466 ' HE2' ' CG1' ' A' ' 19' ' ' VAL . 0.5 OUTLIER -129.68 144.66 51.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.282 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.512 ' N ' ' C ' ' A' ' 45' ' ' PRO . 7.7 t70 53.8 76.41 0.53 Allowed Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.498 1.124 . . . . 0.0 109.334 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.512 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.3 Cg_endo -74.98 171.9 65.73 Favored 'Cis proline' 0 C--N 1.359 1.128 0 C-N-CA 120.987 -2.505 . . . . 0.0 111.024 -0.033 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.466 ' CB ' HD12 ' A' ' 122' ' ' LEU . . . -97.6 92.67 6.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.252 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.419 ' CE2' ' HB3' ' A' ' 65' ' ' SER . 10.5 m-85 -133.5 177.99 7.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.133 . . . . 0.0 110.976 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.833 HD13 ' HG ' ' A' ' 41' ' ' LEU . 12.6 tp -153.71 113.96 3.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.258 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.619 ' CD2' HD23 ' A' ' 14' ' ' LEU . 49.6 m-70 -117.62 167.55 11.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.606 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.568 ' HB3' ' CD2' ' A' ' 39' ' ' PHE . 41.6 p90 -156.28 144.01 19.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.989 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.923 ' HA ' HG23 ' A' ' 61' ' ' VAL . 5.6 m-85 -121.93 154.85 36.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.975 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.421 ' HB2' HG21 ' A' ' 61' ' ' VAL . 6.5 t70 -89.89 127.19 54.88 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.418 1.074 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.171 0 O-C-N 124.491 1.785 . . . . 0.0 111.048 179.975 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.325 -0.25 . . . . 0.0 110.325 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.572 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 18.2 Cg_endo -75.05 160.6 39.8 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.49 1.784 . . . . 0.0 111.001 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.923 HG23 ' HA ' ' A' ' 51' ' ' TYR . 4.4 t -77.55 -31.37 17.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.406 ' HA3' ' CZ ' ' A' ' 50' ' ' TYR . . . -157.8 -126.94 0.92 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.512 1.132 . . . . 0.0 110.979 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 111.93 121.71 4.04 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.014 -0.835 . . . . 0.0 111.014 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.8 ' CZ ' HD23 ' A' ' 48' ' ' LEU . 8.2 p90 -118.82 150.65 39.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 0.771 . . . . 0.0 111.001 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.419 ' HB3' ' CE2' ' A' ' 47' ' ' PHE . 11.4 p -74.56 126.91 31.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.105 . . . . 0.0 109.982 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.465 HD12 ' HG ' ' A' ' 122' ' ' LEU . 21.7 mt -73.73 -32.54 63.92 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.145 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 53.9 mmt-85 -46.45 96.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 110.283 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 66' ' ' LEU . . . 96.04 32.31 6.85 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.433 1.083 . . . . 0.0 110.991 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 66' ' ' LEU . 97.7 p -114.45 -176.23 2.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 0.74 . . . . 0.0 110.018 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.933 HD13 ' N ' ' A' ' 71' ' ' VAL . 3.4 tm? -153.48 153.4 32.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.933 ' N ' HD13 ' A' ' 70' ' ' LEU . 5.9 p -136.4 139.81 44.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.243 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 33.8 m -153.47 155.12 35.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 109.964 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -93.44 152.03 19.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.708 HD12 ' HB2' ' A' ' 91' ' ' LEU . 1.5 mt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.344 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.8 HD23 ' HB2' ' A' ' 105' ' ' GLN . 1.3 mp . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.554 ' CD1' ' HD3' ' A' ' 112' ' ' ARG . 13.1 p90 -161.72 171.55 17.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.985 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.489 ' NZ ' HD11 ' A' ' 95' ' ' ILE . 0.0 OUTLIER -137.31 164.01 29.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.407 ' HA ' ' O ' ' A' ' 70' ' ' LEU . 72.6 t -122.86 111.93 31.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.503 HG23 ' CE1' ' A' ' 101' ' ' HIS . 77.5 mt -90.82 106.64 17.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 47.3 p -80.96 -179.06 7.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.434 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.08 -12.27 48.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -100.97 13.61 34.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 43.87 42.33 4.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.282 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 15.9 m -73.62 -51.09 17.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.427 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.503 ' CE1' HG23 ' A' ' 95' ' ' ILE . 0.5 OUTLIER 77.44 84.79 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.61 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -91.8 108.46 19.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.949 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -75.35 131.34 40.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 111.026 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.489 ' HB ' ' CZ ' ' A' ' 92' ' ' PHE . 60.7 mt -135.47 164.46 32.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.8 ' HB2' HD23 ' A' ' 91' ' ' LEU . 38.9 tt0 -134.61 146.37 49.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.315 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.608 ' HB2' ' HA ' ' A' ' 112' ' ' ARG . . . -103.21 170.23 8.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.253 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -85.21 -45.69 11.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 110.028 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.7 m -121.35 147.98 44.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 109.962 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.65 -53.87 2.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.256 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -60.23 -49.74 76.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.547 ' HB3' ' HB1' ' A' ' 106' ' ' ALA . 0.5 OUTLIER -43.49 -39.73 3.5 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.451 1.094 . . . . 0.0 110.318 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.64 HH11 ' N ' ' A' ' 113' ' ' ALA . 0.0 OUTLIER -62.52 -70.22 0.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 110.282 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.64 ' N ' HH11 ' A' ' 112' ' ' ARG . . . -44.7 -38.6 4.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -54.32 -68.29 0.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 110.325 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' TRP . . . . . 0.591 ' NE1' HD21 ' A' ' 24' ' ' LEU . 79.2 m95 -46.23 -45.05 16.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 108.029 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.462 HD11 ' CD ' ' A' ' 112' ' ' ARG . 37.2 mt -52.56 -76.63 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.344 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -42.01 -41.93 2.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.308 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.407 ' HB3' ' O ' ' A' ' 115' ' ' TRP . . . -54.98 -65.18 0.63 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.425 HG23 HD22 ' A' ' 66' ' ' LEU . 87.6 mt -44.61 -56.07 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.479 ' HG2' ' CG1' ' A' ' 71' ' ' VAL . 21.6 mttt -40.93 -54.77 2.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 17.6 mttt -41.07 -60.01 1.33 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.466 HD12 ' CB ' ' A' ' 46' ' ' ALA . 0.8 OUTLIER -49.39 -55.52 12.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.265 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 123' ' ' THR . . . . . 0.459 HG22 ' HG ' ' A' ' 69' ' ' SER . 69.0 p . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.429 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.775 HG13 ' H ' ' A' ' 13' ' ' GLU . 1.7 p . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.775 ' H ' HG13 ' A' ' 12' ' ' VAL . 72.4 mt-10 -64.7 -34.71 78.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.285 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.608 HD12 ' N ' ' A' ' 14' ' ' LEU . 2.4 mp -81.63 -9.73 59.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 109.313 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.36 61.84 5.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.148 . . . . 0.0 110.002 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -132.98 157.54 22.69 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.525 1.141 . . . . 0.0 111.037 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.4 m -67.72 119.49 12.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 0.771 . . . . 0.0 110.403 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.459 HG13 ' HG3' ' A' ' 21' ' ' GLN . 2.2 t -59.38 124.28 13.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 0.0 109.335 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.507 HG13 ' HG2' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -112.41 -32.01 2.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 0.0 109.297 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.517 ' HG2' ' CD2' ' A' ' 115' ' ' TRP . 5.0 tptt -151.09 141.19 22.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.331 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.682 ' NE2' HG23 ' A' ' 40' ' ' VAL . 7.1 mt-30 -145.58 153.72 41.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.117 . . . . 0.0 110.278 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 156.43 -163.93 32.27 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.541 1.151 . . . . 0.0 111.025 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.449 ' CE1' ' HB2' ' A' ' 38' ' ' ARG . 82.2 m-85 -118.76 126.15 51.21 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.548 0.793 . . . . 0.0 111.01 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.613 HD12 ' CG ' ' A' ' 39' ' ' PHE . 25.1 mt -117.64 169.24 9.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.763 ' HB3' ' HB3' ' A' ' 105' ' ' GLN . . . -117.22 106.51 13.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 25.8 tttm -87.9 108.78 19.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.142 . . . . 0.0 109.302 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.48 ' HG3' ' CE2' ' A' ' 34' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.436 1.085 . . . . 0.0 110.3 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.48 ' CE2' ' HG3' ' A' ' 27' ' ' GLN . 82.1 m95 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.13 122.45 42.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.152 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.6 t -73.18 142.57 14.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.447 ' HD2' HG21 ' A' ' 61' ' ' VAL . 1.5 tpp180 -152.05 152.29 32.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.58 1.175 . . . . 0.0 110.315 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.47 ' O ' ' HA ' ' A' ' 50' ' ' TYR . 0.5 OUTLIER -83.18 103.3 12.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 110.285 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.613 ' CG ' HD12 ' A' ' 24' ' ' LEU . 11.2 m-85 -96.46 138.06 34.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.449 1.093 . . . . 0.0 111.005 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.917 HG12 ' O ' ' A' ' 49' ' ' HIS . 14.6 p -122.64 136.45 59.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.66 ' HG ' HD13 ' A' ' 48' ' ' LEU . 0.5 OUTLIER -109.58 119.32 39.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 109.326 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.417 ' NH1' ' HB3' ' A' ' 14' ' ' LEU . 46.5 mtt180 -119.95 155.57 32.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.117 . . . . 0.0 110.294 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.523 ' CB ' HD11 ' A' ' 122' ' ' LEU . 0.4 OUTLIER -136.29 144.71 44.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.483 ' N ' ' C ' ' A' ' 45' ' ' PRO . 0.2 OUTLIER 47.92 78.05 0.42 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.262 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.483 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.3 Cg_endo -75.01 171.84 66.06 Favored 'Cis proline' 0 C--N 1.36 1.146 0 C-N-CA 120.997 -2.501 . . . . 0.0 111.012 0.001 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.63 ' HB2' HD12 ' A' ' 122' ' ' LEU . . . -98.15 105.48 17.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 109.258 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.518 ' CG ' ' HB3' ' A' ' 13' ' ' GLU . 21.0 m-85 -153.29 148.59 26.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 110.974 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.77 HD12 ' O ' ' A' ' 40' ' ' VAL . 9.4 tp -123.61 113.82 19.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 109.337 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.917 ' O ' HG12 ' A' ' 40' ' ' VAL . 65.2 m-70 -121.99 153.23 38.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 109.627 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.47 ' HA ' ' O ' ' A' ' 38' ' ' ARG . 22.7 p90 -139.04 149.22 44.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.568 1.167 . . . . 0.0 110.97 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.826 ' HA ' HG23 ' A' ' 61' ' ' VAL . 23.7 m-85 -124.17 155.12 39.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 110.973 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.404 ' N ' ' CG2' ' A' ' 61' ' ' VAL . 21.4 t0 -80.4 126.68 78.23 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.286 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.152 0 O-C-N 124.514 1.797 . . . . 0.0 110.976 -179.971 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.494 ' CD ' ' HD2' ' A' ' 60' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.547 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 18.4 Cg_endo -74.98 157.22 42.97 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.501 1.79 . . . . 0.0 111.046 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.826 HG23 ' HA ' ' A' ' 51' ' ' TYR . 2.3 t -67.71 -26.08 34.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -166.5 -111.77 0.25 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.454 1.096 . . . . 0.0 111.017 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 100.3 131.81 7.51 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.825 ' CE2' HG11 ' A' ' 94' ' ' VAL . 30.9 p90 -127.96 156.44 42.66 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 0.79 . . . . 0.0 110.992 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 20.8 p -63.08 165.57 6.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.548 1.155 . . . . 0.0 109.999 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.806 ' O ' HG22 ' A' ' 123' ' ' THR . 54.3 mt -119.89 -39.45 2.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 109.263 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.453 ' NH1' ' O ' ' A' ' 122' ' ' LEU . 0.0 OUTLIER -42.04 -59.04 1.88 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 110.259 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -98.28 54.94 1.12 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 19.6 m -145.05 -176.74 5.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 0.736 . . . . 0.0 110.024 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.607 HD22 HD12 ' A' ' 95' ' ' ILE . 1.8 tt -153.21 158.3 41.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.615 HG13 ' HD2' ' A' ' 120' ' ' LYS . 7.6 p -133.14 153.1 36.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 74.0 m -162.08 155.59 20.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.977 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -92.55 158.8 15.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.816 HD12 ' HB2' ' A' ' 91' ' ' LEU . 6.7 mt . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.27 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.816 ' HB2' HD12 ' A' ' 74' ' ' LEU . 1.1 mp . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.608 ' HB3' HD11 ' A' ' 116' ' ' ILE . 8.9 p90 -161.62 154.97 21.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 110.964 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.679 ' NZ ' HD11 ' A' ' 95' ' ' ILE . 0.0 OUTLIER -123.13 164.91 17.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.327 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.825 HG11 ' CE2' ' A' ' 64' ' ' PHE . 58.1 t -129.31 117.03 42.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.679 HD11 ' NZ ' ' A' ' 93' ' ' LYS . 11.2 mt -95.61 108.84 21.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 18.8 p -83.46 179.03 7.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.417 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.93 -19.44 51.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.38 10.49 17.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 33.4 t70 55.9 31.66 18.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.11 . . . . 0.0 109.304 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 60.1 m -97.03 120.28 37.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.4 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.577 ' CD2' ' HE2' ' A' ' 93' ' ' LYS . 1.5 m-70 -86.95 109.38 19.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 109.658 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.401 ' O ' ' HA ' ' A' ' 93' ' ' LYS . 48.8 m-85 -98.11 102.92 14.8 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 1.132 . . . . 0.0 111.013 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -73.82 123.36 24.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 111.04 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.53 ' HB ' ' CZ ' ' A' ' 92' ' ' PHE . 47.6 mt -133.86 146.59 31.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.763 ' HB3' ' HB3' ' A' ' 25' ' ' ALA . 47.7 tt0 -105.9 146.71 29.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.288 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.509 ' HB1' ' HB3' ' A' ' 111' ' ' GLU . . . -102.75 155.71 18.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 14.7 t -53.11 -50.85 63.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 109.99 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -134.46 -178.84 5.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.998 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.21 -31.69 72.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -77.7 -50.42 12.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.509 ' HB3' ' HB1' ' A' ' 106' ' ' ALA . 0.6 OUTLIER -45.18 -37.98 4.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 110.29 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.443 ' HG2' HD12 ' A' ' 116' ' ' ILE . 3.1 ttp180 -58.67 -68.48 0.26 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 110.321 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -45.28 -42.24 9.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -64.19 -53.14 54.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 110.299 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' TRP . . . . . 0.517 ' CD2' ' HG2' ' A' ' 20' ' ' LYS . 55.7 m95 -58.6 -32.18 68.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 108.027 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.608 HD11 ' HB3' ' A' ' 92' ' ' PHE . 75.5 mt -74.64 -75.85 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 116' ' ' ILE . 2.3 tt0 -34.76 -43.69 0.19 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 110.318 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.467 ' HB1' HD13 ' A' ' 41' ' ' LEU . . . -54.72 -63.75 1.05 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.332 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.547 HG21 ' HB ' ' A' ' 71' ' ' VAL . 38.8 mt -43.75 -59.84 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.615 ' HD2' HG13 ' A' ' 71' ' ' VAL . 0.0 OUTLIER -38.87 -49.12 1.63 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.327 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -49.31 -60.87 2.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 109.311 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.63 HD12 ' HB2' ' A' ' 46' ' ' ALA . 1.1 mm? -50.08 -56.68 9.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.284 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 123' ' ' THR . . . . . 0.806 HG22 ' O ' ' A' ' 66' ' ' LEU . 23.0 p . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 110.377 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.764 HG13 ' H ' ' A' ' 13' ' ' GLU . 1.1 p . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.764 ' H ' HG13 ' A' ' 12' ' ' VAL . 41.0 mt-10 -61.77 -42.48 99.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.338 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.688 HD21 ' CG ' ' A' ' 49' ' ' HIS . 5.7 mt -80.91 -6.75 59.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.15 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 13.7 p -88.53 48.36 1.62 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 110.012 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -121.04 155.81 16.25 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.507 1.129 . . . . 0.0 110.997 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.406 ' O ' ' HA ' ' A' ' 42' ' ' ARG . 5.8 m -70.16 128.21 35.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 0.737 . . . . 0.0 110.383 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.482 HG13 ' HG3' ' A' ' 21' ' ' GLN . 2.1 t -62.5 121.46 11.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.402 ' CG1' ' HE2' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -111.97 -31.71 2.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.534 ' HG2' ' CD2' ' A' ' 115' ' ' TRP . 2.5 tptt -149.51 141.17 23.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.842 ' NE2' HG23 ' A' ' 40' ' ' VAL . 6.4 mt-30 -146.99 151.36 36.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.288 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 156.57 -177.84 33.33 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.502 1.127 . . . . 0.0 111.016 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.472 ' CZ ' ' HD3' ' A' ' 38' ' ' ARG . 42.5 m-85 -106.86 134.46 49.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.564 0.803 . . . . 0.0 111.025 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.652 HD22 ' O ' ' A' ' 105' ' ' GLN . 15.4 mt -127.49 172.48 10.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.335 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.471 ' HB3' ' HB3' ' A' ' 105' ' ' GLN . . . -115.27 102.03 9.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 53.1 tttt -90.29 104.38 16.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.107 . . . . 0.0 109.314 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.413 ' HB2' ' CE2' ' A' ' 34' ' ' TRP . 4.2 tt0 . . . . . 0 C--N 1.324 -0.52 0 O-C-N 124.519 1.137 . . . . 0.0 110.269 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.413 ' CE2' ' HB2' ' A' ' 27' ' ' GLN . 39.3 m95 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.16 135.37 39.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.1 t -65.09 141.18 18.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 109.276 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.45 ' HB2' ' NH1' ' A' ' 37' ' ' ARG . 0.0 OUTLIER -147.69 134.57 20.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 110.274 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.472 ' HD3' ' CZ ' ' A' ' 23' ' ' TYR . 0.2 OUTLIER -75.33 103.86 5.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 110.302 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.497 ' CG ' HD12 ' A' ' 24' ' ' LEU . 12.6 m-85 -97.26 134.45 40.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 110.989 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 1.02 ' O ' HD12 ' A' ' 48' ' ' LEU . 12.0 p -118.76 141.04 40.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.34 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.82 ' HG ' HD13 ' A' ' 48' ' ' LEU . 0.4 OUTLIER -115.97 133.83 55.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.406 ' HA ' ' O ' ' A' ' 17' ' ' THR . 75.4 mtt-85 -133.33 173.26 11.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 45' ' ' PRO . 2.0 pttt -149.65 143.64 25.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.296 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.493 ' N ' ' C ' ' A' ' 45' ' ' PRO . 15.2 t0 50.55 77.14 0.48 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 109.321 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.493 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.1 Cg_endo -75.07 171.49 67.83 Favored 'Cis proline' 0 C--N 1.36 1.133 0 C-N-CA 121.017 -2.493 . . . . 0.0 110.98 0.056 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.58 ' CB ' HD12 ' A' ' 122' ' ' LEU . . . -97.71 105.67 17.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.357 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.528 ' CE2' ' OE1' ' A' ' 13' ' ' GLU . 25.8 m-85 -152.45 167.82 27.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 111.005 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 1.02 HD12 ' O ' ' A' ' 40' ' ' VAL . 5.7 tp -142.23 113.64 7.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.72 ' O ' HG12 ' A' ' 40' ' ' VAL . 37.2 m-70 -116.23 165.3 13.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.609 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.624 ' C ' ' CD1' ' A' ' 51' ' ' TYR . 4.1 p90 -145.48 -175.31 4.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.984 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.855 ' HA ' HG23 ' A' ' 61' ' ' VAL . 29.5 m-85 -157.94 148.35 20.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 111.036 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -82.28 122.5 79.29 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.175 0 O-C-N 124.502 1.79 . . . . 0.0 111.006 -179.987 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 18.7 mmt85 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.611 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 18.4 Cg_endo -74.95 159.81 41.07 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.481 1.779 . . . . 0.0 111.002 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.855 HG23 ' HA ' ' A' ' 51' ' ' TYR . 2.8 t -75.32 -30.37 22.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.354 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -163.81 -117.07 0.4 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.471 1.107 . . . . 0.0 111.024 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 114.22 129.38 4.81 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.635 ' CE1' HD23 ' A' ' 48' ' ' LEU . 16.5 p90 -123.64 162.11 23.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 0.771 . . . . 0.0 111.016 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.3 p -74.82 156.54 36.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 109.997 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.69 ' O ' HG22 ' A' ' 123' ' ' THR . 54.2 mt -108.98 -36.42 6.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.2 OUTLIER -37.84 -70.44 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.308 179.929 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -90.73 53.36 3.36 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.518 1.136 . . . . 0.0 111.02 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 36.8 m -132.82 -174.96 3.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 0.76 . . . . 0.0 110.016 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.993 HD13 ' N ' ' A' ' 71' ' ' VAL . 3.2 tm? -155.74 154.7 31.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.993 ' N ' HD13 ' A' ' 70' ' ' LEU . 7.5 p -138.39 140.39 39.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.9 m -148.86 164.7 33.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.011 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -100.33 160.53 14.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.79 HD12 ' HB2' ' A' ' 91' ' ' LEU . 2.4 mt . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 109.284 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.79 ' HB2' HD12 ' A' ' 74' ' ' LEU . 1.1 mp . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.611 ' HB3' HD11 ' A' ' 116' ' ' ILE . 37.9 p90 -163.2 160.28 23.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 111.023 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.75 159.4 26.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.512 HG11 ' CE2' ' A' ' 64' ' ' PHE . 59.1 t -129.51 113.73 28.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 12.9 mt -92.56 103.79 14.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.265 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 81.1 p -81.51 177.01 9.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.421 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.89 -19.05 10.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -89.19 15.29 9.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 51.14 23.59 1.64 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.1 . . . . 0.0 109.331 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 89.0 m -88.71 122.12 31.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.379 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -88.9 105.79 17.98 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.546 1.154 . . . . 0.0 109.569 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 -94.91 101.96 13.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.569 1.168 . . . . 0.0 110.99 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -77.66 121.23 23.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.934 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.518 HG22 ' N ' ' A' ' 105' ' ' GLN . 61.4 mt -126.37 166.64 22.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.652 ' O ' HD22 ' A' ' 24' ' ' LEU . 16.9 tt0 -121.29 148.95 43.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.327 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.494 ' HB1' ' HB3' ' A' ' 111' ' ' GLU . . . -112.66 157.22 21.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.02 -51.98 62.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 109.984 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -134.37 -175.96 4.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 110.012 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.19 -36.71 84.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -72.93 -51.51 18.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.494 ' HB3' ' HB1' ' A' ' 106' ' ' ALA . 1.2 tp10 -45.09 -36.54 3.67 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 110.338 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.434 ' HA ' ' HB2' ' A' ' 106' ' ' ALA . 17.5 ttp180 -59.3 -67.88 0.33 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 110.319 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 117' ' ' GLU . . . -46.44 -45.67 18.28 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -49.51 -57.86 6.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 110.3 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' TRP . . . . . 0.534 ' CD2' ' HG2' ' A' ' 20' ' ' LYS . 72.9 m95 -59.62 -45.67 91.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 108.039 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.611 HD11 ' HB3' ' A' ' 92' ' ' PHE . 42.5 mt -56.17 -77.59 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 113' ' ' ALA . 2.2 tt0 -39.66 -41.32 1.04 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 110.307 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.407 ' HB3' ' O ' ' A' ' 115' ' ' TRP . . . -54.24 -56.5 17.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 10.4 mt -57.04 -51.85 63.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.496 ' CG ' ' CG1' ' A' ' 71' ' ' VAL . 19.3 mttt -44.79 -36.37 3.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.132 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.445 ' CG ' ' O ' ' A' ' 117' ' ' GLU . 11.3 mttt -60.64 -61.04 2.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.293 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.58 HD12 ' CB ' ' A' ' 46' ' ' ALA . 0.8 OUTLIER -47.39 -58.84 3.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.112 . . . . 0.0 109.271 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 123' ' ' THR . . . . . 0.69 HG22 ' O ' ' A' ' 66' ' ' LEU . 43.1 p . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.438 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.72 HG13 ' H ' ' A' ' 13' ' ' GLU . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.72 ' H ' HG13 ' A' ' 12' ' ' VAL . 43.9 mt-10 -55.69 -43.52 76.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.323 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.446 ' O ' ' NH1' ' A' ' 42' ' ' ARG . 0.9 OUTLIER -84.38 -13.29 52.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 9.4 t -81.63 62.35 5.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.437 1.086 . . . . 0.0 109.996 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.404 ' HA2' ' O ' ' A' ' 44' ' ' ASP . . . -141.55 170.47 24.74 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.526 1.141 . . . . 0.0 110.98 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.475 ' CB ' ' HD3' ' A' ' 43' ' ' LYS . 6.6 m -76.84 144.33 39.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 0.769 . . . . 0.0 110.369 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.418 HG13 ' HG3' ' A' ' 21' ' ' GLN . 2.1 t -80.43 128.59 38.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.289 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.72 HG13 ' CE ' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -111.31 -43.45 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.315 179.928 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.537 ' HG2' ' CD2' ' A' ' 115' ' ' TRP . 4.3 tptt -144.96 140.52 28.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.764 ' HG2' HG23 ' A' ' 40' ' ' VAL . 30.6 mt-30 -145.23 148.95 34.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.433 1.083 . . . . 0.0 110.302 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 162.85 -160.15 32.57 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.446 1.091 . . . . 0.0 110.993 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.554 ' CE2' ' HB2' ' A' ' 38' ' ' ARG . 68.9 m-85 -119.77 121.5 39.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 0.762 . . . . 0.0 111.015 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.688 HD22 ' O ' ' A' ' 105' ' ' GLN . 39.6 mt -114.18 169.45 9.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.634 ' HB3' ' HB3' ' A' ' 105' ' ' GLN . . . -118.5 106.35 12.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 109.25 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 60.8 tttt -88.67 113.98 24.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.516 ' HB2' ' CE2' ' A' ' 34' ' ' TRP . 42.7 tt0 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 110.268 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.516 ' CE2' ' HB2' ' A' ' 27' ' ' GLN . 24.6 m95 . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.401 ' O ' ' HA ' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -118.93 136.85 53.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.279 -179.934 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.4 t -82.61 139.43 17.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.5 ttp180 -149.9 149.3 30.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.291 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.554 ' HB2' ' CE2' ' A' ' 23' ' ' TYR . 9.9 ttp180 -78.67 102.91 8.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.436 1.085 . . . . 0.0 110.351 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.558 ' CD1' ' HB2' ' A' ' 24' ' ' LEU . 16.2 m-85 -95.83 140.41 30.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 111.039 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.945 ' O ' HD12 ' A' ' 48' ' ' LEU . 12.0 p -123.48 137.93 55.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.848 ' HG ' HD13 ' A' ' 48' ' ' LEU . 0.7 OUTLIER -112.28 114.77 27.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.446 ' NH1' ' O ' ' A' ' 14' ' ' LEU . 1.7 mtt180 -117.22 150.28 39.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.329 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.72 ' CE ' HG13 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -124.77 154.25 41.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.458 ' HA ' ' HA ' ' A' ' 45' ' ' PRO . 1.2 t70 41.33 79.8 0.31 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.265 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.483 ' CG ' ' O ' ' A' ' 12' ' ' VAL . 18.4 Cg_endo -74.97 170.33 72.12 Favored 'Cis proline' 0 C--N 1.36 1.174 0 C-N-CA 120.979 -2.509 . . . . 0.0 111.026 -0.049 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.43 ' HB1' ' HB3' ' A' ' 122' ' ' LEU . . . -95.13 106.7 18.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 109.258 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.422 ' CD1' ' O ' ' A' ' 46' ' ' ALA . 45.5 m-85 -152.34 178.38 9.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.984 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.945 HD12 ' O ' ' A' ' 40' ' ' VAL . 10.0 tp -151.96 119.57 6.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.615 ' O ' HG12 ' A' ' 40' ' ' VAL . 48.5 m-70 -125.09 163.8 21.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 109.587 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.612 ' C ' ' CD1' ' A' ' 51' ' ' TYR . 1.8 p90 -139.55 -177.39 4.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.964 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.768 ' HA ' HG23 ' A' ' 61' ' ' VAL . 32.3 m-85 -158.71 146.16 17.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 111.003 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 62.8 t0 -78.53 123.86 85.5 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.166 0 O-C-N 124.521 1.801 . . . . 0.0 111.009 -179.979 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 41.2 mmt-85 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.364 -0.235 . . . . 0.0 110.364 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.59 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 18.3 Cg_endo -74.97 162.51 37.06 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.537 1.809 . . . . 0.0 111.047 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.768 HG23 ' HA ' ' A' ' 51' ' ' TYR . 2.1 t -70.88 -28.1 32.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -167.92 -118.22 0.43 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.457 1.098 . . . . 0.0 111.038 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.42 ' N ' ' CE1' ' A' ' 50' ' ' TYR . . . 113.27 134.19 5.97 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.721 ' CE2' HG11 ' A' ' 94' ' ' VAL . 11.3 p90 -128.38 161.87 28.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 0.752 . . . . 0.0 110.996 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -75.91 150.44 37.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.987 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.576 ' O ' HG22 ' A' ' 123' ' ' THR . 29.1 mt -102.67 -32.32 9.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 109.29 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -38.25 -57.91 1.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 110.297 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -102.87 42.92 1.78 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.479 1.112 . . . . 0.0 110.989 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.409 ' OG ' ' HA ' ' A' ' 66' ' ' LEU . 4.6 p -121.31 -174.37 2.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 0.775 . . . . 0.0 110.013 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 95' ' ' ILE . 0.8 OUTLIER -155.26 168.52 26.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.567 ' CG1' ' HG3' ' A' ' 120' ' ' LYS . 8.1 p -153.44 145.49 14.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.327 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 13.7 m -161.63 160.81 29.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.991 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -93.9 135.78 34.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.81 HD22 ' CE2' ' A' ' 103' ' ' TYR . 1.6 mt . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.132 . . . . 0.0 109.25 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.765 ' HB2' HD12 ' A' ' 74' ' ' LEU . 1.9 mp . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.661 ' HB3' HD11 ' A' ' 116' ' ' ILE . 27.8 p90 -151.71 165.51 34.15 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.135 . . . . 0.0 110.965 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.615 ' HB3' HD21 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -121.86 166.75 13.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.721 HG11 ' CE2' ' A' ' 64' ' ' PHE . 76.6 t -132.6 100.7 4.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.266 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.902 HG23 ' CD2' ' A' ' 101' ' ' HIS . 40.7 mt -85.54 117.54 30.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.125 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 44.0 p -88.69 -166.65 1.65 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.575 1.172 . . . . 0.0 110.439 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.05 -9.71 59.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 0.0 109.308 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -100.6 4.3 43.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.488 ' C ' ' CD2' ' A' ' 101' ' ' HIS . 1.8 t70 56.38 36.6 27.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.272 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.476 HG21 ' CE2' ' A' ' 102' ' ' TYR . 50.2 m -70.09 -57.38 5.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 110.43 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.902 ' CD2' HG23 ' A' ' 95' ' ' ILE . 4.0 m170 79.88 94.93 0.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.097 . . . . 0.0 109.573 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.476 ' CE2' HG21 ' A' ' 100' ' ' THR . 59.6 m-85 -103.21 115.34 30.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 110.998 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' TYR . . . . . 0.81 ' CE2' HD22 ' A' ' 74' ' ' LEU . 3.5 m-85 -81.19 114.57 20.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 111.021 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.561 ' HB ' ' CZ ' ' A' ' 92' ' ' PHE . 66.2 mt -117.48 165.19 13.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.688 ' O ' HD22 ' A' ' 24' ' ' LEU . 66.0 tt0 -121.15 158.52 27.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.281 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.548 ' HB1' ' HB3' ' A' ' 111' ' ' GLU . . . -114.45 151.12 33.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.294 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 42.9 t -52.32 -48.68 65.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 110.005 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.4 156.43 47.6 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 109.988 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.43 -38.94 0.9 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -68.87 -58.8 3.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.548 ' HB3' ' HB1' ' A' ' 106' ' ' ALA . 0.8 OUTLIER -39.17 -39.36 0.59 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.322 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.527 ' HA ' ' HB2' ' A' ' 106' ' ' ALA . 16.2 ttp180 -56.42 -70.94 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 110.293 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -41.0 -49.68 3.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.289 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 38.5 mm-40 -58.17 -59.4 5.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 110.293 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' TRP . . . . . 0.575 ' CD1' HD21 ' A' ' 24' ' ' LEU . 40.1 m95 -49.5 -36.29 22.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.122 . . . . 0.0 108.025 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.661 HD11 ' HB3' ' A' ' 92' ' ' PHE . 86.2 mt -71.46 -74.49 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 116' ' ' ILE . 2.5 tt0 -34.92 -42.82 0.17 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.276 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.475 ' HB1' HD13 ' A' ' 41' ' ' LEU . . . -56.8 -64.39 0.89 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.491 HG21 ' HB ' ' A' ' 71' ' ' VAL . 89.9 mt -42.52 -61.08 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.544 1.152 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.567 ' HG3' ' CG1' ' A' ' 71' ' ' VAL . 1.6 mptp? -37.53 -54.03 1.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.333 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 11.4 mttt -42.82 -57.29 2.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.457 HD23 HD13 ' A' ' 66' ' ' LEU . 0.4 OUTLIER -51.77 -56.19 15.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 123' ' ' THR . . . . . 0.576 HG22 ' O ' ' A' ' 66' ' ' LEU . 80.9 p . . . . . 0 C--N 1.326 -0.429 0 O-C-N 124.478 1.111 . . . . 0.0 110.377 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.744 HG13 ' H ' ' A' ' 13' ' ' GLU . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.744 ' H ' HG13 ' A' ' 12' ' ' VAL . 42.1 mt-10 -61.06 -40.94 95.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.314 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.4 HD21 ' ND1' ' A' ' 49' ' ' HIS . 3.2 mt -84.21 4.67 29.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 10.2 t -106.09 62.79 0.66 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.981 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -134.12 169.61 22.89 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.481 1.113 . . . . 0.0 111.041 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 43' ' ' LYS . 1.8 m -79.03 123.4 27.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 0.761 . . . . 0.0 110.405 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.499 HG13 ' HG3' ' A' ' 21' ' ' GLN . 2.2 t -60.1 124.13 13.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.241 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -110.49 -26.52 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 109.291 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.533 ' HG2' ' CD2' ' A' ' 115' ' ' TRP . 2.6 tptt -158.77 140.94 13.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.554 ' OE1' HG23 ' A' ' 40' ' ' VAL . 20.6 mt-30 -146.55 145.2 30.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 110.306 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 163.45 -167.04 37.5 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.503 1.127 . . . . 0.0 111.009 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.508 ' CZ ' ' HD3' ' A' ' 38' ' ' ARG . 27.4 m-85 -115.15 121.36 42.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 0.775 . . . . 0.0 111.004 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.688 HD11 ' CD2' ' A' ' 115' ' ' TRP . 60.0 mt -116.91 167.12 11.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.62 ' HB3' ' HB3' ' A' ' 105' ' ' GLN . . . -113.13 124.86 53.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 44.1 tttm -109.44 131.7 54.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.512 ' HB2' ' CE2' ' A' ' 34' ' ' TRP . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.266 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.512 ' CE2' ' HB2' ' A' ' 27' ' ' GLN . 17.0 m0 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.25 129.76 52.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.406 ' O ' HG12 ' A' ' 36' ' ' VAL . 0.9 OUTLIER -76.96 115.82 19.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 0.0 109.368 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.669 ' HD3' HG21 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -122.43 148.51 45.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.249 -179.945 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.508 ' HD3' ' CZ ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -82.12 103.91 12.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 110.289 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.443 ' CD1' ' HB2' ' A' ' 24' ' ' LEU . 20.1 m-85 -96.89 138.9 33.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.988 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.883 ' O ' HD12 ' A' ' 48' ' ' LEU . 13.6 p -124.35 139.08 51.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.336 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.847 ' HG ' HD13 ' A' ' 48' ' ' LEU . 0.8 OUTLIER -115.59 132.5 56.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.8 mtt180 -131.74 167.41 19.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 110.302 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 17' ' ' THR . 0.5 OUTLIER -142.17 141.2 32.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 109.301 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.491 ' N ' ' C ' ' A' ' 45' ' ' PRO . 9.1 t0 51.36 77.24 0.47 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.491 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.3 Cg_endo -74.98 169.62 74.05 Favored 'Cis proline' 0 C--N 1.36 1.165 0 C-N-CA 120.98 -2.508 . . . . 0.0 111.028 -0.014 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.429 ' HB1' ' HB3' ' A' ' 122' ' ' LEU . . . -98.85 100.54 11.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.572 ' CE2' ' HG2' ' A' ' 13' ' ' GLU . 13.6 m-85 -144.68 167.76 21.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 111.0 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.883 HD12 ' O ' ' A' ' 40' ' ' VAL . 11.7 tp -141.46 114.56 8.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 109.33 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.625 ' O ' HG12 ' A' ' 40' ' ' VAL . 38.8 m-70 -117.81 156.54 28.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.589 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.497 ' CD1' ' NH1' ' A' ' 37' ' ' ARG . 24.5 p90 -141.09 140.92 34.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 111.014 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.609 ' HA ' HG23 ' A' ' 61' ' ' VAL . 28.8 m-85 -112.93 158.3 20.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 110.969 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.577 ' N ' ' CG2' ' A' ' 61' ' ' VAL . 1.1 p30 -97.74 123.84 50.35 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.175 0 O-C-N 124.489 1.784 . . . . 0.0 111.015 179.978 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 23.3 mmt85 . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 110.257 -0.275 . . . . 0.0 110.257 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.511 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 18.3 Cg_endo -74.98 170.5 20.28 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.494 1.786 . . . . 0.0 110.981 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.669 HG21 ' HD3' ' A' ' 37' ' ' ARG . 0.3 OUTLIER -87.13 -20.19 7.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.442 1.089 . . . . 0.0 109.316 179.93 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -171.86 -137.62 2.37 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.507 1.129 . . . . 0.0 110.983 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 134.55 121.9 2.2 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.694 ' CZ ' HD23 ' A' ' 48' ' ' LEU . 1.9 p90 -116.9 163.25 16.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 0.768 . . . . 0.0 110.999 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 12.1 p -73.52 153.84 40.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.108 . . . . 0.0 110.03 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.797 HD13 HD23 ' A' ' 122' ' ' LEU . 99.3 mt -108.81 -42.37 4.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.38 -32.21 7.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 110.283 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -117.55 49.33 0.87 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.475 1.109 . . . . 0.0 110.968 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 26.2 m -145.67 -174.7 4.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 0.75 . . . . 0.0 110.036 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.631 ' O ' HG13 ' A' ' 94' ' ' VAL . 0.7 OUTLIER -152.9 169.33 23.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.16 . . . . 0.0 109.287 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.593 HG12 ' HG2' ' A' ' 120' ' ' LYS . 11.3 p -147.52 149.09 15.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.329 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.5 m -160.55 167.07 27.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.992 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -93.63 161.74 14.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.579 HD21 ' HB3' ' A' ' 93' ' ' LYS . 12.8 mt . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.506 ' CB ' HD12 ' A' ' 74' ' ' LEU . 1.2 mt . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.564 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 20.3 p90 -173.73 145.27 1.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 111.007 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.579 ' HB3' HD21 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -106.67 167.06 10.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 109.298 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.631 HG13 ' O ' ' A' ' 70' ' ' LEU . 71.0 t -135.71 106.21 5.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 0.0 109.253 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.764 HG23 ' CE1' ' A' ' 101' ' ' HIS . 51.6 mt -85.15 109.27 17.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.158 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.424 HG21 ' CE2' ' A' ' 102' ' ' TYR . 7.3 p -87.58 177.34 7.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.412 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 6.3 tttt -58.57 -24.86 61.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.309 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -84.86 7.35 21.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.276 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 44.8 42.45 6.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 2.7 m -82.33 -49.08 10.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.579 1.174 . . . . 0.0 110.38 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.764 ' CE1' HG23 ' A' ' 95' ' ' ILE . 0.6 OUTLIER 79.08 92.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 109.591 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.424 ' CE2' HG21 ' A' ' 96' ' ' THR . 45.2 m-85 -94.12 126.77 39.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 111.023 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -89.85 127.53 36.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 110.992 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.564 ' HB ' ' CZ ' ' A' ' 92' ' ' PHE . 60.0 mt -134.67 161.19 40.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.275 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.62 ' HB3' ' HB3' ' A' ' 25' ' ' ALA . 3.5 tp60 -119.62 151.68 38.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.309 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.521 ' HB3' ' HB2' ' A' ' 112' ' ' ARG . . . -106.0 153.55 21.86 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 109.365 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.18 -44.83 90.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.04 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -133.28 166.61 22.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.999 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 2.9 mptt -56.12 -26.15 48.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.112 . . . . 0.0 109.285 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -84.17 -52.88 5.91 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 0.0 109.265 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.458 ' HB3' ' HB1' ' A' ' 106' ' ' ALA . 0.7 OUTLIER -39.83 -40.85 1.04 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.271 -179.933 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.574 ' NE ' HD12 ' A' ' 116' ' ' ILE . 2.7 ttp180 -60.57 -72.9 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.31 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -41.42 -33.22 0.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -74.17 -50.51 18.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.309 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' TRP . . . . . 0.688 ' CD2' HD11 ' A' ' 24' ' ' LEU . 58.7 m95 -62.93 -24.02 67.66 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.574 HD12 ' NE ' ' A' ' 112' ' ' ARG . 63.5 mt -79.85 -77.1 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 116' ' ' ILE . 2.1 tt0 -37.74 -43.23 0.64 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 110.274 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.406 ' HB1' HD13 ' A' ' 41' ' ' LEU . . . -54.81 -59.07 5.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.572 HD12 ' O ' ' A' ' 115' ' ' TRP . 35.8 mt -50.45 -56.69 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 0.0 109.275 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.593 ' HG2' HG12 ' A' ' 71' ' ' VAL . 18.1 mttt -40.85 -51.85 3.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 13.3 mttt -42.26 -60.31 1.51 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.797 HD23 HD13 ' A' ' 66' ' ' LEU . 0.3 OUTLIER -52.75 -53.8 42.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.32 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 123' ' ' THR . . . . . 0.755 HG22 ' O ' ' A' ' 66' ' ' LEU . 22.0 p . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.411 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.743 HG13 ' H ' ' A' ' 13' ' ' GLU . 2.4 p . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.743 ' H ' HG13 ' A' ' 12' ' ' VAL . 2.9 mt-10 -83.2 -25.84 31.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.275 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.613 HD23 ' OH ' ' A' ' 51' ' ' TYR . 6.1 mp -83.19 -1.42 52.96 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.35 53.61 2.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.561 1.163 . . . . 0.0 110.083 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -129.01 151.03 18.98 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.506 1.129 . . . . 0.0 110.996 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.446 ' N ' ' O ' ' A' ' 43' ' ' LYS . 1.2 m -68.69 118.9 12.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 0.762 . . . . 0.0 110.432 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.474 HG13 ' HG3' ' A' ' 21' ' ' GLN . 2.2 t -47.69 121.86 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.53 HG13 ' HE2' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -109.94 -18.99 7.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.543 ' HG2' ' CD2' ' A' ' 115' ' ' TRP . 3.5 tptt -168.95 140.26 2.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.336 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.474 ' HG3' HG13 ' A' ' 18' ' ' VAL . 35.8 mt-30 -142.19 150.27 40.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.456 1.098 . . . . 0.0 110.305 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 159.35 -179.59 34.84 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.525 1.141 . . . . 0.0 111.023 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.43 ' CZ ' ' HD3' ' A' ' 38' ' ' ARG . 53.0 m-85 -111.16 122.77 48.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 0.76 . . . . 0.0 110.992 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.546 HD22 ' HA ' ' A' ' 106' ' ' ALA . 9.1 mt -117.28 172.09 7.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -120.25 106.99 12.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.312 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -76.29 148.43 37.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.52 ' HG3' ' CE2' ' A' ' 34' ' ' TRP . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.234 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.52 ' CE2' ' HG3' ' A' ' 27' ' ' GLN . 93.4 m95 . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.46 118.69 26.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.9 t -57.01 130.74 20.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -142.71 148.85 37.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 110.312 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.43 ' HD3' ' CZ ' ' A' ' 23' ' ' TYR . 0.5 OUTLIER -81.23 102.92 10.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 110.282 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.477 ' CG ' HD12 ' A' ' 24' ' ' LEU . 24.5 m-85 -96.92 127.9 43.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 0.0 110.977 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.967 ' O ' HD12 ' A' ' 48' ' ' LEU . 7.5 p -114.86 141.06 32.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.673 ' HG ' HD13 ' A' ' 48' ' ' LEU . 0.4 OUTLIER -118.47 126.78 52.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.4 ' NH1' ' O ' ' A' ' 14' ' ' LEU . 49.1 mtt-85 -125.93 164.75 20.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.124 . . . . 0.0 110.305 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.53 ' HE2' HG13 ' A' ' 19' ' ' VAL . 1.6 pttt -138.93 145.57 39.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.16 . . . . 0.0 109.287 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.486 ' N ' ' C ' ' A' ' 45' ' ' PRO . 0.7 OUTLIER 48.98 77.51 0.46 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.357 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.486 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.2 Cg_endo -75.08 170.64 71.31 Favored 'Cis proline' 0 C--N 1.36 1.169 0 C-N-CA 120.996 -2.502 . . . . 0.0 110.958 0.127 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.74 ' CB ' HD12 ' A' ' 122' ' ' LEU . . . -96.59 94.98 7.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.553 ' CD2' ' HB3' ' A' ' 13' ' ' GLU . 12.7 m-85 -141.71 157.41 45.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 111.024 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.967 HD12 ' O ' ' A' ' 40' ' ' VAL . 6.6 tp -130.38 113.91 14.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.725 ' O ' HG12 ' A' ' 40' ' ' VAL . 57.1 m-70 -115.47 161.95 17.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.647 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.512 ' O ' HG23 ' A' ' 61' ' ' VAL . 26.3 p90 -145.93 144.46 30.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.462 1.102 . . . . 0.0 111.01 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.7 ' HA ' HG23 ' A' ' 61' ' ' VAL . 12.3 m-85 -120.39 148.5 43.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 111.031 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 47.7 t0 -81.24 122.5 81.4 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.182 0 O-C-N 124.514 1.797 . . . . 0.0 111.03 179.981 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.548 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 18.3 Cg_endo -74.99 174.38 12.88 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.523 1.802 . . . . 0.0 111.012 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.7 HG23 ' HA ' ' A' ' 51' ' ' TYR . 1.8 t -92.63 -24.13 5.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -164.51 -119.52 0.48 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.519 1.137 . . . . 0.0 110.987 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 116.92 123.93 3.49 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.625 ' CZ ' HD23 ' A' ' 48' ' ' LEU . 1.6 p90 -120.54 157.25 29.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 0.766 . . . . 0.0 111.017 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.0 p -69.17 149.0 49.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.983 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.484 ' O ' HG22 ' A' ' 123' ' ' THR . 37.8 mt -99.6 -46.63 5.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -36.97 -54.96 0.94 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.516 1.135 . . . . 0.0 110.3 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -99.74 56.56 0.86 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.511 1.132 . . . . 0.0 110.999 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.404 ' HA ' ' HA ' ' A' ' 96' ' ' THR . 4.8 m -140.49 -177.92 5.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 0.74 . . . . 0.0 109.967 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 1.024 HD13 ' N ' ' A' ' 71' ' ' VAL . 3.2 tm? -155.89 153.23 29.34 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.554 1.159 . . . . 0.0 109.329 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 1.024 ' N ' HD13 ' A' ' 70' ' ' LEU . 14.7 p -141.1 143.45 28.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.9 m -158.89 163.63 36.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.996 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -96.03 152.08 18.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.117 . . . . 0.0 109.305 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.535 ' CD2' ' CZ ' ' A' ' 103' ' ' TYR . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.447 1.092 . . . . 0.0 109.264 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.466 ' HB2' HD12 ' A' ' 74' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.565 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 23.3 p90 -161.59 173.37 14.87 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.484 1.115 . . . . 0.0 111.009 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.547 ' HE3' ' CD2' ' A' ' 101' ' ' HIS . 0.0 OUTLIER -130.11 154.73 47.19 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 91.4 t -123.33 102.71 11.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.142 . . . . 0.0 109.294 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.442 ' CG1' ' HE2' ' A' ' 93' ' ' LYS . 25.2 mt -86.12 106.25 15.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.404 ' HA ' ' HA ' ' A' ' 69' ' ' SER . 27.2 p -83.94 175.19 9.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 110.378 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 3.2 tttp -59.38 -15.76 18.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.404 ' C ' ' CG ' ' A' ' 99' ' ' ASP . 0.3 OUTLIER -88.67 19.53 3.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.404 ' CG ' ' C ' ' A' ' 98' ' ' ASP . 0.1 OUTLIER 48.22 25.96 0.96 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.283 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 91.6 m -96.23 121.87 38.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 110.386 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.547 ' CD2' ' HE3' ' A' ' 93' ' ' LYS . 1.8 m-70 -90.43 108.21 19.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.602 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 54.6 m-85 -100.3 102.63 13.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.968 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' TYR . . . . . 0.535 ' CZ ' ' CD2' ' A' ' 74' ' ' LEU . 3.2 m-85 -75.53 127.02 32.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.998 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.565 ' HB ' ' CZ ' ' A' ' 92' ' ' PHE . 53.4 mt -125.41 162.3 28.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.45 ' N ' ' CG2' ' A' ' 104' ' ' ILE . 4.9 tt0 -123.47 128.3 49.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 110.332 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.565 ' HB1' ' HB3' ' A' ' 111' ' ' GLU . . . -81.57 169.12 17.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.131 . . . . 0.0 109.336 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 10.5 t -83.18 -46.83 12.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 110.045 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -127.96 174.13 9.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.012 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.79 -59.02 5.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 111' ' ' GLU . . . -54.85 -54.19 45.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.565 ' HB3' ' HB1' ' A' ' 106' ' ' ALA . 0.0 OUTLIER -38.06 -41.5 0.58 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.442 1.089 . . . . 0.0 110.303 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.537 HH11 ' N ' ' A' ' 113' ' ' ALA . 0.0 OUTLIER -52.61 -71.12 0.07 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 0.0 110.298 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.537 ' N ' HH11 ' A' ' 112' ' ' ARG . . . -55.04 -43.89 74.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.418 1.074 . . . . 0.0 109.292 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.444 ' OE1' ' NZ ' ' A' ' 20' ' ' LYS . 6.7 mt-10 -47.81 -63.33 1.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.14 . . . . 0.0 110.301 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' TRP . . . . . 0.61 ' O ' HD12 ' A' ' 119' ' ' ILE . 80.7 m95 -54.17 -43.66 70.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 108.015 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.501 HD12 ' NH1' ' A' ' 112' ' ' ARG . 35.3 mt -55.27 -78.34 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.402 ' N ' HG22 ' A' ' 116' ' ' ILE . 0.3 OUTLIER -39.67 -48.46 2.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 110.296 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.405 ' HB1' HD13 ' A' ' 41' ' ' LEU . . . -45.66 -59.58 2.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.62 ' O ' HG23 ' A' ' 123' ' ' THR . 5.6 mt -55.48 -42.69 69.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.524 ' HG2' ' CG1' ' A' ' 71' ' ' VAL . 18.9 mttt -58.52 -47.68 83.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 22.8 mttt -49.95 -60.68 2.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.74 HD12 ' CB ' ' A' ' 46' ' ' ALA . 1.1 mm? -47.55 -57.82 4.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 123' ' ' THR . . . . . 0.62 HG23 ' O ' ' A' ' 119' ' ' ILE . 26.0 p . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 110.371 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.697 HG13 ' H ' ' A' ' 13' ' ' GLU . 2.7 p . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.697 ' H ' HG13 ' A' ' 12' ' ' VAL . 55.2 mt-10 -58.11 -49.37 77.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 110.305 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.702 HD11 ' CG ' ' A' ' 49' ' ' HIS . 1.6 mm? -81.67 -1.28 46.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.49 63.84 3.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 110.005 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.473 ' CA ' ' HD2' ' A' ' 45' ' ' PRO . . . -138.2 161.52 25.61 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.504 1.127 . . . . 0.0 110.949 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 33.5 m -68.16 114.11 6.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 0.781 . . . . 0.0 110.359 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.2 t -67.24 115.45 5.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.552 HG13 ' HG2' ' A' ' 43' ' ' LYS . 0.3 OUTLIER -102.22 -30.58 3.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.546 ' HG2' ' CD2' ' A' ' 115' ' ' TRP . 8.4 tptt -144.87 146.05 31.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -167.12 129.47 1.7 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.105 . . . . 0.0 110.276 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -169.54 -146.27 4.99 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.466 1.104 . . . . 0.0 110.981 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.542 ' CE1' ' HD3' ' A' ' 38' ' ' ARG . 57.7 m-85 -127.8 109.85 12.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 0.777 . . . . 0.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.58 HD12 ' CG ' ' A' ' 39' ' ' PHE . 26.0 mt -105.63 171.46 7.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.569 ' HB3' ' HB3' ' A' ' 105' ' ' GLN . . . -124.29 102.06 7.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 29.2 tttt -87.29 119.88 28.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.332 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 46.8 m95 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.419 ' O ' ' HA ' ' A' ' 25' ' ' ALA . 11.4 mmtt -94.06 130.32 40.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.8 t -78.32 131.12 35.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 109.339 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.593 ' NH1' HG11 ' A' ' 61' ' ' VAL . 0.4 OUTLIER -138.05 156.53 47.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.298 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.542 ' HD3' ' CE1' ' A' ' 23' ' ' TYR . 1.2 ttp180 -91.35 102.93 15.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.56 1.163 . . . . 0.0 110.321 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.58 ' CG ' HD12 ' A' ' 24' ' ' LEU . 23.6 m-85 -96.29 141.42 29.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 111.015 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.799 ' O ' HD12 ' A' ' 48' ' ' LEU . 5.4 p -124.51 139.47 50.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.558 ' CD1' ' HB1' ' A' ' 118' ' ' ALA . 0.0 OUTLIER -114.81 118.5 33.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 109.341 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.604 HH21 HG11 ' A' ' 40' ' ' VAL . 5.4 mtt-85 -117.51 150.63 38.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 110.268 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.552 ' HG2' HG13 ' A' ' 19' ' ' VAL . 0.5 OUTLIER -130.06 148.64 51.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.569 1.168 . . . . 0.0 109.294 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.465 ' N ' ' C ' ' A' ' 45' ' ' PRO . 19.4 t0 40.7 78.96 0.34 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.473 ' HD2' ' CA ' ' A' ' 16' ' ' GLY . 18.2 Cg_endo -75.0 165.47 85.84 Favored 'Cis proline' 0 C--N 1.359 1.12 0 C-N-CA 120.979 -2.509 . . . . 0.0 111.015 -0.035 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.858 ' HB2' HD12 ' A' ' 122' ' ' LEU . . . -93.39 113.36 25.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.528 ' CE2' ' HG2' ' A' ' 13' ' ' GLU . 2.0 m-85 -157.08 157.22 34.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 111.039 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.799 HD12 ' O ' ' A' ' 40' ' ' VAL . 23.8 tp -133.47 113.38 12.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.702 ' CG ' HD11 ' A' ' 14' ' ' LEU . 61.0 m-70 -120.05 166.38 13.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 109.626 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.447 ' O ' ' CD1' ' A' ' 50' ' ' TYR . 21.4 p90 -154.9 141.78 19.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 111.001 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.957 ' HA ' HG23 ' A' ' 61' ' ' VAL . 4.7 m-85 -117.06 163.62 15.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 111.014 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -91.57 122.92 65.05 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 109.286 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.184 0 O-C-N 124.452 1.764 . . . . 0.0 110.997 180.0 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.452 ' CG ' ' HD2' ' A' ' 60' ' ' PRO . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.602 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 18.2 Cg_endo -75.07 158.14 42.09 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.499 1.789 . . . . 0.0 110.996 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.957 HG23 ' HA ' ' A' ' 51' ' ' TYR . 3.9 t -75.21 -31.26 24.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -161.95 -115.58 0.36 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.477 1.111 . . . . 0.0 111.024 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 101.31 126.3 5.8 Favored Glycine 0 CA--C 1.531 1.041 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.621 ' HE1' HD23 ' A' ' 48' ' ' LEU . 0.1 OUTLIER -110.89 -176.94 3.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 0.782 . . . . 0.0 111.003 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 66.8 m -88.68 161.2 16.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 110.018 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.71 ' O ' HG22 ' A' ' 123' ' ' THR . 72.3 mt -110.61 -38.43 5.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.9 OUTLIER -38.41 -64.01 0.46 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 110.317 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -99.4 48.18 1.29 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.495 1.122 . . . . 0.0 111.006 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.414 ' OG ' ' HA ' ' A' ' 66' ' ' LEU . 7.0 p -123.47 -173.08 2.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 0.772 . . . . 0.0 109.981 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -156.23 167.95 28.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.345 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.488 ' CG1' ' HG2' ' A' ' 120' ' ' LYS . 7.3 p -153.0 143.04 14.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.554 1.159 . . . . 0.0 109.295 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 37.6 m -158.81 156.51 29.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.972 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -92.81 153.04 19.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.336 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.935 HD12 ' HB2' ' A' ' 91' ' ' LEU . 2.2 mt . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.935 ' HB2' HD12 ' A' ' 74' ' ' LEU . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.663 ' HB3' HD11 ' A' ' 116' ' ' ILE . 12.8 p90 -153.95 167.99 27.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 110.935 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.98 167.4 19.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.328 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 67.3 t -126.73 107.34 16.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.593 HG23 ' CE1' ' A' ' 101' ' ' HIS . 84.5 mt -89.2 111.62 23.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 0.0 109.272 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.415 HG21 ' HE2' ' A' ' 102' ' ' TYR . 69.1 p -81.71 -178.1 6.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.394 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.75 -9.65 51.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -105.15 19.37 20.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 43.8 42.78 4.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.603 HG21 ' CZ ' ' A' ' 102' ' ' TYR . 54.6 m -71.23 -57.4 4.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 110.411 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.593 ' CE1' HG23 ' A' ' 95' ' ' ILE . 0.4 OUTLIER 78.47 88.7 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.564 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.603 ' CZ ' HG21 ' A' ' 100' ' ' THR . 51.2 m-85 -98.16 115.32 28.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 111.016 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -79.57 125.09 29.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.989 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.426 HG22 ' N ' ' A' ' 105' ' ' GLN . 74.6 mt -133.2 161.92 40.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.113 . . . . 0.0 109.27 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.569 ' HB3' ' HB3' ' A' ' 25' ' ' ALA . 40.6 tt0 -122.31 150.12 42.8 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.514 1.134 . . . . 0.0 110.314 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.571 ' HB1' ' HB3' ' A' ' 111' ' ' GLU . . . -101.65 162.44 12.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 35.3 t -67.43 -44.25 79.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 109.992 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 11.2 p -132.14 167.24 20.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.006 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -56.55 -34.85 67.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -76.11 -50.25 15.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.571 ' HB3' ' HB1' ' A' ' 106' ' ' ALA . 0.7 OUTLIER -42.4 -36.31 1.26 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.316 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 8.1 ttp180 -61.29 -70.82 0.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 110.259 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -43.9 -41.56 5.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -63.68 -57.45 10.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 110.309 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' TRP . . . . . 0.548 ' CZ3' ' HB2' ' A' ' 41' ' ' LEU . 41.6 m95 -53.29 -35.06 59.7 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.663 HD11 ' HB3' ' A' ' 92' ' ' PHE . 82.8 mt -70.56 -76.43 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 116' ' ' ILE . 2.7 tt0 -33.95 -45.79 0.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.335 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.558 ' HB1' ' CD1' ' A' ' 41' ' ' LEU . . . -52.15 -68.06 0.2 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.495 1.122 . . . . 0.0 109.347 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.526 HD12 ' O ' ' A' ' 115' ' ' TRP . 13.4 mt -41.72 -58.03 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.488 ' HG2' ' CG1' ' A' ' 71' ' ' VAL . 17.2 mttt -40.76 -52.84 2.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.339 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 17.9 mttt -43.89 -60.04 2.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 109.268 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.858 HD12 ' HB2' ' A' ' 46' ' ' ALA . 2.2 mm? -51.11 -55.24 18.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 123' ' ' THR . . . . . 0.71 HG22 ' O ' ' A' ' 66' ' ' LEU . 69.8 p . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 110.42 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.724 HG13 ' H ' ' A' ' 13' ' ' GLU . 2.6 p . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.724 ' H ' HG13 ' A' ' 12' ' ' VAL . 2.3 mm-40 -65.98 -42.98 89.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 110.315 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.571 HD23 ' CD2' ' A' ' 49' ' ' HIS . 0.6 OUTLIER -87.82 12.03 14.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.301 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.421 ' O ' ' CD ' ' A' ' 45' ' ' PRO . 0.3 OUTLIER -101.8 62.2 0.9 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 110.056 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -136.71 161.58 25.08 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.515 1.134 . . . . 0.0 110.983 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.425 ' O ' ' N ' ' A' ' 43' ' ' LYS . 3.1 m -67.41 125.98 27.84 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.513 0.772 . . . . 0.0 110.397 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.512 HG13 ' HG3' ' A' ' 21' ' ' GLN . 2.1 t -64.38 123.06 16.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.589 HG13 ' HE2' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -110.32 -28.26 2.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.519 ' HG2' ' CD2' ' A' ' 115' ' ' TRP . 5.2 tptt -156.33 142.02 17.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.346 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.512 ' HG3' HG13 ' A' ' 18' ' ' VAL . 24.8 mt-30 -148.06 150.63 34.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.277 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 158.63 -161.4 31.77 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.473 1.108 . . . . 0.0 110.996 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.47 ' CE2' ' HB2' ' A' ' 38' ' ' ARG . 61.5 m-85 -121.04 121.39 37.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 0.761 . . . . 0.0 110.998 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.621 HD21 ' CD1' ' A' ' 115' ' ' TRP . 41.0 mt -112.59 169.36 8.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.56 1.162 . . . . 0.0 109.263 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.844 ' HB3' ' HB3' ' A' ' 105' ' ' GLN . . . -121.14 104.52 9.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 109.286 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 9.6 tttt -92.46 135.8 33.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.295 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.297 179.999 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.947 ' CH2' HD22 ' A' ' 91' ' ' LEU . 11.7 m95 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.4 ' O ' ' HA ' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -113.66 133.63 55.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.095 . . . . 0.0 109.285 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.6 t -80.89 128.28 38.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.432 1.082 . . . . 0.0 109.271 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.1 ttp180 -136.14 139.39 42.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 110.27 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.47 ' HB2' ' CE2' ' A' ' 23' ' ' TYR . 1.7 ttp85 -74.18 104.41 4.96 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.509 1.131 . . . . 0.0 110.317 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.573 ' CD1' ' HB2' ' A' ' 24' ' ' LEU . 8.7 m-85 -95.77 143.25 27.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.967 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.953 ' O ' HD12 ' A' ' 48' ' ' LEU . 10.3 p -126.52 135.79 62.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.108 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.756 ' HG ' HD13 ' A' ' 48' ' ' LEU . 0.5 OUTLIER -114.29 124.03 50.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.137 . . . . 0.0 109.34 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.441 ' NH1' ' CG2' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -128.27 164.67 22.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 110.291 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.589 ' HE2' HG13 ' A' ' 19' ' ' VAL . 2.0 pttt -137.96 141.06 40.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.469 ' N ' ' O ' ' A' ' 45' ' ' PRO . 9.1 t70 52.97 78.46 0.39 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.322 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.469 ' O ' ' N ' ' A' ' 44' ' ' ASP . 18.2 Cg_endo -75.04 173.13 59.52 Favored 'Cis proline' 0 C--N 1.359 1.129 0 C-N-CA 120.991 -2.504 . . . . 0.0 110.953 0.043 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 1.01 ' CB ' HD12 ' A' ' 122' ' ' LEU . . . -101.04 99.81 10.32 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.411 1.069 . . . . 0.0 109.326 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.585 ' CE2' ' CD ' ' A' ' 13' ' ' GLU . 8.6 m-85 -149.17 152.0 35.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.132 . . . . 0.0 111.004 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.953 HD12 ' O ' ' A' ' 40' ' ' VAL . 10.5 tp -127.27 114.06 17.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.247 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.571 ' CD2' HD23 ' A' ' 14' ' ' LEU . 42.1 m-70 -115.63 164.2 14.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.584 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.629 ' C ' ' CD1' ' A' ' 51' ' ' TYR . 1.5 p90 -137.45 175.67 9.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.951 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.629 ' CD1' ' C ' ' A' ' 50' ' ' TYR . 26.4 m-85 -155.53 135.48 12.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 110.949 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -77.57 123.23 86.7 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.161 0 O-C-N 124.549 1.815 . . . . 0.0 111.004 179.989 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 5.7 mtp180 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.624 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 18.2 Cg_endo -74.98 157.45 42.84 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.507 1.793 . . . . 0.0 111.005 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.6 HG23 ' HA ' ' A' ' 51' ' ' TYR . 2.1 t -72.05 -27.19 26.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -165.48 -118.32 0.43 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.534 1.146 . . . . 0.0 111.035 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 124.69 122.53 2.65 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.707 ' CZ ' HD23 ' A' ' 48' ' ' LEU . 4.7 p90 -115.65 153.12 31.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 0.779 . . . . 0.0 110.968 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.2 p -64.4 158.34 23.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.001 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.507 HD11 ' HB2' ' A' ' 48' ' ' LEU . 88.3 mt -115.93 -43.73 2.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.357 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -38.81 -59.12 0.99 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.267 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -96.68 54.92 1.42 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.485 1.115 . . . . 0.0 111.008 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.8 m -141.4 -178.12 5.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 0.783 . . . . 0.0 109.965 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.407 ' O ' ' N ' ' A' ' 95' ' ' ILE . 25.1 tp -154.53 152.24 29.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.513 ' CG1' ' CG ' ' A' ' 120' ' ' LYS . 11.5 p -130.89 150.02 34.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 18.4 m -163.67 160.26 22.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 109.971 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -96.26 157.5 15.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.754 HD12 ' HB2' ' A' ' 91' ' ' LEU . 1.1 mt . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.947 HD22 ' CH2' ' A' ' 34' ' ' TRP . 2.0 mp . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.586 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 28.9 p90 -139.86 159.98 40.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 111.0 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.44 ' HZ2' ' HB3' ' A' ' 101' ' ' HIS . 0.0 OUTLIER -126.84 164.93 20.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 53.8 t -125.38 105.74 15.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.263 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.788 HG23 ' CE1' ' A' ' 101' ' ' HIS . 54.9 mt -84.56 104.98 13.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 82.5 p -76.72 -162.07 0.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 110.416 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.87 -19.77 47.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.418 ' O ' ' C ' ' A' ' 99' ' ' ASP . 21.9 t70 -99.77 24.06 8.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.418 ' C ' ' O ' ' A' ' 98' ' ' ASP . 27.2 m-20 38.9 46.33 1.07 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.419 HG21 ' CZ ' ' A' ' 102' ' ' TYR . 20.9 m -75.52 -55.34 5.77 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.502 1.127 . . . . 0.0 110.386 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.788 ' CE1' HG23 ' A' ' 95' ' ' ILE . 0.4 OUTLIER 78.19 91.02 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.634 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.419 ' CZ ' HG21 ' A' ' 100' ' ' THR . 47.9 m-85 -98.14 106.52 18.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 -76.63 130.01 37.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 111.023 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.586 ' HB ' ' CZ ' ' A' ' 92' ' ' PHE . 20.8 mt -134.29 167.55 25.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.844 ' HB3' ' HB3' ' A' ' 25' ' ' ALA . 5.0 tt0 -123.03 147.09 47.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.266 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.651 ' HB3' ' HG3' ' A' ' 112' ' ' ARG . . . -105.86 155.4 19.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.359 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 29.2 m -61.19 -52.7 63.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 109.986 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 15.4 m -129.93 171.82 12.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.013 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.17 -49.18 69.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.21 -51.28 69.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.32 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.417 ' HG3' ' CD1' ' A' ' 115' ' ' TRP . 0.2 OUTLIER -46.07 -38.02 7.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 110.298 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.651 ' HG3' ' HB3' ' A' ' 106' ' ' ALA . 0.3 OUTLIER -62.15 -76.81 0.05 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.106 . . . . 0.0 110.293 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 112' ' ' ARG . . . -39.56 -36.27 0.38 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 109.361 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -69.8 -54.89 11.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 110.322 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' TRP . . . . . 0.621 ' CD1' HD21 ' A' ' 24' ' ' LEU . 45.3 m95 -56.83 -23.72 45.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 107.96 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.562 HD11 ' HB3' ' A' ' 92' ' ' PHE . 96.4 mt -83.79 -75.77 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 109.279 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 116' ' ' ILE . 2.1 tt0 -37.25 -38.98 0.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.563 1.164 . . . . 0.0 110.315 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.526 ' HB1' HD13 ' A' ' 41' ' ' LEU . . . -55.24 -64.01 0.98 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 109.296 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.604 HD12 ' O ' ' A' ' 115' ' ' TRP . 13.8 mt -46.59 -53.04 3.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.513 ' CG ' ' CG1' ' A' ' 71' ' ' VAL . 23.3 mttt -44.8 -45.24 9.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 15.6 mttt -51.9 -56.03 16.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 1.01 HD12 ' CB ' ' A' ' 46' ' ' ALA . 2.9 mm? -55.21 -54.92 37.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 123' ' ' THR . . . . . 0.512 HG23 ' O ' ' A' ' 119' ' ' ILE . 50.4 p . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 110.426 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.791 HG13 ' H ' ' A' ' 13' ' ' GLU . 2.0 p . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.791 ' H ' HG13 ' A' ' 12' ' ' VAL . 43.3 mt-10 -57.4 -46.7 83.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.237 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.926 HD11 ' CG ' ' A' ' 49' ' ' HIS . 1.9 mm? -83.86 6.72 20.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.08 62.46 0.97 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.997 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.403 ' HA2' ' O ' ' A' ' 44' ' ' ASP . . . -141.76 166.25 26.28 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.463 1.102 . . . . 0.0 111.017 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.467 ' CB ' ' HD3' ' A' ' 43' ' ' LYS . 4.8 m -70.12 142.03 52.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 0.793 . . . . 0.0 110.402 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.437 HG13 ' HG3' ' A' ' 21' ' ' GLN . 2.2 t -76.68 125.65 36.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.731 HG13 ' HD2' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -108.27 -36.59 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.282 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.565 ' HG2' ' CD2' ' A' ' 115' ' ' TRP . 3.4 tptt -155.18 140.53 17.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.655 ' OE1' HG23 ' A' ' 40' ' ' VAL . 19.4 mt-30 -144.6 144.37 31.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 110.295 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 167.18 -166.63 39.35 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.5 1.125 . . . . 0.0 110.993 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.573 ' CE2' ' HB2' ' A' ' 38' ' ' ARG . 48.4 m-85 -118.48 121.55 40.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 0.785 . . . . 0.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.55 HD21 ' CD1' ' A' ' 115' ' ' TRP . 15.2 mt -114.39 173.78 6.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.262 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -120.16 109.62 15.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.097 . . . . 0.0 109.303 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.4 tttt -88.04 138.03 31.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 110.301 -179.968 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 26.0 m95 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.87 128.26 43.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.268 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.5 t -73.94 118.06 18.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.639 ' HD3' HG21 ' A' ' 61' ' ' VAL . 3.8 mtm-85 -126.22 152.54 45.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.443 1.089 . . . . 0.0 110.305 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.573 ' HB2' ' CE2' ' A' ' 23' ' ' TYR . 0.8 OUTLIER -86.75 103.93 15.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 110.324 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -97.11 136.28 37.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.968 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.731 ' O ' HD12 ' A' ' 48' ' ' LEU . 10.6 p -120.58 137.43 54.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.63 ' HG ' HD13 ' A' ' 48' ' ' LEU . 0.6 OUTLIER -113.46 113.64 25.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 109.277 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.441 ' NH1' ' O ' ' A' ' 14' ' ' LEU . 1.6 mtp180 -120.22 146.65 45.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 110.301 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.731 ' HD2' HG13 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -119.69 159.84 23.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.137 . . . . 0.0 109.334 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.451 ' HA ' ' HA ' ' A' ' 45' ' ' PRO . 1.1 m-20 37.95 80.01 0.29 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.496 ' HB2' ' CD1' ' A' ' 47' ' ' PHE . 18.2 Cg_endo -74.98 164.49 88.27 Favored 'Cis proline' 0 C--N 1.36 1.148 0 C-N-CA 120.987 -2.505 . . . . 0.0 110.968 0.011 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.443 ' HB1' ' HB3' ' A' ' 122' ' ' LEU . . . -89.48 97.87 11.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 109.316 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.496 ' CD1' ' HB2' ' A' ' 45' ' ' PRO . 28.3 m-85 -141.98 174.8 10.26 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 0.0 110.975 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.731 HD12 ' O ' ' A' ' 40' ' ' VAL . 10.1 tp -149.4 113.59 5.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.266 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.926 ' CG ' HD11 ' A' ' 14' ' ' LEU . 39.7 m80 -119.81 159.77 23.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.577 1.173 . . . . 0.0 109.601 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.434 ' O ' HG23 ' A' ' 61' ' ' VAL . 25.0 p90 -140.61 141.89 35.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.943 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.63 ' HA ' HG23 ' A' ' 61' ' ' VAL . 30.7 m-85 -114.3 156.38 24.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 110.998 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.564 ' N ' ' CG2' ' A' ' 61' ' ' VAL . 2.3 p30 -95.55 129.65 34.18 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.349 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.15 0 O-C-N 124.523 1.801 . . . . 0.0 110.969 -179.978 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.275 -0.268 . . . . 0.0 110.275 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.603 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 18.2 Cg_endo -74.98 174.67 12.38 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.507 1.793 . . . . 0.0 111.007 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.639 HG21 ' HD3' ' A' ' 37' ' ' ARG . 0.4 OUTLIER -86.33 -13.66 10.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.326 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.427 ' HA3' ' CZ ' ' A' ' 50' ' ' TYR . . . -170.85 -125.72 0.83 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.513 1.133 . . . . 0.0 110.976 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.528 ' HA3' ' CD2' ' A' ' 49' ' ' HIS . . . 120.12 130.59 3.99 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.676 ' CE2' HD23 ' A' ' 48' ' ' LEU . 8.8 p90 -133.15 148.15 52.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 0.787 . . . . 0.0 111.007 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 91.1 p -63.84 153.86 35.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.993 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.608 ' O ' HG22 ' A' ' 123' ' ' THR . 12.9 mt -108.66 -27.09 10.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.15 -54.59 1.75 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 110.307 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -107.32 44.79 1.41 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.485 1.116 . . . . 0.0 111.01 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.416 ' OG ' ' HA ' ' A' ' 66' ' ' LEU . 17.1 p -120.21 -177.99 3.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 0.77 . . . . 0.0 109.99 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 95' ' ' ILE . 29.5 tp -154.44 151.31 28.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.573 ' CG1' ' HG3' ' A' ' 120' ' ' LYS . 3.4 p -133.87 141.33 44.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.441 1.088 . . . . 0.0 109.309 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 18.6 m -150.7 160.35 43.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.986 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -98.34 158.02 15.83 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.103 . . . . 0.0 109.272 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.878 HD12 ' HB2' ' A' ' 91' ' ' LEU . 4.9 mt . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.251 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.878 ' HB2' HD12 ' A' ' 74' ' ' LEU . 1.2 mp . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.5 ' HB3' HD11 ' A' ' 116' ' ' ILE . 2.9 p90 -163.41 155.25 17.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 111.057 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.433 ' NZ ' HD11 ' A' ' 95' ' ' ILE . 0.4 OUTLIER -121.73 165.97 15.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 84.3 t -127.02 102.21 9.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.903 HG23 ' CD2' ' A' ' 101' ' ' HIS . 58.8 mt -88.21 116.22 29.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 14.4 p -88.22 -170.96 3.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 110.36 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.99 -14.56 62.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -97.48 16.15 21.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.26 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.614 ' C ' ' CD2' ' A' ' 101' ' ' HIS . 0.2 OUTLIER 43.49 31.56 0.44 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.35 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.441 HG21 ' CZ ' ' A' ' 102' ' ' TYR . 25.5 m -62.92 -55.82 22.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 110.392 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.903 ' CD2' HG23 ' A' ' 95' ' ' ILE . 4.6 m170 79.28 94.85 0.06 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.118 . . . . 0.0 109.594 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.441 ' CZ ' HG21 ' A' ' 100' ' ' THR . 60.1 m-85 -101.92 110.16 22.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 110.952 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -78.1 129.48 35.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.989 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.512 HG22 ' N ' ' A' ' 105' ' ' GLN . 57.2 mt -137.15 166.91 24.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.333 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.726 ' OE1' HD23 ' A' ' 91' ' ' LEU . 8.2 tp60 -128.87 151.53 49.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.318 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.624 ' HB1' ' HB3' ' A' ' 111' ' ' GLU . . . -107.0 163.17 13.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.261 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 34.5 t -65.41 -44.02 88.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.022 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -138.65 169.91 16.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.953 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.31 -38.9 66.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -70.73 -52.6 19.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.289 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.624 ' HB3' ' HB1' ' A' ' 106' ' ' ALA . 0.6 OUTLIER -42.05 -38.14 1.57 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 110.305 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.463 ' HG2' HD12 ' A' ' 116' ' ' ILE . 0.0 OUTLIER -64.32 -69.37 0.29 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 110.276 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 112' ' ' ARG . . . -38.93 -45.57 1.2 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 109.328 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -61.67 -57.48 11.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 110.312 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' TRP . . . . . 0.565 ' CD2' ' HG2' ' A' ' 20' ' ' LYS . 48.6 m95 -54.35 -33.51 59.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 107.954 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.5 HD11 ' HB3' ' A' ' 92' ' ' PHE . 62.4 mt -74.14 -76.37 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 116' ' ' ILE . 2.9 tt0 -34.96 -42.43 0.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.261 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.51 ' HB1' HD13 ' A' ' 41' ' ' LEU . . . -56.4 -66.41 0.44 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.418 ' O ' ' C ' ' A' ' 120' ' ' LYS . 80.0 mt -40.79 -59.98 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.573 ' HG3' ' CG1' ' A' ' 71' ' ' VAL . 0.2 OUTLIER -39.37 -51.37 2.08 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.261 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 12.4 mttt -45.77 -60.05 2.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.336 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.508 HD23 HD13 ' A' ' 66' ' ' LEU . 0.3 OUTLIER -48.36 -56.88 6.97 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 123' ' ' THR . . . . . 0.608 HG22 ' O ' ' A' ' 66' ' ' LEU . 17.8 p . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.382 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.711 HG13 ' H ' ' A' ' 13' ' ' GLU . 2.7 p . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.711 ' H ' HG13 ' A' ' 12' ' ' VAL . 76.8 mt-10 -57.2 -48.7 78.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 110.267 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.528 HD22 ' H ' ' A' ' 14' ' ' LEU . 0.7 OUTLIER -82.51 3.79 26.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.337 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -104.62 69.15 0.88 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 110.015 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -141.14 157.81 26.15 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.473 1.108 . . . . 0.0 111.015 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.3 m -68.02 115.8 7.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 0.774 . . . . 0.0 110.383 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.44 HG13 ' HG3' ' A' ' 21' ' ' GLN . 2.2 t -53.44 124.37 5.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.701 HG13 ' HE2' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -110.14 -30.48 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.349 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.544 ' HG2' ' CD2' ' A' ' 115' ' ' TRP . 3.3 tptt -154.87 143.48 20.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.772 ' NE2' HG23 ' A' ' 40' ' ' VAL . 10.9 mt-30 -146.72 149.85 34.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 0.0 110.316 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 160.17 -174.26 36.9 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.517 1.136 . . . . 0.0 111.036 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.563 ' CE2' ' HB2' ' A' ' 38' ' ' ARG . 76.9 m-85 -112.59 120.65 42.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 0.8 . . . . 0.0 111.013 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.774 HD22 ' O ' ' A' ' 105' ' ' GLN . 26.0 mt -115.43 167.63 10.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -113.66 105.67 13.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 18.3 tttt -85.36 130.69 34.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.511 ' HB2' ' CE2' ' A' ' 34' ' ' TRP . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.133 . . . . 0.0 110.294 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.511 ' CE2' ' HB2' ' A' ' 27' ' ' GLN . 64.7 m95 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.28 122.5 28.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.3 t -60.64 136.69 24.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.562 1.164 . . . . 0.0 109.29 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.34 147.5 31.4 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 110.289 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.563 ' HB2' ' CE2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -80.76 102.89 10.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 0.0 110.263 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.489 ' CD1' ' HB2' ' A' ' 24' ' ' LEU . 15.7 m-85 -96.86 131.66 43.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.105 . . . . 0.0 111.018 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.869 ' O ' HD12 ' A' ' 48' ' ' LEU . 14.0 p -117.21 143.26 28.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.807 ' HG ' HD13 ' A' ' 48' ' ' LEU . 0.7 OUTLIER -117.63 144.6 45.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 76.9 mtt85 -139.76 164.48 29.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 0.0 110.305 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.701 ' HE2' HG13 ' A' ' 19' ' ' VAL . 3.0 pttt -141.35 143.18 33.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.459 ' N ' ' C ' ' A' ' 45' ' ' PRO . 8.7 t70 43.52 79.33 0.34 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.459 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.2 Cg_endo -74.96 169.79 73.57 Favored 'Cis proline' 0 C--N 1.36 1.165 0 C-N-CA 121.014 -2.494 . . . . 0.0 110.963 -0.037 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.454 ' HB1' ' HB3' ' A' ' 122' ' ' LEU . . . -97.9 108.5 21.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 0.0 109.309 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.517 ' CZ ' ' HG2' ' A' ' 13' ' ' GLU . 19.8 m-85 -150.06 167.91 25.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 111.022 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.869 HD12 ' O ' ' A' ' 40' ' ' VAL . 7.5 tp -148.91 113.66 5.38 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.636 ' O ' HG12 ' A' ' 40' ' ' VAL . 51.8 m-70 -121.02 159.59 25.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.092 . . . . 0.0 109.624 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.459 ' HB3' ' CD2' ' A' ' 39' ' ' PHE . 32.0 p90 -142.78 142.82 31.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 110.987 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.941 ' HA ' HG23 ' A' ' 61' ' ' VAL . 16.4 m-85 -118.0 156.27 28.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.133 . . . . 0.0 110.985 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -85.68 122.99 73.09 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.213 0 O-C-N 124.428 1.752 . . . . 0.0 111.011 179.972 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.623 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 18.5 Cg_endo -74.95 167.5 26.91 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.543 1.812 . . . . 0.0 111.02 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.941 HG23 ' HA ' ' A' ' 51' ' ' TYR . 4.9 t -84.39 -30.89 7.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -155.8 -117.42 0.57 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.484 1.115 . . . . 0.0 110.984 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 100.95 129.17 6.6 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.756 ' CZ ' HD23 ' A' ' 48' ' ' LEU . 9.8 p90 -122.18 149.52 43.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 0.779 . . . . 0.0 111.017 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 11.0 p -74.47 131.39 40.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.018 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 68' ' ' GLY . 80.2 mt -71.11 -44.7 65.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 109.263 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 11.8 mmt180 -40.28 95.93 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.545 1.153 . . . . 0.0 110.272 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 66' ' ' LEU . . . 96.2 38.3 4.6 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.462 1.101 . . . . 0.0 110.998 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 66' ' ' LEU . 8.8 m -122.91 -179.18 4.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.437 0.728 . . . . 0.0 109.95 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.996 HD13 ' N ' ' A' ' 71' ' ' VAL . 3.0 tm? -156.24 157.14 35.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.324 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.996 ' N ' HD13 ' A' ' 70' ' ' LEU . 3.0 p -142.07 141.57 28.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.1 m -148.74 163.52 37.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.985 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -95.85 153.81 17.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 109.329 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.841 HD12 ' HB2' ' A' ' 91' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.841 ' HB2' HD12 ' A' ' 74' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.667 ' HB3' HD11 ' A' ' 116' ' ' ILE . 36.9 p90 -147.37 177.28 9.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 110.975 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.42 ' HG2' ' CD2' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -143.28 163.94 31.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 55.2 t -122.0 118.22 54.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.137 . . . . 0.0 109.293 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.451 ' N ' ' O ' ' A' ' 70' ' ' LEU . 61.1 mt -99.94 101.13 11.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 18.0 p -73.55 -168.72 0.59 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.389 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.48 -9.8 58.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.335 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -101.88 13.78 33.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.269 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.441 ' HB3' ' HE1' ' A' ' 101' ' ' HIS . 5.5 m-20 42.8 43.11 3.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 16.2 m -73.58 -52.62 12.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.377 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.441 ' HE1' ' HB3' ' A' ' 99' ' ' ASP . 0.6 OUTLIER 79.68 83.71 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.559 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -89.86 112.49 23.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.982 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 -79.11 118.81 21.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.997 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.435 HG22 ' N ' ' A' ' 105' ' ' GLN . 70.2 mt -125.22 162.24 28.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 109.271 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.774 ' O ' HD22 ' A' ' 24' ' ' LEU . 25.8 tt0 -120.15 155.07 33.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 110.336 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.471 ' HA ' HD22 ' A' ' 24' ' ' LEU . . . -111.26 154.04 25.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.252 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.7 t -67.23 -52.25 43.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.45 1.093 . . . . 0.0 109.993 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.16 168.44 17.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.017 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -47.76 -55.53 9.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -54.79 -54.91 35.96 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.498 ' HG3' ' CD1' ' A' ' 115' ' ' TRP . 0.8 OUTLIER -43.44 -37.9 2.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 110.333 179.94 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.453 ' HA ' ' HB2' ' A' ' 106' ' ' ALA . 0.0 OUTLIER -56.46 -73.08 0.07 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 110.299 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.491 ' O ' ' N ' ' A' ' 117' ' ' GLU . . . -48.45 -48.96 37.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.441 ' OE1' ' NZ ' ' A' ' 20' ' ' LYS . 3.0 mt-10 -47.22 -67.39 0.28 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 110.307 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' TRP . . . . . 0.544 ' CD2' ' HG2' ' A' ' 20' ' ' LYS . 72.6 m95 -49.22 -45.51 44.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 107.999 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.667 HD11 ' HB3' ' A' ' 92' ' ' PHE . 14.2 mt -57.65 -78.42 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 113' ' ' ALA . 0.8 OUTLIER -38.32 -45.98 1.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 110.283 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.401 ' HB1' HD13 ' A' ' 41' ' ' LEU . . . -48.55 -54.26 15.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.602 ' O ' HG23 ' A' ' 123' ' ' THR . 6.1 mt -53.89 -54.7 18.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.751 ' HD2' HG13 ' A' ' 71' ' ' VAL . 0.0 OUTLIER -51.68 -51.36 56.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.338 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 21.5 mttt -40.31 -60.29 1.12 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.328 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.454 ' HB3' ' HB1' ' A' ' 46' ' ' ALA . 0.7 OUTLIER -52.13 -55.38 21.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 109.317 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 123' ' ' THR . . . . . 0.602 HG23 ' O ' ' A' ' 119' ' ' ILE . 24.2 p . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.392 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.735 HG13 ' H ' ' A' ' 13' ' ' GLU . 2.4 p . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.735 ' H ' HG13 ' A' ' 12' ' ' VAL . 73.2 mt-10 -57.01 -47.44 80.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 110.326 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.525 HD23 ' CD2' ' A' ' 49' ' ' HIS . 0.7 OUTLIER -82.03 -11.24 58.92 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -84.75 49.29 1.68 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.554 1.159 . . . . 0.0 110.026 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -121.71 156.3 16.58 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.499 1.124 . . . . 0.0 110.94 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.3 m -69.24 125.02 25.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 0.761 . . . . 0.0 110.418 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.538 HG13 ' HG3' ' A' ' 21' ' ' GLN . 2.3 t -61.12 121.91 10.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.638 HG13 ' HE2' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -110.31 -31.74 2.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.528 ' HG2' ' CE3' ' A' ' 115' ' ' TRP . 3.1 tptt -151.23 140.47 21.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.359 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.538 ' HG3' HG13 ' A' ' 18' ' ' VAL . 24.4 mt-30 -145.3 151.37 38.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.299 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 157.03 -169.44 34.17 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.523 1.139 . . . . 0.0 110.996 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.483 ' O ' HD23 ' A' ' 24' ' ' LEU . 79.9 m-85 -112.22 134.2 53.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 0.787 . . . . 0.0 111.009 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.597 HD11 ' CD2' ' A' ' 115' ' ' TRP . 25.6 mt -134.63 167.52 20.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.133 . . . . 0.0 109.271 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.502 ' HB3' ' HB3' ' A' ' 105' ' ' GLN . . . -109.07 138.38 45.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.345 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 13.0 tttt -107.59 106.76 17.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.095 . . . . 0.0 109.318 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.508 ' HA ' ' CG ' ' A' ' 34' ' ' TRP . 14.1 tt0 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.277 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.614 ' N ' ' CD1' ' A' ' 34' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.421 ' O ' ' HA ' ' A' ' 25' ' ' ALA . 0.5 OUTLIER -104.4 161.47 14.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.113 . . . . 0.0 109.337 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.0 t -100.16 142.64 15.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.467 1.104 . . . . 0.0 109.268 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -143.77 155.34 44.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.313 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.42 ' O ' ' HA ' ' A' ' 50' ' ' TYR . 10.9 ttp85 -84.38 105.03 14.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 110.246 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.526 ' CD1' ' HB2' ' A' ' 24' ' ' LEU . 25.6 m-85 -97.14 136.56 37.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 111.016 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.886 ' O ' HD12 ' A' ' 48' ' ' LEU . 11.8 p -121.6 139.52 48.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.698 ' HG ' HD13 ' A' ' 48' ' ' LEU . 0.3 OUTLIER -114.44 134.89 54.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.447 ' NH1' ' O ' ' A' ' 14' ' ' LEU . 88.8 mtt-85 -132.2 161.51 33.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.318 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.638 ' HE2' HG13 ' A' ' 19' ' ' VAL . 2.7 pttt -136.79 141.09 42.92 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.475 ' N ' ' O ' ' A' ' 45' ' ' PRO . 2.4 m-20 49.42 80.02 0.32 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.491 ' CG ' ' O ' ' A' ' 12' ' ' VAL . 18.2 Cg_endo -74.98 174.23 53.75 Favored 'Cis proline' 0 C--N 1.36 1.144 0 C-N-CA 121.012 -2.495 . . . . 0.0 110.978 -0.029 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.984 ' HB1' ' HB3' ' A' ' 122' ' ' LEU . . . -99.9 105.97 17.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.081 . . . . 0.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.431 ' CZ ' ' HG2' ' A' ' 13' ' ' GLU . 37.3 m-85 -150.42 168.89 22.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 110.999 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.886 HD12 ' O ' ' A' ' 40' ' ' VAL . 12.9 tp -143.7 114.43 7.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 109.305 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.525 ' CD2' HD23 ' A' ' 14' ' ' LEU . 41.5 m-70 -116.24 164.19 14.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 109.547 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.42 ' HA ' ' O ' ' A' ' 38' ' ' ARG . 38.5 p90 -148.03 144.52 27.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 111.016 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.919 ' HA ' HG23 ' A' ' 61' ' ' VAL . 8.5 m-85 -118.65 155.38 31.1 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 110.984 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -83.61 120.67 75.69 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 109.298 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.161 0 O-C-N 124.505 1.792 . . . . 0.0 110.96 -179.975 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.313 -0.254 . . . . 0.0 110.313 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.62 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 18.1 Cg_endo -74.99 169.16 23.24 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.511 1.795 . . . . 0.0 110.968 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.919 HG23 ' HA ' ' A' ' 51' ' ' TYR . 4.5 t -89.45 -30.63 5.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.128 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -154.58 -116.34 0.58 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.458 1.099 . . . . 0.0 111.015 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 107.02 131.51 6.73 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.832 ' CZ ' HD23 ' A' ' 48' ' ' LEU . 1.4 p90 -126.44 156.5 40.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 0.768 . . . . 0.0 110.991 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.3 t -69.46 150.09 47.58 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.501 1.126 . . . . 0.0 110.006 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.725 ' O ' HG22 ' A' ' 123' ' ' THR . 77.8 mt -104.38 -37.64 7.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 66' ' ' LEU . 1.1 mmt180 -37.63 -57.24 0.98 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 110.263 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -101.77 50.67 0.96 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.512 1.133 . . . . 0.0 111.0 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 24.3 p -130.52 -178.24 4.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 0.765 . . . . 0.0 110.013 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 1.032 HD13 ' N ' ' A' ' 71' ' ' VAL . 3.1 tm? -152.69 153.37 33.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.345 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 1.032 ' N ' HD13 ' A' ' 70' ' ' LEU . 7.3 p -138.85 140.19 39.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.7 p -144.65 171.56 14.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 110.02 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -111.66 156.27 22.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.554 HD12 ' HB2' ' A' ' 91' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.554 ' HB2' HD12 ' A' ' 74' ' ' LEU . 4.7 mt . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.573 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 32.0 p90 -164.54 151.99 11.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 111.007 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.74 ' NZ ' HD11 ' A' ' 95' ' ' ILE . 0.0 OUTLIER -109.8 160.7 16.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.497 HG13 ' O ' ' A' ' 70' ' ' LEU . 96.2 t -135.6 105.28 5.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.74 HD11 ' NZ ' ' A' ' 93' ' ' LYS . 11.9 mt -86.9 116.29 29.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 31.5 p -92.45 172.99 8.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.428 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -56.93 -17.33 9.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.66 19.12 3.56 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 47.21 33.48 2.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 66.8 m -104.2 118.82 37.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.566 1.166 . . . . 0.0 110.368 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -85.85 100.61 12.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.613 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -90.91 100.1 13.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 110.962 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -74.71 114.3 12.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 111.03 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.573 ' HB ' ' CZ ' ' A' ' 92' ' ' PHE . 61.8 mt -111.67 160.01 11.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.502 ' HB3' ' HB3' ' A' ' 25' ' ' ALA . 11.8 tt0 -113.58 141.46 47.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.328 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.429 ' HB1' ' HB3' ' A' ' 111' ' ' GLU . . . -105.39 148.8 26.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.56 -45.91 84.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 109.988 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.7 -176.5 4.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 109.992 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 8.8 tmtt? -64.06 -36.78 85.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 111' ' ' GLU . . . -74.2 -53.91 8.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.564 1.165 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.429 ' HB3' ' HB1' ' A' ' 106' ' ' ALA . 0.7 OUTLIER -38.09 -41.12 0.55 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 110.319 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.417 ' HB2' ' CB ' ' A' ' 106' ' ' ALA . 9.8 ttp180 -64.82 -68.9 0.32 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.317 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 112' ' ' ARG . . . -40.31 -40.35 1.14 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 42.2 mm-40 -68.2 -58.85 3.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.278 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' TRP . . . . . 0.597 ' CD2' HD11 ' A' ' 24' ' ' LEU . 52.3 m95 -53.35 -24.34 11.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 107.978 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.457 HG22 ' CE ' ' A' ' 120' ' ' LYS . 39.1 mt -81.63 -77.01 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 116' ' ' ILE . 2.1 tt0 -35.69 -40.82 0.19 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 110.264 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.428 ' O ' ' N ' ' A' ' 121' ' ' LYS . . . -56.51 -68.1 0.24 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.553 HD12 ' O ' ' A' ' 115' ' ' TRP . 27.0 mt -40.81 -59.72 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.659 ' HD2' HG13 ' A' ' 71' ' ' VAL . 0.0 OUTLIER -38.75 -41.73 0.74 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 109.256 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.428 ' N ' ' O ' ' A' ' 118' ' ' ALA . 15.0 mttt -58.84 -58.43 8.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 109.343 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.984 ' HB3' ' HB1' ' A' ' 46' ' ' ALA . 0.3 OUTLIER -51.15 -57.11 9.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.245 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 123' ' ' THR . . . . . 0.725 HG22 ' O ' ' A' ' 66' ' ' LEU . 18.4 p . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 110.383 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.737 HG13 ' H ' ' A' ' 13' ' ' GLU . 2.5 p . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.737 ' H ' HG13 ' A' ' 12' ' ' VAL . 40.5 mt-10 -58.62 -46.71 86.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.308 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.579 HD21 ' CG ' ' A' ' 49' ' ' HIS . 0.5 OUTLIER -87.6 5.05 41.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.419 ' HB2' ' CA ' ' A' ' 12' ' ' VAL . 0.1 OUTLIER -90.66 -14.22 32.71 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.501 1.126 . . . . 0.0 109.966 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -57.6 155.87 18.22 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.522 1.139 . . . . 0.0 110.975 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.9 m -68.19 126.24 28.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 0.778 . . . . 0.0 110.423 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.497 HG13 ' HG3' ' A' ' 21' ' ' GLN . 2.2 t -60.9 121.24 8.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 109.302 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.518 HG13 ' HE2' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -110.81 -31.11 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.52 ' HG2' ' CD2' ' A' ' 115' ' ' TRP . 4.4 tptt -151.56 143.1 23.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 109.334 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.502 ' HG2' HG23 ' A' ' 40' ' ' VAL . 27.3 mt-30 -150.98 153.57 35.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 110.301 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 156.54 -158.18 28.52 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.53 1.144 . . . . 0.0 111.014 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.465 ' CE2' ' HB2' ' A' ' 38' ' ' ARG . 31.4 m-85 -122.89 124.87 44.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 0.783 . . . . 0.0 110.995 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.656 HD21 ' CD1' ' A' ' 115' ' ' TRP . 26.7 mt -116.83 169.09 9.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.903 ' HB3' ' HB3' ' A' ' 105' ' ' GLN . . . -114.86 109.88 18.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.1 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 73.3 tttt -96.63 110.51 22.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.267 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.282 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 39.7 m95 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.82 133.93 55.5 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.431 ' O ' ' NH1' ' A' ' 37' ' ' ARG . 2.1 t -69.95 143.56 14.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.448 ' HB2' ' NH1' ' A' ' 37' ' ' ARG . 0.2 OUTLIER -146.64 133.93 20.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.275 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.465 ' HB2' ' CE2' ' A' ' 23' ' ' TYR . 10.8 ttp180 -75.25 103.94 5.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 110.311 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.465 ' CD1' ' HB2' ' A' ' 24' ' ' LEU . 12.9 m-85 -96.71 150.87 20.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.729 ' O ' HD12 ' A' ' 48' ' ' LEU . 14.6 p -135.95 132.78 50.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.342 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.701 ' HG ' HD13 ' A' ' 48' ' ' LEU . 0.5 OUTLIER -109.92 141.89 42.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.33 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.43 ' CD ' ' HA ' ' A' ' 14' ' ' LEU . 3.2 mtt85 -139.86 166.63 24.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.314 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.518 ' HE2' HG13 ' A' ' 19' ' ' VAL . 0.9 OUTLIER -132.81 145.35 50.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.464 1.102 . . . . 0.0 109.31 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.431 ' HA ' ' HA ' ' A' ' 45' ' ' PRO . 1.9 t0 49.99 97.48 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.675 ' O ' ' HB3' ' A' ' 46' ' ' ALA . 18.3 Cg_endo -74.98 -3.97 19.97 Favored 'Cis proline' 0 C--N 1.361 1.197 0 C-N-CA 121.005 -2.498 . . . . 0.0 111.011 -0.003 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.893 ' HB1' ' HG ' ' A' ' 122' ' ' LEU . . . 82.7 122.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.586 ' CE1' ' OE1' ' A' ' 13' ' ' GLU . 4.5 m-85 -159.98 156.36 26.96 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.479 1.112 . . . . 0.0 110.969 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.729 HD12 ' O ' ' A' ' 40' ' ' VAL . 55.7 tp -124.65 113.7 18.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.147 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.579 ' CG ' HD21 ' A' ' 14' ' ' LEU . 35.1 m-70 -123.21 157.02 33.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.633 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.599 ' C ' ' CD1' ' A' ' 51' ' ' TYR . 13.7 p90 -133.08 176.57 8.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 110.978 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.885 ' HA ' HG23 ' A' ' 61' ' ' VAL . 26.8 m-85 -151.49 147.41 26.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 111.015 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -84.69 115.63 61.6 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.121 0 O-C-N 124.537 1.809 . . . . 0.0 110.971 179.995 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.347 -0.242 . . . . 0.0 110.347 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.597 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 18.4 Cg_endo -74.99 159.78 40.98 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.476 1.777 . . . . 0.0 111.012 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.885 HG23 ' HA ' ' A' ' 51' ' ' TYR . 3.5 t -68.25 -32.49 56.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -165.73 -134.48 1.68 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.502 1.126 . . . . 0.0 111.038 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 137.06 141.07 4.19 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.486 ' CD1' ' N ' ' A' ' 64' ' ' PHE . 2.9 p90 -133.33 155.76 48.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 0.753 . . . . 0.0 111.006 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 98.4 p -70.59 160.81 31.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.568 1.168 . . . . 0.0 110.029 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.858 HD13 HD23 ' A' ' 122' ' ' LEU . 69.7 mt -112.51 -37.16 5.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -37.37 -60.73 0.65 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 110.279 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -96.28 55.85 1.49 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.476 1.11 . . . . 0.0 110.991 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.0 m -143.12 -173.85 4.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 0.755 . . . . 0.0 110.026 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.681 ' O ' HG13 ' A' ' 94' ' ' VAL . 0.8 OUTLIER -152.48 168.46 25.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.267 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.486 ' CG1' ' HG2' ' A' ' 120' ' ' LYS . 10.2 p -152.98 145.03 15.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.2 m -157.78 165.84 34.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 110.06 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -89.44 161.83 16.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.561 HD21 ' HB3' ' A' ' 93' ' ' LYS . 6.5 mt . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.333 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.5 mt . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.455 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 20.6 p90 -172.98 156.24 3.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 110.983 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.627 ' NZ ' HD11 ' A' ' 95' ' ' ILE . 0.0 OUTLIER -120.94 162.22 20.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.681 HG13 ' O ' ' A' ' 70' ' ' LEU . 52.4 t -131.05 108.29 14.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.627 HD11 ' NZ ' ' A' ' 93' ' ' LYS . 14.0 mt -86.36 112.13 22.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 33.8 p -86.2 -179.56 6.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 110.427 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.1 -13.81 40.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -95.6 8.98 41.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 15.8 t70 62.29 21.57 12.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.311 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 87.3 m -84.47 123.17 29.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 110.438 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -93.53 108.51 20.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 109.585 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -94.54 102.43 14.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 110.984 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 54.7 m-85 -75.72 116.61 16.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 111.03 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.465 HG22 ' N ' ' A' ' 105' ' ' GLN . 64.7 mt -127.66 164.16 29.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.903 ' HB3' ' HB3' ' A' ' 25' ' ' ALA . 26.4 tt0 -121.5 144.73 48.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.272 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.406 ' HA ' HD22 ' A' ' 24' ' ' LEU . . . -99.99 154.87 18.04 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.444 1.09 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.3 t -58.93 -52.23 66.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.987 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.66 179.22 5.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 109.947 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? -61.45 -42.9 99.48 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -68.43 -51.6 42.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.452 ' HG3' ' CD1' ' A' ' 115' ' ' TRP . 1.0 OUTLIER -42.55 -38.38 1.95 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.296 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.407 ' HG2' ' CD1' ' A' ' 116' ' ' ILE . 35.2 ttp180 -62.69 -70.22 0.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.309 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -44.91 -37.07 3.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 109.29 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -69.04 -54.26 16.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.312 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' TRP . . . . . 0.694 ' O ' HD12 ' A' ' 119' ' ' ILE . 46.8 m95 -57.37 -27.43 62.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 107.993 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.417 ' O ' ' C ' ' A' ' 117' ' ' GLU . 83.1 mt -78.28 -76.35 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 109.263 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 116' ' ' ILE . 2.5 tt0 -36.38 -41.19 0.27 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.453 1.096 . . . . 0.0 110.267 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.453 ' HB1' HD13 ' A' ' 41' ' ' LEU . . . -57.13 -60.28 3.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.694 HD12 ' O ' ' A' ' 115' ' ' TRP . 17.7 mt -53.51 -45.25 58.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.486 ' HG2' ' CG1' ' A' ' 71' ' ' VAL . 29.4 mttt -46.28 -52.37 12.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 15.6 mttt -47.98 -60.23 2.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 109.276 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.893 ' HG ' ' HB1' ' A' ' 46' ' ' ALA . 0.1 OUTLIER -47.68 -56.22 7.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 109.289 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 123' ' ' THR . . . . . 0.591 HG23 ' O ' ' A' ' 119' ' ' ILE . 19.3 p . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 110.438 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.727 HG13 ' H ' ' A' ' 13' ' ' GLU . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.727 ' H ' HG13 ' A' ' 12' ' ' VAL . 5.8 mt-10 -65.0 -37.26 87.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 110.288 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.771 HD11 ' CG ' ' A' ' 49' ' ' HIS . 2.5 mm? -82.59 4.82 23.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.4 t -96.85 59.45 1.71 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.972 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -132.35 153.9 20.8 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.482 1.114 . . . . 0.0 110.958 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.6 m -67.43 123.29 19.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 0.779 . . . . 0.0 110.39 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.484 HG13 ' HG3' ' A' ' 21' ' ' GLN . 2.1 t -63.17 123.78 16.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.415 HG13 ' HG2' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -112.9 -33.8 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.523 ' HG2' ' CD2' ' A' ' 115' ' ' TRP . 2.4 tptt -145.81 139.9 26.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.81 ' NE2' HG23 ' A' ' 40' ' ' VAL . 4.9 mt-30 -145.62 148.99 33.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 110.276 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 160.73 -175.15 37.45 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.533 1.146 . . . . 0.0 110.996 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.515 ' CE2' ' HB2' ' A' ' 38' ' ' ARG . 66.7 m-85 -109.69 127.57 54.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 0.755 . . . . 0.0 111.011 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.579 HD22 ' O ' ' A' ' 105' ' ' GLN . 20.2 mt -127.13 169.77 13.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.266 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.413 ' HB3' ' CB ' ' A' ' 105' ' ' GLN . . . -106.74 151.04 25.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.32 103.38 9.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.297 -179.984 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.603 ' N ' ' CD1' ' A' ' 34' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.0 mttt -93.54 157.36 16.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.349 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.4 t -95.64 146.61 6.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 28.9 mmt85 -146.42 158.81 43.94 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.111 . . . . 0.0 110.29 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.515 ' HB2' ' CE2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -91.66 104.56 17.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.28 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.485 ' CD1' ' HB2' ' A' ' 24' ' ' LEU . 23.1 m-85 -97.21 132.51 42.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 111.003 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.879 HG12 ' O ' ' A' ' 49' ' ' HIS . 14.5 p -116.27 139.4 43.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.707 ' HG ' HD13 ' A' ' 48' ' ' LEU . 0.4 OUTLIER -113.45 124.57 52.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 109.305 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 31.9 mtt85 -124.72 157.27 36.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 110.31 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.437 ' CB ' HD11 ' A' ' 122' ' ' LEU . 0.6 OUTLIER -134.5 148.69 50.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.147 . . . . 0.0 109.316 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.469 ' HA ' ' HA ' ' A' ' 45' ' ' PRO . 0.5 OUTLIER 42.87 83.15 0.21 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.425 1.078 . . . . 0.0 109.281 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.469 ' HA ' ' HA ' ' A' ' 44' ' ' ASP . 18.3 Cg_endo -74.96 176.53 43.0 Favored 'Cis proline' 0 C--N 1.36 1.17 0 C-N-CA 121.004 -2.498 . . . . 0.0 110.987 -0.031 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.71 ' HB2' HD12 ' A' ' 122' ' ' LEU . . . -95.37 109.48 21.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.601 ' CE2' ' CD ' ' A' ' 13' ' ' GLU . 27.3 m-85 -160.2 148.49 16.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 110.987 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.865 HD12 ' O ' ' A' ' 40' ' ' VAL . 3.0 tp -129.74 113.49 14.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.879 ' O ' HG12 ' A' ' 40' ' ' VAL . 67.4 m80 -119.22 161.2 20.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.635 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.579 ' O ' HG23 ' A' ' 61' ' ' VAL . 6.5 p90 -145.06 151.73 38.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 111.023 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.599 ' HA ' HG23 ' A' ' 61' ' ' VAL . 15.8 m-85 -123.79 143.47 50.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 111.015 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -76.89 125.63 86.74 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.148 0 O-C-N 124.516 1.798 . . . . 0.0 110.98 -179.987 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.294 -0.261 . . . . 0.0 110.294 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.577 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 18.3 Cg_endo -75.03 167.96 25.87 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.516 1.798 . . . . 0.0 111.033 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.599 HG23 ' HA ' ' A' ' 51' ' ' TYR . 2.6 t -69.89 -30.34 43.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 139.76 73.48 0.05 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.507 1.129 . . . . 0.0 111.015 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -64.03 -179.81 6.36 Favored Glycine 0 CA--C 1.531 1.069 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.701 ' CZ ' HD23 ' A' ' 48' ' ' LEU . 1.9 p90 -134.05 163.65 29.1 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.58 0.812 . . . . 0.0 110.999 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 30.4 p -72.76 158.46 35.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.032 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.406 ' O ' ' C ' ' A' ' 67' ' ' ARG . 94.1 mt -109.33 -42.5 4.35 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.115 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -38.01 -58.24 0.96 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.286 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -98.34 55.64 1.08 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.48 1.112 . . . . 0.0 111.014 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 25.0 m -145.61 177.41 8.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 0.762 . . . . 0.0 110.006 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.683 HD23 HD12 ' A' ' 95' ' ' ILE . 15.3 tp -154.48 155.17 34.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 109.286 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.703 HG13 ' HD2' ' A' ' 120' ' ' LYS . 7.1 p -132.6 149.84 32.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 13.2 m -161.7 160.62 28.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.978 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -97.76 159.42 14.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 109.349 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.515 ' N ' HD23 ' A' ' 91' ' ' LEU . 3.5 mt . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.574 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 24.8 p90 -167.81 179.0 4.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.54 1.15 . . . . 0.0 110.993 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.748 ' NZ ' HD11 ' A' ' 95' ' ' ILE . 0.0 OUTLIER -139.8 164.99 28.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.438 1.086 . . . . 0.0 109.292 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.491 HG13 ' O ' ' A' ' 70' ' ' LEU . 71.4 t -134.1 113.61 18.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.114 . . . . 0.0 109.339 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.748 HD11 ' NZ ' ' A' ' 93' ' ' LYS . 12.4 mt -87.82 114.98 27.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.431 1.082 . . . . 0.0 109.281 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 24.8 p -85.66 -177.94 6.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.403 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.23 -13.8 59.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.271 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -93.53 8.82 39.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 50.0 t0 62.76 21.54 12.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.346 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 59.0 m -88.43 120.12 29.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.117 . . . . 0.0 110.373 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -87.39 105.54 17.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.57 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -92.87 100.88 13.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 111.006 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' TYR . . . . . 0.405 ' CD1' ' HB3' ' A' ' 93' ' ' LYS . 4.0 m-85 -74.84 122.73 23.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 110.971 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.574 ' HB ' ' CZ ' ' A' ' 92' ' ' PHE . 36.6 mt -119.49 164.04 16.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.579 ' O ' HD22 ' A' ' 24' ' ' LEU . 3.5 tt0 -113.63 139.05 49.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 110.315 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.478 ' CB ' ' HB2' ' A' ' 112' ' ' ARG . . . -106.21 145.8 31.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 109.329 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.4 t -55.88 -45.23 78.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.02 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -137.33 169.56 17.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.014 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -58.09 -24.59 59.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -85.4 -51.73 6.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.4 ' HB3' ' HB1' ' A' ' 106' ' ' ALA . 0.8 OUTLIER -39.44 -41.21 0.93 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.325 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.649 ' NE ' HD12 ' A' ' 116' ' ' ILE . 8.7 ttp180 -61.82 -66.8 0.48 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.453 1.095 . . . . 0.0 110.279 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -43.3 -34.25 1.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.289 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -72.41 -50.83 23.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 110.293 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' TRP . . . . . 0.71 ' O ' HD12 ' A' ' 119' ' ' ILE . 63.4 m95 -62.41 -25.05 67.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 108.051 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.649 HD12 ' NE ' ' A' ' 112' ' ' ARG . 43.7 mt -79.06 -76.96 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 116' ' ' ILE . 1.8 tt0 -36.11 -39.81 0.19 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 110.331 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.434 ' HB1' HD13 ' A' ' 41' ' ' LEU . . . -56.67 -69.71 0.14 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.71 HD12 ' O ' ' A' ' 115' ' ' TRP . 13.3 mt -40.49 -59.5 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.703 ' HD2' HG13 ' A' ' 71' ' ' VAL . 0.0 OUTLIER -38.71 -54.51 1.57 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 120' ' ' LYS . 14.5 mttt -38.92 -60.34 0.86 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.339 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.71 HD12 ' HB2' ' A' ' 46' ' ' ALA . 3.7 mm? -54.09 -55.25 29.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 123' ' ' THR . . . . . 0.519 HG23 ' O ' ' A' ' 119' ' ' ILE . 7.1 p . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.432 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.517 HG13 ' N ' ' A' ' 13' ' ' GLU . 6.0 p . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.517 ' N ' HG13 ' A' ' 12' ' ' VAL . 3.3 mp0 -59.46 -49.52 77.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.288 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.495 ' HA ' ' CD ' ' A' ' 42' ' ' ARG . 0.3 OUTLIER -82.64 2.13 34.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.285 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -93.17 25.11 3.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.435 1.084 . . . . 0.0 109.999 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -98.97 159.42 20.14 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.513 1.133 . . . . 0.0 111.0 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.8 m -75.98 126.93 31.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 0.759 . . . . 0.0 110.424 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.2 t -62.58 122.74 14.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 0.0 109.309 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.719 HG13 ' HE2' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -111.82 -31.5 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.336 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.513 ' HG2' ' CE3' ' A' ' 115' ' ' TRP . 2.7 tptt -152.55 143.59 23.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.543 ' NE2' ' O ' ' A' ' 21' ' ' GLN . 0.0 OUTLIER -156.41 167.22 31.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 110.29 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 150.61 -153.61 25.12 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.541 1.151 . . . . 0.0 111.002 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -124.43 114.77 19.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 0.777 . . . . 0.0 111.026 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.725 HD21 ' NE1' ' A' ' 115' ' ' TRP . 47.6 mt -107.45 168.17 9.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.756 ' HB3' ' HB3' ' A' ' 105' ' ' GLN . . . -114.84 115.27 26.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 109.344 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.465 ' HD3' ' CG1' ' A' ' 104' ' ' ILE . 0.0 OUTLIER -85.97 153.17 22.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.327 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.449 ' HG3' ' CE2' ' A' ' 34' ' ' TRP . 2.9 tt0 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.291 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.449 ' CE2' ' HG3' ' A' ' 27' ' ' GLN . 13.4 m95 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -138.74 124.57 19.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.268 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.6 t -74.35 117.29 18.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 109.277 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.5 ttp180 -122.86 157.54 32.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 110.313 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.2 ttp85 -91.69 113.11 25.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 110.267 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.452 ' CD1' ' HB2' ' A' ' 24' ' ' LEU . 24.9 m-85 -107.44 148.55 29.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 111.037 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.867 ' O ' HD12 ' A' ' 48' ' ' LEU . 9.5 p -132.59 136.18 56.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.331 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.649 ' HG ' HD13 ' A' ' 48' ' ' LEU . 0.4 OUTLIER -110.72 124.33 51.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.352 179.942 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.495 ' CD ' ' HA ' ' A' ' 14' ' ' LEU . 54.3 mtt-85 -117.3 163.11 16.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.273 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.719 ' HE2' HG13 ' A' ' 19' ' ' VAL . 1.1 pttt -140.98 140.24 34.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.479 ' N ' ' C ' ' A' ' 45' ' ' PRO . 10.5 t0 49.64 77.64 0.45 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.296 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.479 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.3 Cg_endo -75.04 171.39 68.35 Favored 'Cis proline' 0 C--N 1.361 1.192 0 C-N-CA 120.988 -2.505 . . . . 0.0 110.998 0.036 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.746 ' HB2' HD12 ' A' ' 122' ' ' LEU . . . -97.36 99.25 10.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -141.94 160.57 39.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 110.996 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.867 HD12 ' O ' ' A' ' 40' ' ' VAL . 21.1 tp -133.49 113.9 13.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.266 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.567 ' O ' HG12 ' A' ' 40' ' ' VAL . 40.3 m-70 -119.11 165.53 14.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.604 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.592 ' CE2' ' HB ' ' A' ' 61' ' ' VAL . 2.6 p90 -152.88 164.14 38.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 111.007 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.602 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 3.0 m-85 -139.56 139.11 36.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 110.976 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -74.65 125.34 89.72 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.165 0 O-C-N 124.521 1.8 . . . . 0.0 111.013 -179.982 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 8.9 mtp180 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.278 -0.267 . . . . 0.0 110.278 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.602 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 18.4 Cg_endo -74.95 163.98 34.32 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.437 1.756 . . . . 0.0 111.044 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.592 ' HB ' ' CE2' ' A' ' 50' ' ' TYR . 2.4 t -69.28 -32.13 52.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.573 1.171 . . . . 0.0 109.293 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 147.65 74.44 0.02 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.513 1.133 . . . . 0.0 110.97 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.524 ' HA3' ' CG ' ' A' ' 49' ' ' HIS . . . -59.93 167.03 9.42 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.656 ' CE2' HD23 ' A' ' 48' ' ' LEU . 1.3 p90 -133.75 159.5 40.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 0.763 . . . . 0.0 110.962 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 77.0 p -70.81 159.56 34.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.987 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.615 HD21 ' HB3' ' A' ' 48' ' ' LEU . 49.7 mt -114.2 -34.66 5.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.44 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -35.68 -65.83 0.23 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 110.311 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -95.15 51.54 1.89 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.485 1.115 . . . . 0.0 111.0 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.412 ' HA ' ' HA ' ' A' ' 96' ' ' THR . 73.2 m -130.82 -179.99 5.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 0.748 . . . . 0.0 109.995 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 1.035 HD13 ' N ' ' A' ' 71' ' ' VAL . 3.1 tm? -155.97 154.13 30.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 1.035 ' N ' HD13 ' A' ' 70' ' ' LEU . 6.6 p -139.25 140.36 37.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.097 . . . . 0.0 109.344 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.415 ' O ' ' HB2' ' A' ' 92' ' ' PHE . 6.9 p -141.13 170.11 16.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.977 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -113.07 135.63 53.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.267 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.988 HD12 ' HB2' ' A' ' 91' ' ' LEU . 1.2 mt . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.988 ' HB2' HD12 ' A' ' 74' ' ' LEU . 1.0 OUTLIER . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.565 ' HB3' HD11 ' A' ' 116' ' ' ILE . 15.0 p90 -161.29 154.07 20.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 111.039 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.491 ' HE2' ' CG1' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -119.08 163.62 16.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 60.8 t -124.43 101.01 8.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.563 HG23 ' HA ' ' A' ' 99' ' ' ASP . 78.7 mt -85.85 99.93 8.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.412 ' HA ' ' HA ' ' A' ' 69' ' ' SER . 2.1 p -76.16 -175.87 3.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.397 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.41 -28.77 67.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 99' ' ' ASP . 1.1 m-20 -87.84 11.66 15.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.703 ' HB3' ' HE1' ' A' ' 101' ' ' HIS . 42.7 m-20 40.15 44.37 1.52 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.105 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 3.4 m -70.8 -46.06 63.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 110.413 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.703 ' HE1' ' HB3' ' A' ' 99' ' ' ASP . 0.6 OUTLIER 78.34 89.14 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.601 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -99.54 106.85 18.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 110.979 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -73.86 128.83 36.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.985 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.481 ' CG2' ' N ' ' A' ' 105' ' ' GLN . 24.4 mt -137.38 163.91 30.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.756 ' HB3' ' HB3' ' A' ' 25' ' ' ALA . 28.7 tt0 -121.75 148.46 44.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.14 . . . . 0.0 110.259 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.574 ' HB1' ' HB3' ' A' ' 111' ' ' GLU . . . -100.69 149.26 23.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.54 -48.3 74.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.989 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 109' ' ' LYS . 0.2 OUTLIER -135.98 155.3 50.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.012 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 108' ' ' SER . 22.8 mtmt -40.42 -42.02 1.51 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.8 -57.38 8.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.574 ' HB3' ' HB1' ' A' ' 106' ' ' ALA . 0.2 OUTLIER -39.13 -39.78 0.63 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.105 . . . . 0.0 110.288 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.56 ' HE ' HD12 ' A' ' 116' ' ' ILE . 8.1 ttp-105 -57.88 -70.52 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.273 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.465 ' O ' ' N ' ' A' ' 117' ' ' GLU . . . -41.6 -50.82 4.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.496 ' O ' ' CB ' ' A' ' 118' ' ' ALA . 37.3 mm-40 -56.81 -58.34 8.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.331 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' TRP . . . . . 0.725 ' NE1' HD21 ' A' ' 24' ' ' LEU . 33.3 m95 -51.89 -40.65 61.01 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.565 HD11 ' HB3' ' A' ' 92' ' ' PHE . 49.6 mt -68.76 -78.37 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.569 1.168 . . . . 0.0 109.335 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' A' ' 113' ' ' ALA . 2.2 tt0 -38.17 -43.14 0.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.313 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.496 ' CB ' ' O ' ' A' ' 114' ' ' GLU . . . -55.04 -69.96 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 95.9 mt -44.96 -48.78 2.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.294 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.5 ' HG2' HG13 ' A' ' 71' ' ' VAL . 33.9 mttt -46.77 -49.31 19.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 16.9 mttt -45.69 -60.38 2.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.746 HD12 ' HB2' ' A' ' 46' ' ' ALA . 1.7 mm? -51.07 -55.08 19.39 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.12 . . . . 0.0 109.331 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 123' ' ' THR . . . . . 0.474 HG22 ' O ' ' A' ' 66' ' ' LEU . 46.3 p . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.419 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.648 HG13 ' H ' ' A' ' 13' ' ' GLU . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.648 ' H ' HG13 ' A' ' 12' ' ' VAL . 2.6 mt-10 -51.64 -41.18 61.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.3 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.447 HD21 ' CD2' ' A' ' 49' ' ' HIS . 0.8 OUTLIER -89.1 14.97 9.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.344 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.7 t -103.43 51.2 0.79 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.033 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -122.96 159.72 17.55 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.489 1.118 . . . . 0.0 111.068 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.1 m -75.06 117.1 16.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 0.762 . . . . 0.0 110.411 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.469 HG13 ' HG3' ' A' ' 21' ' ' GLN . 2.6 t -48.73 124.18 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.42 HG13 ' HE2' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -111.16 -28.38 2.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.525 ' HG2' ' CD2' ' A' ' 115' ' ' TRP . 3.3 tttt -159.69 141.01 12.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.883 ' NE2' HG23 ' A' ' 40' ' ' VAL . 8.0 mt-30 -145.35 149.59 35.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.339 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 160.63 -171.99 36.89 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.5 1.125 . . . . 0.0 110.983 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.537 ' CE2' ' HB2' ' A' ' 38' ' ' ARG . 54.1 m-85 -115.04 121.48 43.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 0.782 . . . . 0.0 111.017 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.543 HD21 ' CD1' ' A' ' 115' ' ' TRP . 14.6 mt -113.52 172.73 6.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.531 ' O ' ' CZ3' ' A' ' 34' ' ' TRP . . . -123.96 102.42 7.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -98.31 130.11 45.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.511 ' HB2' ' CE2' ' A' ' 34' ' ' TRP . 24.3 tt0 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 110.304 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.531 ' CZ3' ' O ' ' A' ' 25' ' ' ALA . 14.0 m95 . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.05 137.26 54.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.4 t -79.62 136.68 23.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 21.9 mmt85 -140.86 156.36 46.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 110.292 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.537 ' HB2' ' CE2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -89.48 103.67 16.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.327 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.533 ' CD1' ' HB2' ' A' ' 24' ' ' LEU . 26.3 m-85 -97.33 131.6 43.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 111.029 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.955 ' O ' HD12 ' A' ' 48' ' ' LEU . 10.7 p -117.71 138.92 46.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.774 ' HG ' HD13 ' A' ' 48' ' ' LEU . 0.6 OUTLIER -117.36 134.02 55.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.403 ' C ' ' CG2' ' A' ' 19' ' ' VAL . 24.5 mtt85 -134.06 167.96 19.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.302 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 45' ' ' PRO . 0.8 OUTLIER -139.06 148.1 42.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 -179.939 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 45' ' ' PRO . 0.8 OUTLIER 41.53 82.48 0.22 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.445 ' O ' ' N ' ' A' ' 44' ' ' ASP . 18.3 Cg_endo -75.03 174.64 51.67 Favored 'Cis proline' 0 C--N 1.36 1.14 0 C-N-CA 121.015 -2.494 . . . . 0.0 111.003 0.025 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.962 ' HB1' ' HB3' ' A' ' 122' ' ' LEU . . . -99.72 103.53 15.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.328 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.53 ' CE2' ' CD ' ' A' ' 13' ' ' GLU . 7.9 m-85 -154.11 147.82 25.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 110.949 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.955 HD12 ' O ' ' A' ' 40' ' ' VAL . 8.2 tp -123.4 113.66 19.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.704 ' O ' HG12 ' A' ' 40' ' ' VAL . 69.4 m80 -114.5 163.9 14.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.608 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.568 ' CE2' ' HB ' ' A' ' 61' ' ' VAL . 8.1 p90 -148.36 152.39 36.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 111.007 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.67 ' HA ' HG23 ' A' ' 61' ' ' VAL . 9.6 m-85 -125.18 144.35 50.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 111.005 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -81.91 122.95 80.41 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.166 0 O-C-N 124.506 1.793 . . . . 0.0 110.983 179.993 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.559 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 18.5 Cg_endo -74.95 171.49 18.21 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.464 1.77 . . . . 0.0 111.072 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.67 HG23 ' HA ' ' A' ' 51' ' ' TYR . 2.6 t -69.8 -29.24 40.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 130.93 75.47 0.13 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.488 1.118 . . . . 0.0 111.024 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -61.3 -175.98 1.81 Allowed Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -133.7 165.11 25.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 0.77 . . . . 0.0 110.979 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.4 p -71.87 145.76 48.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.987 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.546 HD21 ' HB3' ' A' ' 48' ' ' LEU . 90.7 mt -101.21 -40.18 7.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -34.68 -59.33 0.47 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.317 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -101.7 47.51 1.17 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.505 1.128 . . . . 0.0 111.039 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 36.9 p -118.68 -179.0 3.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 0.752 . . . . 0.0 109.98 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 95' ' ' ILE . 64.5 tp -156.43 146.99 21.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.679 HG13 ' HD2' ' A' ' 120' ' ' LYS . 2.5 p -137.39 145.58 29.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.3 m -157.63 162.51 38.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 109.998 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -99.96 148.64 24.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.273 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.892 HD12 ' HB2' ' A' ' 91' ' ' LEU . 1.9 mt . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.892 ' HB2' HD12 ' A' ' 74' ' ' LEU . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.567 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 10.0 p90 -161.11 159.39 29.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 111.006 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.443 ' HE2' ' CG1' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -122.38 167.02 13.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 78.2 t -127.05 100.64 6.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.446 1.091 . . . . 0.0 109.31 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.674 HG23 ' ND1' ' A' ' 101' ' ' HIS . 52.3 mt -86.51 110.74 20.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 43.4 p -86.99 179.0 6.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 110.386 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 1.9 tttp -60.75 -19.99 60.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.333 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 99' ' ' ASP . 53.4 m-20 -89.3 12.9 14.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.253 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.404 ' O ' ' OD2' ' A' ' 99' ' ' ASP . 4.2 p-10 40.03 43.36 1.28 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.332 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.561 HG21 ' CE1' ' A' ' 102' ' ' TYR . 18.9 m -78.27 -51.49 10.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.378 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.674 ' ND1' HG23 ' A' ' 95' ' ' ILE . 0.4 OUTLIER 79.04 94.42 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 109.62 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.561 ' CE1' HG21 ' A' ' 100' ' ' THR . 44.7 m-85 -103.45 112.72 25.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 111.011 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 3.5 m-30 -76.31 125.17 28.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.421 1.075 . . . . 0.0 111.018 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.567 ' HB ' ' CZ ' ' A' ' 92' ' ' PHE . 9.2 mt -131.35 149.17 32.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.482 ' HB2' ' CD2' ' A' ' 91' ' ' LEU . 7.4 tt0 -113.36 141.87 46.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.278 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.536 ' HA ' HD22 ' A' ' 24' ' ' LEU . . . -91.84 163.32 14.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.243 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 6.4 t -82.0 -47.08 13.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 110.01 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -124.05 151.27 43.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.097 . . . . 0.0 109.99 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -41.21 -54.93 2.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -58.67 -50.33 74.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.345 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.574 ' HG3' ' CD1' ' A' ' 115' ' ' TRP . 0.6 OUTLIER -41.78 -40.61 2.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.289 179.942 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.497 ' HD2' ' CD1' ' A' ' 116' ' ' ILE . 6.1 tmm_? -61.73 -69.03 0.27 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.283 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -46.24 -46.25 17.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.33 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -61.53 -61.04 2.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 110.323 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' TRP . . . . . 0.574 ' CD1' ' HG3' ' A' ' 111' ' ' GLU . 34.2 m95 -45.63 -32.7 2.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 108.019 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.497 ' CD1' ' HD2' ' A' ' 112' ' ' ARG . 25.9 mt -73.01 -77.73 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 116' ' ' ILE . 0.3 OUTLIER -35.09 -48.79 0.44 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 110.245 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.702 ' HB1' HD13 ' A' ' 41' ' ' LEU . . . -47.83 -62.96 1.2 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.535 HD12 ' O ' ' A' ' 115' ' ' TRP . 20.3 mt -45.77 -54.66 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.679 ' HD2' HG13 ' A' ' 71' ' ' VAL . 0.0 OUTLIER -51.72 -53.32 40.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.14 . . . . 0.0 109.329 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.403 ' HG3' ' O ' ' A' ' 117' ' ' GLU . 19.8 mttt -39.97 -57.38 1.63 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.261 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.962 ' HB3' ' HB1' ' A' ' 46' ' ' ALA . 0.6 OUTLIER -52.5 -56.21 16.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.267 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 123' ' ' THR . . . . . 0.51 HG22 ' O ' ' A' ' 66' ' ' LEU . 50.6 p . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 110.389 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.795 HG13 ' H ' ' A' ' 13' ' ' GLU . 1.5 p . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.795 ' H ' HG13 ' A' ' 12' ' ' VAL . 39.3 mt-10 -62.28 -42.97 99.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.32 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.615 HD21 ' CG ' ' A' ' 49' ' ' HIS . 2.0 mt -87.19 11.4 14.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.348 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.22 60.05 0.62 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 0.0 109.958 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -138.93 172.55 23.07 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.484 1.115 . . . . 0.0 111.017 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.463 ' HB ' ' HD3' ' A' ' 43' ' ' LYS . 13.8 m -76.38 143.2 40.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 0.761 . . . . 0.0 110.4 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.502 HG21 ' OE1' ' A' ' 21' ' ' GLN . 2.1 t -76.37 128.41 37.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.725 HG13 ' HD2' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -111.57 -41.37 4.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.558 ' HG2' ' CD2' ' A' ' 115' ' ' TRP . 4.6 tptt -148.17 140.15 24.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.572 ' HG2' HG23 ' A' ' 40' ' ' VAL . 26.7 mt-30 -142.86 147.8 35.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.301 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 165.32 -169.77 39.97 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.546 1.153 . . . . 0.0 111.042 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.544 ' CE1' ' HB2' ' A' ' 38' ' ' ARG . 85.6 m-85 -115.25 125.91 53.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 0.786 . . . . 0.0 111.001 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.585 HD12 ' CG ' ' A' ' 39' ' ' PHE . 20.4 mt -121.03 169.73 10.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 109.281 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -116.7 124.96 50.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.332 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.6 mmmt -98.44 135.59 39.79 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.548 1.155 . . . . 0.0 109.28 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.412 ' HG3' ' NE1' ' A' ' 34' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.3 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.412 ' NE1' ' HG3' ' A' ' 27' ' ' GLN . 31.8 m95 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.1 mtpm? -107.66 129.82 54.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.5 t -73.47 144.55 12.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.713 ' HD3' HG21 ' A' ' 61' ' ' VAL . 0.1 OUTLIER -151.06 164.88 35.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 110.272 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.544 ' HB2' ' CE1' ' A' ' 23' ' ' TYR . 1.4 ttp180 -98.72 105.15 17.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.103 . . . . 0.0 110.276 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.585 ' CG ' HD12 ' A' ' 24' ' ' LEU . 7.4 m-85 -96.64 136.26 37.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 110.993 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.906 ' O ' HD12 ' A' ' 48' ' ' LEU . 8.8 p -122.65 140.51 46.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.746 ' HG ' HD13 ' A' ' 48' ' ' LEU . 0.5 OUTLIER -116.9 118.32 32.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.431 1.082 . . . . 0.0 109.301 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.454 ' NH1' ' O ' ' A' ' 14' ' ' LEU . 1.7 mtp180 -122.15 148.76 44.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.346 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.725 ' HD2' HG13 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -122.89 154.58 38.12 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.467 ' N ' ' C ' ' A' ' 45' ' ' PRO . 1.8 t70 44.09 78.58 0.38 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.467 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.3 Cg_endo -75.0 169.75 73.72 Favored 'Cis proline' 0 C--N 1.36 1.161 0 C-N-CA 120.981 -2.508 . . . . 0.0 110.997 -0.014 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.707 ' CB ' HD12 ' A' ' 122' ' ' LEU . . . -92.77 102.74 15.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.44 1.087 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.427 ' CD1' ' HB2' ' A' ' 45' ' ' PRO . 42.4 m-85 -150.16 166.09 30.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 111.031 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.906 HD12 ' O ' ' A' ' 40' ' ' VAL . 5.3 tp -141.87 113.31 7.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.615 ' CG ' HD21 ' A' ' 14' ' ' LEU . 43.7 m-70 -117.47 166.76 11.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.603 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.544 ' CE1' ' N ' ' A' ' 63' ' ' GLY . 17.7 p90 -147.85 150.66 34.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 0.0 111.015 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.785 ' HA ' HG23 ' A' ' 61' ' ' VAL . 13.6 m-85 -127.48 153.61 46.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 111.033 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.523 ' N ' ' CG2' ' A' ' 61' ' ' VAL . 15.3 t0 -83.2 124.5 76.16 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.255 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.123 0 O-C-N 124.515 1.797 . . . . 0.0 111.017 179.968 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.472 ' CD ' ' HD2' ' A' ' 60' ' ' PRO . 16.6 tpp180 . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 110.332 -0.247 . . . . 0.0 110.332 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.588 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 18.3 Cg_endo -74.96 165.38 31.47 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.523 1.802 . . . . 0.0 110.952 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.785 HG23 ' HA ' ' A' ' 51' ' ' TYR . 1.6 t -77.33 -18.74 14.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.277 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 179.68 -128.91 1.28 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.493 1.121 . . . . 0.0 111.015 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.544 ' N ' ' CE1' ' A' ' 50' ' ' TYR . . . 122.67 130.05 3.63 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.801 ' CZ ' HD23 ' A' ' 48' ' ' LEU . 2.6 p90 -117.54 154.19 31.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 0.746 . . . . 0.0 111.01 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.0 t -77.86 135.21 37.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.98 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.46 ' O ' ' N ' ' A' ' 69' ' ' SER . 69.1 mt -80.63 -42.2 22.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 5.0 mmt180 -45.24 97.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.311 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 99.56 29.98 6.75 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.455 1.097 . . . . 0.0 111.012 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.46 ' N ' ' O ' ' A' ' 66' ' ' LEU . 36.9 m -117.3 -176.84 3.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 0.755 . . . . 0.0 110.04 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.843 ' O ' HG13 ' A' ' 94' ' ' VAL . 1.1 tm? -151.85 161.64 42.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.269 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.746 ' N ' HD13 ' A' ' 70' ' ' LEU . 7.7 p -149.88 144.44 17.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.7 m -160.2 161.14 33.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 109.956 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -94.23 142.92 26.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.675 HD12 ' HB2' ' A' ' 91' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.675 ' HB2' HD12 ' A' ' 74' ' ' LEU . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.439 ' HB3' HD11 ' A' ' 116' ' ' ILE . 33.6 p90 -142.12 164.48 30.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.977 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.06 167.59 18.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.843 HG13 ' O ' ' A' ' 70' ' ' LEU . 81.5 t -135.48 120.84 29.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.576 HG23 ' HD2' ' A' ' 101' ' ' HIS . 9.0 mt -99.98 119.56 48.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 38.1 p -77.08 -177.62 4.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.45 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.64 -42.68 99.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.345 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.676 ' O ' ' CB ' ' A' ' 99' ' ' ASP . 0.2 OUTLIER -58.51 -51.58 69.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 109.29 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.676 ' CB ' ' O ' ' A' ' 98' ' ' ASP . 0.5 OUTLIER 140.42 -15.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 179.961 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.496 ' O ' ' HA ' ' A' ' 95' ' ' ILE . 52.8 m -42.32 148.37 0.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 110.419 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.576 ' HD2' HG23 ' A' ' 95' ' ' ILE . 47.3 m170 -116.55 113.05 22.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.544 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -102.31 111.54 23.87 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.545 1.153 . . . . 0.0 111.007 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -89.86 123.52 33.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 111.003 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.48 HG22 ' N ' ' A' ' 105' ' ' GLN . 81.5 mt -129.9 165.18 30.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.48 ' N ' HG22 ' A' ' 104' ' ' ILE . 17.7 tt0 -127.66 135.89 50.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.267 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.719 ' HB1' ' HB3' ' A' ' 111' ' ' GLU . . . -93.03 -179.73 5.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 0.0 109.269 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 41.2 t -89.19 -30.13 18.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.965 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.6 m -152.61 158.6 42.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.979 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.03 -46.29 21.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.1 . . . . 0.0 109.29 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.89 -44.16 93.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.719 ' HB3' ' HB1' ' A' ' 106' ' ' ALA . 0.2 OUTLIER -47.38 -39.53 15.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.155 . . . . 0.0 110.335 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.466 ' O ' ' C ' ' A' ' 113' ' ' ALA . 3.5 mtt-85 -57.67 -76.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.435 1.084 . . . . 0.0 110.26 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.466 ' C ' ' O ' ' A' ' 112' ' ' ARG . . . -35.36 -49.15 0.51 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.274 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.415 ' HB3' ' NZ ' ' A' ' 20' ' ' LYS . 1.3 mm-40 -55.91 -52.81 62.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 110.3 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' TRP . . . . . 0.558 ' CD2' ' HG2' ' A' ' 20' ' ' LYS . 60.1 m95 -65.87 -41.65 91.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 108.04 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.439 HD11 ' HB3' ' A' ' 92' ' ' PHE . 68.7 mt -61.14 -77.17 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.347 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 113' ' ' ALA . 2.7 tt0 -37.3 -51.68 1.07 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -47.68 -53.6 14.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.265 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 24.5 mt -55.62 -54.72 22.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.527 ' CG ' ' CG1' ' A' ' 71' ' ' VAL . 26.5 mttt -47.73 -51.45 22.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 18.8 mttt -43.03 -56.16 3.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 109.34 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.707 HD12 ' CB ' ' A' ' 46' ' ' ALA . 1.0 OUTLIER -54.37 -53.48 53.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 109.285 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 33.6 p . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.408 -179.99 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.759 HG13 ' H ' ' A' ' 13' ' ' GLU . 1.6 p . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.759 ' H ' HG13 ' A' ' 12' ' ' VAL . 46.2 mt-10 -58.63 -46.06 87.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.259 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.743 HD11 ' CG ' ' A' ' 49' ' ' HIS . 1.4 mm? -80.61 -0.39 37.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.316 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 24.5 t -93.2 55.88 2.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.963 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -135.75 162.61 24.96 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.46 1.1 . . . . 0.0 111.008 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.477 ' CB ' ' HD3' ' A' ' 43' ' ' LYS . 4.2 m -69.74 146.13 51.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 0.773 . . . . 0.0 110.387 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.435 HG13 ' HG3' ' A' ' 21' ' ' GLN . 2.3 t -82.57 126.62 40.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.148 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.727 HG13 ' HD2' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -109.67 -35.0 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.343 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.548 ' HG2' ' CD2' ' A' ' 115' ' ' TRP . 3.2 tptt -152.0 142.14 22.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.45 ' OE1' HG23 ' A' ' 40' ' ' VAL . 22.7 mt-30 -144.82 146.08 31.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 110.326 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 164.89 -164.37 36.97 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.5 1.125 . . . . 0.0 111.022 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.517 ' CZ ' ' HD3' ' A' ' 38' ' ' ARG . 57.4 m-85 -117.45 123.23 45.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 0.792 . . . . 0.0 110.984 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.676 HD22 ' O ' ' A' ' 105' ' ' GLN . 35.9 mt -116.16 166.4 12.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.268 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.783 ' HB3' ' HB3' ' A' ' 105' ' ' GLN . . . -116.56 124.1 49.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.47 145.46 27.43 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.321 179.972 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.688 ' CH2' HD22 ' A' ' 91' ' ' LEU . 11.5 m95 . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.405 ' O ' ' HA ' ' A' ' 25' ' ' ALA . 21.7 mtpt -137.79 117.31 12.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.284 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.4 t -72.49 139.56 19.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.314 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 4.0 mtt-85 -150.65 160.06 44.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.313 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.517 ' HD3' ' CZ ' ' A' ' 23' ' ' TYR . 0.9 OUTLIER -89.45 107.0 18.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.276 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.575 ' CD1' ' HB2' ' A' ' 24' ' ' LEU . 14.8 m-85 -101.24 134.58 44.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 110.981 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.885 ' O ' HD12 ' A' ' 48' ' ' LEU . 11.1 p -118.84 140.76 41.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.693 ' HG ' HD13 ' A' ' 48' ' ' LEU . 0.4 OUTLIER -112.38 113.64 25.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.27 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.444 ' HA ' ' O ' ' A' ' 17' ' ' THR . 0.0 OUTLIER -115.91 145.48 42.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 110.3 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.727 ' HD2' HG13 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -123.46 158.25 31.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 109.291 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.437 ' N ' ' C ' ' A' ' 45' ' ' PRO . 2.0 t0 38.68 79.91 0.3 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.437 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.3 Cg_endo -74.99 165.49 85.8 Favored 'Cis proline' 0 C--N 1.36 1.15 0 C-N-CA 121.019 -2.492 . . . . 0.0 111.021 -0.026 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.556 ' CB ' HD12 ' A' ' 122' ' ' LEU . . . -86.33 100.32 12.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.351 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -146.79 163.8 34.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 111.032 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.885 HD12 ' O ' ' A' ' 40' ' ' VAL . 4.8 tp -141.09 113.69 8.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.354 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.776 ' O ' HG12 ' A' ' 40' ' ' VAL . 70.5 m80 -119.85 161.61 20.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.574 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.575 ' CE2' ' HB ' ' A' ' 61' ' ' VAL . 12.1 p90 -146.62 150.07 34.76 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 111.018 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.686 ' HA ' HG23 ' A' ' 61' ' ' VAL . 11.2 m-85 -124.66 143.09 50.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.967 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -76.49 135.52 68.74 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.129 0 O-C-N 124.482 1.78 . . . . 0.0 111.02 179.966 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 6.0 mtt-85 . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.609 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 18.3 Cg_endo -75.01 164.82 32.57 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.491 1.785 . . . . 0.0 111.022 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.686 HG23 ' HA ' ' A' ' 51' ' ' TYR . 2.8 t -64.02 -29.81 48.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 141.48 71.69 0.03 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.489 1.118 . . . . 0.0 110.951 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -64.33 179.03 7.63 Favored Glycine 0 CA--C 1.531 1.043 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.68 ' CE2' HD23 ' A' ' 48' ' ' LEU . 1.6 p90 -134.09 157.81 45.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 0.775 . . . . 0.0 111.041 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 12.6 p -75.58 141.9 42.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.0 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.487 HD21 ' HB3' ' A' ' 48' ' ' LEU . 42.5 mt -95.64 -33.93 12.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 23.7 mmt180 -48.32 99.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.284 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 94.86 26.98 11.72 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.439 1.087 . . . . 0.0 111.0 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 66' ' ' LEU . 52.2 m -111.62 -174.68 2.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 0.747 . . . . 0.0 109.981 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.903 HD13 ' N ' ' A' ' 71' ' ' VAL . 2.9 tm? -155.01 156.6 36.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.903 ' N ' HD13 ' A' ' 70' ' ' LEU . 8.6 p -140.85 145.98 24.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.332 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.3 p -155.52 168.32 27.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.024 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -97.92 168.5 10.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.736 HD21 ' HB3' ' A' ' 93' ' ' LYS . 2.6 mt . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.332 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.688 HD22 ' CH2' ' A' ' 34' ' ' TRP . 3.0 mp . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.623 ' HB3' HD11 ' A' ' 116' ' ' ILE . 45.5 p90 -149.72 164.25 35.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 110.999 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.736 ' HB3' HD21 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -121.03 164.87 16.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.434 HG22 HG23 ' A' ' 71' ' ' VAL . 92.5 t -136.4 112.77 12.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.684 HD11 ' NZ ' ' A' ' 93' ' ' LYS . 21.4 mt -96.83 102.49 13.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 15.1 p -82.25 -178.69 7.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.374 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 2.2 ptmt -65.78 -11.58 47.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 109.261 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -91.89 17.37 9.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 109.327 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 47.43 35.28 3.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.259 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 98.4 m -105.0 123.4 47.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 110.45 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -92.61 101.93 14.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.638 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -93.19 103.62 15.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 111.016 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -76.46 108.61 9.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 111.009 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.563 ' HB ' ' CZ ' ' A' ' 92' ' ' PHE . 73.2 mt -114.59 158.31 14.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.783 ' HB3' ' HB3' ' A' ' 25' ' ' ALA . 52.4 tt0 -107.27 165.93 11.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.32 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.797 ' HB1' ' HB3' ' A' ' 111' ' ' GLU . . . -129.03 160.56 32.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.267 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.14 -34.29 74.77 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.48 1.113 . . . . 0.0 109.997 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.67 177.55 11.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.95 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 34.3 mttt -59.1 -35.25 73.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -72.59 -48.1 42.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.28 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.797 ' HB3' ' HB1' ' A' ' 106' ' ' ALA . 1.3 tp10 -45.53 -38.99 6.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 110.288 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.74 ' HG3' ' HB3' ' A' ' 106' ' ' ALA . 7.6 mtm-85 -56.73 -75.05 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.287 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.509 ' O ' ' N ' ' A' ' 117' ' ' GLU . . . -35.78 -54.97 0.73 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.236 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.451 ' O ' ' HB2' ' A' ' 118' ' ' ALA . 37.1 mm-40 -52.16 -55.04 23.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 110.281 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' TRP . . . . . 0.548 ' CD2' ' HG2' ' A' ' 20' ' ' LYS . 54.7 m95 -60.44 -47.12 87.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 108.038 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.623 HD11 ' HB3' ' A' ' 92' ' ' PHE . 5.5 mt -59.2 -76.76 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.509 ' N ' ' O ' ' A' ' 113' ' ' ALA . 2.8 tt0 -37.69 -47.88 1.01 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 110.28 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.48 ' HB1' HD13 ' A' ' 41' ' ' LEU . . . -49.32 -59.54 3.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 109.281 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 61.8 mt -54.18 -49.49 62.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 109.31 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.497 ' HG2' ' CG1' ' A' ' 71' ' ' VAL . 21.9 mttt -43.44 -52.3 6.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 14.5 mttt -46.84 -59.89 2.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.334 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.556 HD12 ' CB ' ' A' ' 46' ' ' ALA . 0.7 OUTLIER -45.1 -59.37 2.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.348 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 70.9 p . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 110.374 179.993 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.485 HG13 ' HG3' ' A' ' 13' ' ' GLU . 11.5 p . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.485 ' HG3' HG13 ' A' ' 12' ' ' VAL . 1.5 mp0 -63.74 -39.22 93.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 110.301 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -85.39 7.05 23.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.6 p -98.66 44.81 1.02 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 109.986 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -117.63 156.7 15.5 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.527 1.142 . . . . 0.0 111.03 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.6 m -70.03 121.05 16.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.449 0.735 . . . . 0.0 110.426 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.473 HG13 ' HG3' ' A' ' 21' ' ' GLN . 2.3 t -57.59 122.16 6.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.648 HG13 ' HE2' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -110.23 -27.15 2.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.529 1.143 . . . . 0.0 109.258 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.528 ' HG2' ' CD2' ' A' ' 115' ' ' TRP . 2.9 tptt -157.23 141.5 16.38 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.551 1.157 . . . . 0.0 109.361 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.875 ' NE2' HG23 ' A' ' 40' ' ' VAL . 6.7 mt-30 -144.93 148.15 33.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.288 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 163.12 -165.01 36.32 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.532 1.145 . . . . 0.0 111.017 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.565 ' CE2' ' HB2' ' A' ' 38' ' ' ARG . 68.8 m-85 -118.28 121.19 39.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 0.785 . . . . 0.0 110.989 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.561 ' HB2' ' CD1' ' A' ' 39' ' ' PHE . 51.2 mt -115.41 167.77 10.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.249 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.916 ' HB3' ' HB3' ' A' ' 105' ' ' GLN . . . -111.39 112.63 24.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.329 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.6 tttt -100.61 100.36 11.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.336 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.52 ' HB2' ' CE3' ' A' ' 34' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.351 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.52 ' CE3' ' HB2' ' A' ' 27' ' ' GLN . 10.1 m95 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.92 126.09 47.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.4 t -74.09 138.49 21.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.401 ' HD3' HG21 ' A' ' 61' ' ' VAL . 13.5 mtt-85 -146.83 153.47 40.2 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.446 1.091 . . . . 0.0 110.305 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.565 ' HB2' ' CE2' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -81.71 102.53 10.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.309 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.561 ' CD1' ' HB2' ' A' ' 24' ' ' LEU . 12.3 m-85 -96.72 134.42 40.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 110.981 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.962 ' O ' HD12 ' A' ' 48' ' ' LEU . 9.4 p -116.67 141.57 34.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.678 ' HG ' HD13 ' A' ' 48' ' ' LEU . 0.4 OUTLIER -116.01 120.28 38.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 37.0 mtt-85 -125.24 149.25 48.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.286 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.648 ' HE2' HG13 ' A' ' 19' ' ' VAL . 1.4 pttt -126.23 148.22 49.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.481 ' N ' ' C ' ' A' ' 45' ' ' PRO . 44.3 t0 47.84 77.73 0.44 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.138 . . . . 0.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.481 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.4 Cg_endo -74.97 169.62 74.05 Favored 'Cis proline' 0 C--N 1.36 1.176 0 C-N-CA 121.033 -2.486 . . . . 0.0 111.0 -0.044 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.587 ' CB ' HD12 ' A' ' 122' ' ' LEU . . . -95.07 92.84 7.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.415 ' CD2' ' HB3' ' A' ' 13' ' ' GLU . 17.3 m-85 -139.38 155.59 47.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.471 1.107 . . . . 0.0 110.99 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.962 HD12 ' O ' ' A' ' 40' ' ' VAL . 5.1 tp -132.75 113.72 13.29 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.698 ' O ' HG12 ' A' ' 40' ' ' VAL . 67.4 m80 -116.35 158.18 23.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.408 1.068 . . . . 0.0 109.611 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.412 ' HA ' ' O ' ' A' ' 38' ' ' ARG . 39.4 p90 -143.1 142.44 31.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 111.0 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.767 ' HA ' HG23 ' A' ' 61' ' ' VAL . 31.0 m-85 -116.39 163.68 15.68 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.535 1.147 . . . . 0.0 111.013 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.572 ' N ' ' CG2' ' A' ' 61' ' ' VAL . 0.0 OUTLIER -91.36 126.87 53.13 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.575 1.172 . . . . 0.0 109.33 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.14 0 O-C-N 124.464 1.77 . . . . 0.0 111.026 179.967 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.463 ' CD ' ' HD2' ' A' ' 60' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.494 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 18.3 Cg_endo -74.95 161.34 39.06 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.488 1.783 . . . . 0.0 110.999 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.767 HG23 ' HA ' ' A' ' 51' ' ' TYR . 1.1 t -79.05 -12.37 13.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 175.36 -140.54 5.28 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.512 1.132 . . . . 0.0 111.011 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 134.51 125.39 2.55 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.663 ' CZ ' HD23 ' A' ' 48' ' ' LEU . 2.5 p90 -115.85 160.33 20.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 0.752 . . . . 0.0 111.005 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.8 p -75.49 156.83 34.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 109.969 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' A' ' 69' ' ' SER . 84.7 mt -114.57 -42.43 3.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.5 105.75 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 110.285 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 89.97 31.21 11.27 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.485 1.115 . . . . 0.0 111.029 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.414 ' N ' ' O ' ' A' ' 66' ' ' LEU . 58.7 m -116.26 -178.86 3.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 0.77 . . . . 0.0 110.016 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 95' ' ' ILE . 12.2 tp -147.34 157.02 43.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.683 HG13 ' HD2' ' A' ' 120' ' ' LYS . 2.4 p -138.0 145.21 29.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 23.7 m -148.34 163.51 36.86 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.492 1.12 . . . . 0.0 110.042 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -97.29 161.9 13.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.689 HD12 ' CB ' ' A' ' 91' ' ' LEU . 9.4 mt . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.689 ' CB ' HD12 ' A' ' 74' ' ' LEU . 1.3 mt . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.479 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 15.2 p90 -170.76 158.83 6.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 0.0 110.986 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.03 165.22 16.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 78.9 t -129.54 105.36 12.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.578 HG12 ' CD2' ' A' ' 101' ' ' HIS . 80.1 mt -90.39 104.19 15.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 30.3 p -78.71 -174.72 4.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 110.407 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 1.5 ptmt -68.29 -8.76 42.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.342 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -100.29 5.17 44.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.493 ' HA ' HG23 ' A' ' 95' ' ' ILE . 0.6 OUTLIER 47.15 40.74 10.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.328 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 2.7 m -75.31 -47.76 26.31 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.467 1.104 . . . . 0.0 110.389 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.578 ' CD2' HG12 ' A' ' 95' ' ' ILE . 4.3 m170 78.16 92.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.601 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 51.3 m-85 -99.8 117.52 34.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 110.991 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -80.77 131.29 35.41 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 0.0 111.022 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.479 ' HB ' ' CZ ' ' A' ' 92' ' ' PHE . 63.2 mt -141.14 161.51 22.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.916 ' HB3' ' HB3' ' A' ' 25' ' ' ALA . 23.8 tt0 -125.18 151.88 45.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.31 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.458 ' HA ' ' CD2' ' A' ' 24' ' ' LEU . . . -105.98 150.92 25.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.53 -51.24 63.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 110.038 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -125.57 159.29 32.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.979 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 33.6 tttt -45.04 -56.27 4.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.095 . . . . 0.0 109.268 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 111' ' ' GLU . . . -56.46 -52.76 63.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.409 ' HG3' ' CD1' ' A' ' 115' ' ' TRP . 0.2 OUTLIER -38.18 -42.22 0.66 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 0.0 110.347 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.411 ' HA ' ' HB2' ' A' ' 106' ' ' ALA . 17.4 ttp180 -53.96 -70.85 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.312 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.431 ' O ' ' N ' ' A' ' 117' ' ' GLU . . . -46.81 -42.78 17.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 109.339 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.446 ' O ' ' HB2' ' A' ' 118' ' ' ALA . 2.8 mt-10 -55.63 -53.7 53.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 110.288 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' TRP . . . . . 0.528 ' CD2' ' HG2' ' A' ' 20' ' ' LYS . 81.4 m95 -63.77 -43.03 97.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 107.999 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.408 HG22 ' CE ' ' A' ' 120' ' ' LYS . 48.7 mt -60.28 -77.14 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.316 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 113' ' ' ALA . 2.1 tt0 -38.37 -38.45 0.37 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 0.0 110.298 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.446 ' HB2' ' O ' ' A' ' 114' ' ' GLU . . . -57.87 -67.89 0.3 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.43 ' O ' ' C ' ' A' ' 120' ' ' LYS . 8.0 mt -40.37 -60.32 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.683 ' HD2' HG13 ' A' ' 71' ' ' VAL . 0.2 OUTLIER -38.67 -41.25 0.68 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 109.252 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 118' ' ' ALA . 12.1 mttt -59.37 -59.18 5.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.117 . . . . 0.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.587 HD12 ' CB ' ' A' ' 46' ' ' ALA . 0.5 OUTLIER -46.92 -59.08 3.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 71.8 p . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 110.416 179.972 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.21 127.27 13.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 0.773 . . . . 0.0 109.933 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.6 p -178.67 126.54 0.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.987 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.0 -69.93 1.3 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.482 1.114 . . . . 0.0 110.955 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -108.3 150.29 27.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 0.779 . . . . 0.0 109.975 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.1 t -42.35 -58.28 2.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.113 . . . . 0.0 109.95 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 117.59 81.11 0.79 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.536 1.147 . . . . 0.0 110.997 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 8.4 t -129.89 -60.38 1.03 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 0.742 . . . . 0.0 110.02 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.1 mt -47.3 171.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.338 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 85.9 p -99.5 139.52 35.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.984 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.458 ' CG2' ' HB2' ' A' ' 14' ' ' LEU . 32.4 m -41.48 161.01 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.532 1.145 . . . . 0.0 110.434 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.666 HG22 ' N ' ' A' ' 13' ' ' GLU . 0.2 OUTLIER -141.66 -82.42 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.246 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.666 ' N ' HG22 ' A' ' 12' ' ' VAL . 2.2 mm-40 -53.16 -40.59 64.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.329 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.732 HD11 ' CG ' ' A' ' 49' ' ' HIS . 1.0 OUTLIER -87.0 10.66 15.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.0 t -100.37 49.3 0.91 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 110.001 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -123.18 158.2 17.77 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.518 1.136 . . . . 0.0 110.985 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.4 m -68.66 119.07 12.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 0.756 . . . . 0.0 110.419 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.484 HG13 ' HG3' ' A' ' 21' ' ' GLN . 2.4 t -54.5 123.02 4.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.67 HG13 ' HE2' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -110.71 -26.57 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 109.311 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.534 ' HG2' ' CD2' ' A' ' 115' ' ' TRP . 2.3 tptt -159.84 142.08 13.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.744 ' NE2' HG23 ' A' ' 40' ' ' VAL . 9.9 mt-30 -146.7 149.76 34.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.327 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 160.42 -163.77 34.14 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.532 1.145 . . . . 0.0 110.996 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.444 ' CZ ' ' HD2' ' A' ' 38' ' ' ARG . 76.6 m-85 -118.75 130.09 55.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 0.779 . . . . 0.0 110.996 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.67 HD12 ' CG ' ' A' ' 39' ' ' PHE . 21.0 mt -123.08 170.54 10.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.365 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -120.89 107.34 12.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.563 1.164 . . . . 0.0 109.28 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 59.0 tttt -89.13 141.69 28.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.5 ' OE1' HG13 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -90.64 125.23 35.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.305 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -156.36 143.46 9.74 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.463 1.102 . . . . 0.0 111.016 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -54.31 171.32 0.12 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 0.765 . . . . 0.0 109.596 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.39 154.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.0 175.86 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.32 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.3 tptt -44.62 161.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -42.45 -72.8 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.465 ' CE2' ' HB2' ' A' ' 27' ' ' GLN . 11.6 m0 -115.29 140.12 49.38 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.93 136.17 52.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.268 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.5 t -79.83 130.37 36.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.347 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.409 ' CD ' HG21 ' A' ' 61' ' ' VAL . 0.4 OUTLIER -136.58 144.91 44.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.298 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.444 ' HD2' ' CZ ' ' A' ' 23' ' ' TYR . 5.1 ttt180 -79.34 108.33 12.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.309 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.67 ' CG ' HD12 ' A' ' 24' ' ' LEU . 12.5 m-85 -97.69 142.11 29.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.85 ' O ' HD12 ' A' ' 48' ' ' LEU . 7.6 p -126.13 138.14 55.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.87 ' HG ' HD13 ' A' ' 48' ' ' LEU . 0.4 OUTLIER -114.74 132.6 56.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.324 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 49.5 mtt-85 -130.69 167.86 18.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 110.306 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.67 ' HE2' HG13 ' A' ' 19' ' ' VAL . 4.3 pttt -145.09 140.33 27.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.51 ' N ' ' C ' ' A' ' 45' ' ' PRO . 25.7 t70 49.2 76.59 0.53 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.51 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.3 Cg_endo -74.99 166.41 83.34 Favored 'Cis proline' 0 C--N 1.36 1.17 0 C-N-CA 121.008 -2.497 . . . . 0.0 110.978 0.011 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.856 ' HB1' ' HB3' ' A' ' 122' ' ' LEU . . . -97.85 103.74 15.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.596 ' CZ ' ' OE2' ' A' ' 13' ' ' GLU . 9.8 m-85 -148.05 160.68 42.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.094 . . . . 0.0 111.053 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.87 HD13 ' HG ' ' A' ' 41' ' ' LEU . 10.9 tp -135.7 114.08 11.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.732 ' CG ' HD11 ' A' ' 14' ' ' LEU . 40.5 m-70 -118.2 161.7 19.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 0.0 109.614 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.418 ' HA ' ' O ' ' A' ' 38' ' ' ARG . 32.8 p90 -143.68 141.09 30.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 111.031 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.694 ' HA ' HG23 ' A' ' 61' ' ' VAL . 7.2 m-85 -117.4 147.14 42.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.962 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.446 ' N ' ' CG2' ' A' ' 61' ' ' VAL . 4.5 t0 -82.36 123.88 78.65 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.147 . . . . 0.0 109.3 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -42.76 0.46 Allowed 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.451 1.764 . . . . 0.0 110.952 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.411 ' N ' ' OD1' ' A' ' 52' ' ' ASP . 34.2 t -48.51 -32.91 8.62 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.142 . . . . 0.0 110.043 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 21.3 mmtp -97.7 -178.31 4.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.117 . . . . 0.0 109.319 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -132.04 77.29 1.75 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 110.306 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -138.37 125.08 20.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 110.245 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.542 ' O ' ' CE2' ' A' ' 51' ' ' TYR . 0.6 OUTLIER -57.63 -50.43 73.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.334 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.8 mtt85 -56.93 149.32 44.83 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.319 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.589 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 18.2 Cg_endo -75.0 162.58 36.89 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.517 1.799 . . . . 0.0 111.003 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.694 HG23 ' HA ' ' A' ' 51' ' ' TYR . 1.8 t -76.86 -29.86 17.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -158.18 -136.59 2.1 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.528 1.142 . . . . 0.0 111.001 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 131.45 123.55 2.49 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.019 -0.833 . . . . 0.0 111.019 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.537 ' CZ ' HD23 ' A' ' 48' ' ' LEU . 15.0 p90 -120.14 153.22 36.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 0.769 . . . . 0.0 111.002 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.5 m -60.35 148.67 36.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.023 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.655 ' O ' HG22 ' A' ' 123' ' ' THR . 93.6 mt -104.64 -44.88 4.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.2 OUTLIER -37.69 -64.75 0.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 110.316 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -91.58 54.59 3.08 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.443 1.089 . . . . 0.0 110.973 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.407 ' OG ' HG22 ' A' ' 96' ' ' THR . 10.5 m -140.67 -178.0 5.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 0.767 . . . . 0.0 109.984 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.845 HD13 ' N ' ' A' ' 71' ' ' VAL . 1.4 tm? -149.85 165.14 33.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.16 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.845 ' N ' HD13 ' A' ' 70' ' ' LEU . 7.3 p -149.47 142.55 17.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.6 m -155.01 166.79 32.49 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.511 1.132 . . . . 0.0 110.007 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -99.15 160.72 14.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.305 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.938 HD12 ' HB2' ' A' ' 91' ' ' LEU . 3.8 mt -105.69 92.81 4.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -56.78 -46.93 81.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.306 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -43.43 109.81 0.16 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 109.28 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 27.2 t30 -59.55 164.77 3.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 50.16 -99.05 0.03 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.531 1.145 . . . . 0.0 110.933 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -87.39 152.07 51.85 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.515 0.773 . . . . 0.0 109.341 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -81.73 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.463 1.77 . . . . 0.0 110.985 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -136.21 -68.09 0.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.41 1.069 . . . . 0.0 110.369 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -138.97 53.94 0.69 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.518 1.136 . . . . 0.0 111.039 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.5 HG13 ' OE1' ' A' ' 27' ' ' GLN . 4.4 t -100.1 142.68 15.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.468 0.746 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 17.5 mmtt -41.34 139.07 1.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.345 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 42.97 -123.95 4.05 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.488 1.118 . . . . 0.0 110.997 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 30.2 p30 -129.26 -179.31 5.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 0.768 . . . . 0.0 109.342 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.54 HG12 HD11 ' A' ' 91' ' ' LEU . 62.0 t -145.05 163.23 13.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.459 ' N ' HG12 ' A' ' 87' ' ' VAL . 15.3 mt-30 -56.13 -159.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.323 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.446 ' O ' ' ND2' ' A' ' 90' ' ' ASN . . . -127.91 140.72 12.02 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.501 1.125 . . . . 0.0 110.998 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' ' 89' ' ' GLY . 8.3 m-80 76.8 56.9 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 0.784 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.938 ' HB2' HD12 ' A' ' 74' ' ' LEU . 1.2 mp -104.93 -174.24 2.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.352 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.583 ' HB3' HD11 ' A' ' 116' ' ' ILE . 8.8 p90 -157.22 149.97 23.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 110.974 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.02 162.5 17.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.725 HG13 ' O ' ' A' ' 70' ' ' LEU . 67.1 t -128.26 108.36 17.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.913 HG23 ' CE1' ' A' ' 101' ' ' HIS . 40.5 mt -88.13 108.16 18.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.407 HG22 ' OG ' ' A' ' 69' ' ' SER . 2.0 p -82.58 -176.27 6.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 110.404 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.85 -21.07 66.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -93.46 17.17 11.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.442 1.089 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 40.66 44.3 1.79 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 8.5 m -77.51 -51.32 10.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.383 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.913 ' CE1' HG23 ' A' ' 95' ' ' ILE . 0.4 OUTLIER 76.62 91.06 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.607 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 46.7 m-85 -95.07 117.68 30.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 111.004 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -86.53 126.33 34.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.998 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.57 ' HB ' ' CZ ' ' A' ' 92' ' ' PHE . 22.8 mt -134.88 166.56 28.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.153 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.63 ' HB2' HD23 ' A' ' 91' ' ' LEU . 4.6 tp60 -127.7 151.87 48.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.274 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.668 ' HB1' ' HB3' ' A' ' 111' ' ' GLU . . . -107.53 153.99 22.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.87 -46.04 74.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.967 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.92 162.88 29.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.005 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 4.3 tttt -50.84 -41.41 57.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.271 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -69.48 -52.47 26.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.356 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.668 ' HB3' ' HB1' ' A' ' 106' ' ' ALA . 0.2 OUTLIER -39.62 -39.72 0.78 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.274 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.45 ' HA ' ' HB2' ' A' ' 106' ' ' ALA . 2.7 ttt-85 -60.04 -72.08 0.12 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.504 1.127 . . . . 0.0 110.288 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.421 ' N ' ' HG2' ' A' ' 112' ' ' ARG . . . -39.78 -38.02 0.61 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -68.18 -53.47 24.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.312 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' TRP . . . . . 0.534 ' CD2' ' HG2' ' A' ' 20' ' ' LYS . 55.0 m95 -59.26 -29.81 67.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 108.009 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.583 HD11 ' HB3' ' A' ' 92' ' ' PHE . 53.8 mt -71.95 -77.12 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.332 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 116' ' ' ILE . 2.5 tt0 -37.34 -40.77 0.37 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.089 . . . . 0.0 110.297 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -55.56 -65.32 0.61 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.511 HG23 HD22 ' A' ' 66' ' ' LEU . 81.7 mt -44.95 -56.56 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.512 ' CG ' ' CG1' ' A' ' 71' ' ' VAL . 19.2 mttt -41.51 -52.8 3.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 11.9 mttt -41.09 -60.2 1.28 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.856 ' HB3' ' HB1' ' A' ' 46' ' ' ALA . 0.3 OUTLIER -52.66 -52.07 57.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 123' ' ' THR . . . . . 0.655 HG22 ' O ' ' A' ' 66' ' ' LEU . 15.7 p -72.79 177.94 4.51 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 110.354 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 84.3 p -95.55 116.61 29.07 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.133 . . . . 0.0 109.964 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -177.94 -162.13 27.34 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.424 1.077 . . . . 0.0 110.973 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 137.78 22.12 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.476 1.777 . . . . 0.0 110.992 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -170.44 -58.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.019 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 21.9 p -45.43 153.52 0.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.978 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 O-C-N 124.503 1.127 . . . . 0.0 111.025 -179.989 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.415 ' O ' ' N ' ' A' ' 3' ' ' SER . . . . . . . . 0 CA--C 1.529 0.962 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 69.73 -63.1 0.4 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 0.755 . . . . 0.0 109.961 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.415 ' N ' ' O ' ' A' ' 1' ' ' GLY . 86.6 p -41.52 159.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 109.995 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.86 -155.59 1.73 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.536 1.148 . . . . 0.0 111.056 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.1 m 61.42 164.05 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 0.784 . . . . 0.0 109.99 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.7 m -44.61 112.93 0.48 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.008 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.69 -102.75 0.22 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.479 1.112 . . . . 0.0 111.011 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.5 t 63.77 138.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 0.757 . . . . 0.0 110.031 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -112.43 112.5 24.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -177.88 131.87 0.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.038 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 53.0 m -66.12 161.77 21.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.39 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.779 HG13 ' H ' ' A' ' 13' ' ' GLU . 1.9 p -144.12 -68.34 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.143 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.779 ' H ' HG13 ' A' ' 12' ' ' VAL . 70.7 mt-10 -59.05 -45.28 91.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.339 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.553 HD23 ' CD2' ' A' ' 49' ' ' HIS . 1.1 mt -84.95 1.03 49.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.416 ' HB2' ' CA ' ' A' ' 12' ' ' VAL . 0.5 OUTLIER -93.13 52.61 1.82 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.029 179.945 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.428 ' O ' ' NH1' ' A' ' 42' ' ' ARG . . . -127.01 159.36 21.17 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.524 1.14 . . . . 0.0 111.029 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.3 m -72.86 123.25 23.02 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.458 0.74 . . . . 0.0 110.366 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.434 HG13 ' HG3' ' A' ' 21' ' ' GLN . 2.2 t -56.48 124.54 10.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -111.72 -29.7 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.54 ' HG2' ' CD2' ' A' ' 115' ' ' TRP . 3.2 tttt -154.47 143.22 20.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.849 ' NE2' HG23 ' A' ' 40' ' ' VAL . 12.1 mt-30 -146.85 147.92 31.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.29 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 163.04 -173.95 39.3 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.479 1.112 . . . . 0.0 111.031 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.56 ' CE1' ' HB2' ' A' ' 38' ' ' ARG . 83.4 m-85 -112.44 121.84 45.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 0.768 . . . . 0.0 110.979 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.567 ' HB2' ' CD1' ' A' ' 39' ' ' PHE . 17.5 mt -114.88 172.04 7.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.611 ' HB3' ' HB3' ' A' ' 105' ' ' GLN . . . -120.39 112.26 18.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.1 tttt -81.02 142.92 32.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.52 ' HA ' ' CE2' ' A' ' 34' ' ' TRP . 29.8 tt0 -41.41 -58.85 1.74 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.557 1.161 . . . . 0.0 110.317 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.52 ' C ' ' CG ' ' A' ' 29' ' ' HIS . . . 111.44 -146.64 17.84 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.536 1.148 . . . . 0.0 110.974 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.52 ' CG ' ' C ' ' A' ' 28' ' ' GLY . 0.0 OUTLIER -165.28 -70.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 0.782 . . . . 0.0 109.615 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.6 mmtt -121.45 134.71 55.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.344 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.1 ttm180 65.57 146.13 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 110.29 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.44 114.12 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -54.72 -61.48 2.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.545 ' CZ2' HG12 ' A' ' 87' ' ' VAL . 15.9 m95 -139.95 118.16 11.99 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 10.4 tppt? -98.89 148.57 23.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.2 t -88.57 135.13 26.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -138.43 144.71 40.27 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.135 . . . . 0.0 110.289 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.56 ' HB2' ' CE1' ' A' ' 23' ' ' TYR . 0.9 OUTLIER -78.71 105.08 9.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.312 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.567 ' CD1' ' HB2' ' A' ' 24' ' ' LEU . 16.4 m-85 -96.94 136.45 37.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 110.982 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.907 ' O ' HD12 ' A' ' 48' ' ' LEU . 11.2 p -120.17 141.95 38.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.826 ' HG ' HD13 ' A' ' 48' ' ' LEU . 0.6 OUTLIER -117.09 128.2 54.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.253 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.451 ' NH1' ' O ' ' A' ' 14' ' ' LEU . 41.5 mtt-85 -128.34 168.09 16.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 110.333 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 45' ' ' PRO . 0.5 OUTLIER -142.97 147.73 35.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 109.327 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.478 ' N ' ' C ' ' A' ' 45' ' ' PRO . 13.8 t0 48.02 78.31 0.41 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.481 ' CG ' ' O ' ' A' ' 12' ' ' VAL . 18.2 Cg_endo -75.0 172.04 65.04 Favored 'Cis proline' 0 C--N 1.36 1.158 0 C-N-CA 121.014 -2.494 . . . . 0.0 111.011 -0.012 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.814 ' HB1' ' HB3' ' A' ' 122' ' ' LEU . . . -95.31 100.79 12.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.553 ' CE2' ' HB3' ' A' ' 65' ' ' SER . 24.6 m-85 -145.6 166.01 27.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.947 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.931 HD23 ' CZ ' ' A' ' 64' ' ' PHE . 5.0 tp -142.94 113.71 7.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.354 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.553 ' CD2' HD23 ' A' ' 14' ' ' LEU . 45.5 m-70 -116.41 165.79 12.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.613 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.484 ' CE1' ' HB ' ' A' ' 61' ' ' VAL . 49.1 p90 -151.36 143.37 23.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.939 ' HA ' HG23 ' A' ' 61' ' ' VAL . 16.6 m-85 -119.3 157.66 27.65 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.478 1.111 . . . . 0.0 111.031 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -88.61 123.48 67.88 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 0.19 9.19 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.511 1.795 . . . . 0.0 111.016 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -103.38 -57.19 2.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 110.017 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.9 mmpt? -60.21 178.09 0.22 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.261 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -145.9 98.99 3.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -152.39 157.37 41.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 110.292 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -90.81 59.31 4.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.6 ttp180 -178.05 158.54 1.18 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 110.309 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.609 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 18.2 Cg_endo -75.03 160.99 39.41 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.45 1.763 . . . . 0.0 111.002 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.939 HG23 ' HA ' ' A' ' 51' ' ' TYR . 3.8 t -77.28 -30.39 17.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.424 ' HA3' ' CZ ' ' A' ' 50' ' ' TYR . . . -158.66 -129.24 1.06 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.475 1.11 . . . . 0.0 111.031 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 114.2 125.42 4.15 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.931 ' CZ ' HD23 ' A' ' 48' ' ' LEU . 13.1 p90 -119.39 153.48 35.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.453 0.737 . . . . 0.0 110.991 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.553 ' HB3' ' CE2' ' A' ' 47' ' ' PHE . 7.0 p -74.37 117.27 15.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.012 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.506 HD13 HD23 ' A' ' 122' ' ' LEU . 87.7 mt -66.09 -44.48 84.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 66' ' ' LEU . 14.1 mmt-85 -37.55 110.88 0.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.307 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 78.38 49.54 6.7 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.504 1.128 . . . . 0.0 110.995 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 47.2 m -132.63 -174.68 3.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.566 0.803 . . . . 0.0 109.995 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.466 ' N ' ' O ' ' A' ' 95' ' ' ILE . 17.3 tp -154.88 156.1 35.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.499 HG12 ' HG2' ' A' ' 120' ' ' LYS . 4.4 p -141.11 153.1 20.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.2 m -160.63 161.86 32.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.1 . . . . 0.0 109.99 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -105.54 146.81 29.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.304 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.577 HD12 ' HB2' ' A' ' 91' ' ' LEU . 0.2 OUTLIER -99.05 -174.49 2.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.093 . . . . 0.0 109.268 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 76' ' ' ASP . 3.2 mt-10 -124.54 151.23 44.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 110.288 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 75' ' ' GLU . 18.1 t70 -40.53 -72.24 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.268 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 42.8 -163.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.274 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -121.7 85.53 0.38 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.533 1.146 . . . . 0.0 111.003 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.925 HG22 ' HA ' ' A' ' 86' ' ' ASN . 94.7 t 64.52 137.79 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.535 0.785 . . . . 0.0 109.335 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.481 ' HD2' HG13 ' A' ' 79' ' ' VAL . 18.2 Cg_endo -75.0 -65.33 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.43 1.753 . . . . 0.0 110.969 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.437 HG22 ' N ' ' A' ' 82' ' ' GLY . 14.0 m -160.04 -95.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 110.415 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.437 ' N ' HG22 ' A' ' 81' ' ' THR . . . -105.71 74.84 0.23 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.49 1.119 . . . . 0.0 110.981 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.752 HG11 ' CG1' ' A' ' 87' ' ' VAL . 41.6 t -122.31 -72.48 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.504 0.767 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.04 -170.14 0.53 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.422 ' O ' ' CG2' ' A' ' 79' ' ' VAL . . . -40.88 -42.96 3.05 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.471 1.107 . . . . 0.0 110.998 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.925 ' HA ' HG22 ' A' ' 79' ' ' VAL . 8.4 t30 167.47 116.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 0.737 . . . . 0.0 109.275 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.752 ' CG1' HG11 ' A' ' 83' ' ' VAL . 4.9 m -54.6 -172.56 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 94.9 mm-40 -65.73 -88.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 110.252 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.493 ' O ' ' CB ' ' A' ' 90' ' ' ASN . . . 179.94 117.92 0.57 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.502 1.126 . . . . 0.0 111.028 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.493 ' CB ' ' O ' ' A' ' 89' ' ' GLY . 4.1 t30 81.55 -65.19 0.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 0.77 . . . . 0.0 109.341 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.731 HD23 ' HB2' ' A' ' 105' ' ' GLN . 2.1 mp 38.85 -158.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.15 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.589 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 4.3 p90 -164.38 152.27 12.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.993 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.49 ' HE2' HD11 ' A' ' 95' ' ' ILE . 1.2 ptmt -119.17 168.15 11.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.272 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.58 HG11 ' CE2' ' A' ' 64' ' ' PHE . 56.1 t -132.99 100.56 3.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.598 HG23 ' CD2' ' A' ' 101' ' ' HIS . 60.4 mt -84.85 105.43 13.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 73.4 p -82.24 -170.06 2.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.123 . . . . 0.0 110.39 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.16 -14.68 62.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 109.351 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -100.13 12.54 36.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.267 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.577 ' C ' ' CD2' ' A' ' 101' ' ' HIS . 0.5 OUTLIER 46.93 35.69 3.47 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.415 ' O ' ' CB ' ' A' ' 101' ' ' HIS . 55.1 m -65.85 -60.56 2.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 110.428 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.598 ' CD2' HG23 ' A' ' 95' ' ' ILE . 2.7 m170 81.61 93.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.59 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -99.14 101.59 12.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 111.021 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -74.28 126.86 31.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.575 1.172 . . . . 0.0 110.995 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.589 ' HB ' ' CZ ' ' A' ' 92' ' ' PHE . 37.0 mt -136.79 168.3 22.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.316 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.731 ' HB2' HD23 ' A' ' 91' ' ' LEU . 6.2 tp60 -121.73 149.42 43.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 110.283 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.721 ' HB1' ' HB3' ' A' ' 111' ' ' GLU . . . -106.96 169.02 8.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.352 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.87 -33.58 34.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 110.041 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.425 ' O ' ' N ' ' A' ' 111' ' ' GLU . 0.1 OUTLIER -148.21 149.74 32.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.999 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 108' ' ' SER . 0.0 OUTLIER -40.03 -44.31 1.72 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.68 -48.86 73.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.264 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.721 ' HB3' ' HB1' ' A' ' 106' ' ' ALA . 1.0 OUTLIER -42.33 -41.17 2.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.15 . . . . 0.0 110.276 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.629 ' NE ' ' HB3' ' A' ' 106' ' ' ALA . 0.7 OUTLIER -56.83 -74.27 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.095 . . . . 0.0 110.264 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.529 ' O ' ' N ' ' A' ' 117' ' ' GLU . . . -34.23 -53.63 0.49 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.582 ' O ' ' HB2' ' A' ' 118' ' ' ALA . 46.6 mm-40 -53.29 -52.15 60.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.299 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' TRP . . . . . 0.54 ' CD2' ' HG2' ' A' ' 20' ' ' LYS . 63.4 m95 -65.19 -44.69 87.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 108.034 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.402 ' O ' ' C ' ' A' ' 117' ' ' GLU . 62.1 mt -61.86 -77.84 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.335 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.529 ' N ' ' O ' ' A' ' 113' ' ' ALA . 2.7 tt0 -37.19 -46.57 0.72 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 0.0 110.293 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.582 ' HB2' ' O ' ' A' ' 114' ' ' GLU . . . -48.73 -58.29 5.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.472 ' HB ' HG11 ' A' ' 71' ' ' VAL . 24.0 mt -53.74 -54.06 22.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.499 ' HG2' HG12 ' A' ' 71' ' ' VAL . 19.2 mttt -44.82 -41.77 7.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 16.3 mttt -55.86 -61.74 2.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 109.288 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.814 ' HB3' ' HB1' ' A' ' 46' ' ' ALA . 0.3 OUTLIER -45.92 -52.95 10.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.276 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 67.1 p -67.73 179.57 1.36 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 110.387 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 4.5 m -69.91 123.91 22.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.981 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -141.89 171.97 24.26 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.485 1.116 . . . . 0.0 110.995 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 -53.52 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.456 1.766 . . . . 0.0 111.008 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 7.6 t -56.77 112.94 1.45 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.121 . . . . 0.0 110.023 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 56.4 p -101.68 148.16 25.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.977 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 O-C-N 124.469 1.106 . . . . 0.0 110.97 179.979 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 t -153.27 127.72 9.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 0.758 . . . . 0.0 110.016 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.7 m -132.19 161.07 34.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.002 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 151.73 179.85 27.74 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.49 1.119 . . . . 0.0 111.037 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -157.98 149.92 21.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.561 0.8 . . . . 0.0 109.97 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -153.6 160.5 42.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 110.026 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 66.79 169.54 3.67 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.521 1.138 . . . . 0.0 110.969 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.15 105.45 11.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 0.741 . . . . 0.0 110.033 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 81.6 mt -138.93 143.78 38.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.091 . . . . 0.0 109.318 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.3 84.25 2.6 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.105 . . . . 0.0 109.959 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 15.8 m -104.57 159.89 15.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 110.399 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.734 HG13 ' H ' ' A' ' 13' ' ' GLU . 2.4 p -142.98 -64.65 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.734 ' H ' HG13 ' A' ' 12' ' ' VAL . 47.6 mt-10 -58.0 -47.63 82.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 110.244 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.619 HD23 ' CD2' ' A' ' 49' ' ' HIS . 0.5 OUTLIER -85.81 9.28 17.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.27 -179.934 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.82 56.81 0.82 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.971 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -129.28 155.97 21.04 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.517 1.136 . . . . 0.0 110.953 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.0 m -67.56 113.74 5.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 0.777 . . . . 0.0 110.402 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.534 HG13 ' HG3' ' A' ' 21' ' ' GLN . 2.3 t -50.66 119.69 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.466 ' CG1' ' HE2' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -109.65 -27.6 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.113 . . . . 0.0 109.321 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.524 ' HG2' ' CD2' ' A' ' 115' ' ' TRP . 11.3 tptt -153.6 145.85 23.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.534 ' HG3' HG13 ' A' ' 18' ' ' VAL . 28.3 mt-30 -152.92 158.84 42.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.281 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 148.39 -163.54 28.97 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.515 1.135 . . . . 0.0 110.996 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.509 ' CZ ' ' HD3' ' A' ' 38' ' ' ARG . 86.9 m-85 -116.38 134.3 55.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 0.76 . . . . 0.0 110.967 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.591 HD21 ' NE1' ' A' ' 115' ' ' TRP . 23.2 mt -128.09 167.94 16.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.311 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.483 ' HB3' ' HB3' ' A' ' 105' ' ' GLN . . . -118.87 99.57 6.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 20.7 tttt -89.07 140.73 29.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 109.293 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.447 ' HB2' ' CE2' ' A' ' 34' ' ' TRP . 0.1 OUTLIER -108.28 138.2 44.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.309 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -161.93 -122.48 0.62 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.51 1.131 . . . . 0.0 110.982 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 5.6 t-80 -139.49 119.65 13.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 0.777 . . . . 0.0 109.627 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.06 -58.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.74 -54.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.254 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.3 tptt -92.31 134.36 34.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.263 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 68.9 m-20 -43.25 -56.0 3.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.704 ' CZ2' HG11 ' A' ' 87' ' ' VAL . 19.2 m95 -126.71 139.56 53.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 108.021 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -130.13 131.26 45.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.9 t -68.25 138.09 23.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.6 mtm-85 -148.32 140.59 24.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 110.315 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.509 ' HD3' ' CZ ' ' A' ' 23' ' ' TYR . 2.4 ttp85 -77.25 106.61 9.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 0.0 110.286 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.568 ' CD2' ' HB3' ' A' ' 50' ' ' TYR . 13.5 m-85 -96.99 149.53 21.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 110.987 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.768 ' O ' HD12 ' A' ' 48' ' ' LEU . 14.6 p -133.79 137.16 53.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.265 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.833 ' HG ' HD13 ' A' ' 48' ' ' LEU . 0.5 OUTLIER -113.41 138.2 50.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.451 ' NH1' ' CG2' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -141.76 155.6 45.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 110.343 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.466 ' HE2' ' CG1' ' A' ' 19' ' ' VAL . 0.5 OUTLIER -129.68 144.66 51.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.282 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.512 ' N ' ' C ' ' A' ' 45' ' ' PRO . 7.7 t70 53.8 76.41 0.53 Allowed Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.498 1.124 . . . . 0.0 109.334 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.512 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.3 Cg_endo -74.98 171.9 65.73 Favored 'Cis proline' 0 C--N 1.359 1.128 0 C-N-CA 120.987 -2.505 . . . . 0.0 111.024 -0.033 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.466 ' CB ' HD12 ' A' ' 122' ' ' LEU . . . -97.6 92.67 6.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.252 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.419 ' CE2' ' HB3' ' A' ' 65' ' ' SER . 10.5 m-85 -133.5 177.99 7.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.133 . . . . 0.0 110.976 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.833 HD13 ' HG ' ' A' ' 41' ' ' LEU . 12.6 tp -153.71 113.96 3.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.258 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.619 ' CD2' HD23 ' A' ' 14' ' ' LEU . 49.6 m-70 -117.62 167.55 11.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.606 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.568 ' HB3' ' CD2' ' A' ' 39' ' ' PHE . 41.6 p90 -156.28 144.01 19.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.989 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.923 ' HA ' HG23 ' A' ' 61' ' ' VAL . 5.6 m-85 -121.93 154.85 36.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.975 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.421 ' HB2' HG21 ' A' ' 61' ' ' VAL . 6.5 t70 -89.89 127.19 54.88 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.418 1.074 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -2.87 13.09 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.491 1.785 . . . . 0.0 111.048 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.1 m -112.72 24.26 12.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.539 1.149 . . . . 0.0 110.008 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.27 177.05 6.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -148.25 85.1 1.52 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.298 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -155.75 148.34 23.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 110.284 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 23.0 m120 -85.09 50.8 2.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.15 154.33 14.52 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 110.325 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.572 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 18.2 Cg_endo -75.05 160.6 39.8 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.49 1.784 . . . . 0.0 111.001 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.923 HG23 ' HA ' ' A' ' 51' ' ' TYR . 4.4 t -77.55 -31.37 17.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.406 ' HA3' ' CZ ' ' A' ' 50' ' ' TYR . . . -157.8 -126.94 0.92 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.512 1.132 . . . . 0.0 110.979 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 111.93 121.71 4.04 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.014 -0.835 . . . . 0.0 111.014 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.8 ' CZ ' HD23 ' A' ' 48' ' ' LEU . 8.2 p90 -118.82 150.65 39.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 0.771 . . . . 0.0 111.001 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.419 ' HB3' ' CE2' ' A' ' 47' ' ' PHE . 11.4 p -74.56 126.91 31.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.105 . . . . 0.0 109.982 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.465 HD12 ' HG ' ' A' ' 122' ' ' LEU . 21.7 mt -73.73 -32.54 63.92 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.145 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 53.9 mmt-85 -46.45 96.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 110.283 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 66' ' ' LEU . . . 96.04 32.31 6.85 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.433 1.083 . . . . 0.0 110.991 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 66' ' ' LEU . 97.7 p -114.45 -176.23 2.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 0.74 . . . . 0.0 110.018 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.933 HD13 ' N ' ' A' ' 71' ' ' VAL . 3.4 tm? -153.48 153.4 32.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.933 ' N ' HD13 ' A' ' 70' ' ' LEU . 5.9 p -136.4 139.81 44.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.243 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 33.8 m -153.47 155.12 35.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 109.964 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -93.44 152.03 19.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.708 HD12 ' HB2' ' A' ' 91' ' ' LEU . 1.5 mt -90.79 163.05 14.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.344 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -73.19 166.8 22.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 110.294 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.45 -53.53 9.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 53.1 m-20 -115.22 164.77 13.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 94.39 128.45 5.23 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.513 1.133 . . . . 0.0 110.982 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 79.9 t -58.75 127.08 82.14 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.508 0.77 . . . . 0.0 109.271 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.471 ' HG2' ' CB ' ' A' ' 83' ' ' VAL . 18.1 Cg_endo -75.03 172.34 16.57 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.538 1.809 . . . . 0.0 110.981 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.428 ' O ' HG23 ' A' ' 83' ' ' VAL . 17.3 m -63.75 118.82 8.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.432 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 46.62 80.88 0.05 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.531 1.144 . . . . 0.0 110.976 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.471 ' CB ' ' HG2' ' A' ' 80' ' ' PRO . 59.9 t -152.38 109.52 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.491 0.76 . . . . 0.0 109.297 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 9.8 mmtt -75.85 82.52 2.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 115.0 90.02 1.68 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.504 1.128 . . . . 0.0 111.031 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.417 ' N ' ' OD1' ' A' ' 86' ' ' ASN . 5.9 p-10 -40.95 102.66 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 0.75 . . . . 0.0 109.316 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.704 HG11 ' CZ2' ' A' ' 34' ' ' TRP . 4.0 m -65.21 -179.72 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.588 ' C ' HD11 ' A' ' 91' ' ' LEU . 2.8 pt20 -161.94 157.9 24.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.163 . . . . 0.0 110.259 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 116.94 35.36 1.14 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.569 1.168 . . . . 0.0 111.006 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.401 ' O ' ' NE ' ' A' ' 112' ' ' ARG . 12.7 m-20 43.72 53.53 5.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 0.744 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.8 HD23 ' HB2' ' A' ' 105' ' ' GLN . 1.3 mp -75.13 -166.45 0.5 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.325 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.554 ' CD1' ' HD3' ' A' ' 112' ' ' ARG . 13.1 p90 -161.72 171.55 17.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.985 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.489 ' NZ ' HD11 ' A' ' 95' ' ' ILE . 0.0 OUTLIER -137.31 164.01 29.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.407 ' HA ' ' O ' ' A' ' 70' ' ' LEU . 72.6 t -122.86 111.93 31.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.503 HG23 ' CE1' ' A' ' 101' ' ' HIS . 77.5 mt -90.82 106.64 17.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 47.3 p -80.96 -179.06 7.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.434 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.08 -12.27 48.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -100.97 13.61 34.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 43.87 42.33 4.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.282 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 15.9 m -73.62 -51.09 17.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.427 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.503 ' CE1' HG23 ' A' ' 95' ' ' ILE . 0.5 OUTLIER 77.44 84.79 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.61 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -91.8 108.46 19.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.949 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.46 ' CE2' HG21 ' A' ' 83' ' ' VAL . 7.1 m-85 -75.35 131.34 40.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 111.026 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.489 ' HB ' ' CZ ' ' A' ' 92' ' ' PHE . 60.7 mt -135.47 164.46 32.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.8 ' HB2' HD23 ' A' ' 91' ' ' LEU . 38.9 tt0 -134.61 146.37 49.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.315 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.608 ' HB2' ' HA ' ' A' ' 112' ' ' ARG . . . -103.21 170.23 8.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.253 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -85.21 -45.69 11.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 110.028 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.7 m -121.35 147.98 44.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 109.962 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.65 -53.87 2.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.256 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -60.23 -49.74 76.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.547 ' HB3' ' HB1' ' A' ' 106' ' ' ALA . 0.5 OUTLIER -43.49 -39.73 3.5 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.451 1.094 . . . . 0.0 110.318 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.64 HH11 ' N ' ' A' ' 113' ' ' ALA . 0.0 OUTLIER -62.52 -70.22 0.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 110.282 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.64 ' N ' HH11 ' A' ' 112' ' ' ARG . . . -44.7 -38.6 4.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -54.32 -68.29 0.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 110.325 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' TRP . . . . . 0.591 ' NE1' HD21 ' A' ' 24' ' ' LEU . 79.2 m95 -46.23 -45.05 16.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 108.029 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.462 HD11 ' CD ' ' A' ' 112' ' ' ARG . 37.2 mt -52.56 -76.63 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.344 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -42.01 -41.93 2.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.308 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.407 ' HB3' ' O ' ' A' ' 115' ' ' TRP . . . -54.98 -65.18 0.63 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.425 HG23 HD22 ' A' ' 66' ' ' LEU . 87.6 mt -44.61 -56.07 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.479 ' HG2' ' CG1' ' A' ' 71' ' ' VAL . 21.6 mttt -40.93 -54.77 2.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 17.6 mttt -41.07 -60.01 1.33 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.466 HD12 ' CB ' ' A' ' 46' ' ' ALA . 0.8 OUTLIER -49.39 -55.52 12.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.265 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 123' ' ' THR . . . . . 0.459 HG22 ' HG ' ' A' ' 69' ' ' SER . 69.0 p -66.09 71.44 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.429 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 122' ' ' LEU . 0.5 OUTLIER 46.98 86.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 110.01 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -142.57 125.52 2.66 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.518 1.136 . . . . 0.0 111.041 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 156.26 42.95 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.495 1.787 . . . . 0.0 111.005 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 3.1 m -92.5 135.44 34.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 110.013 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -71.93 154.11 41.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.998 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.459 1.099 . . . . 0.0 110.979 179.998 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.9 m -73.54 122.28 21.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 0.757 . . . . 0.0 110.023 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -140.28 -58.42 0.54 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.546 1.154 . . . . 0.0 110.011 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.54 136.59 24.88 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.503 1.127 . . . . 0.0 111.014 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.34 103.95 14.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 0.79 . . . . 0.0 109.985 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.31 106.58 0.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.966 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -91.06 -154.07 30.13 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.502 1.126 . . . . 0.0 111.015 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -116.17 97.84 6.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 0.778 . . . . 0.0 110.007 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -134.06 77.92 1.73 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.261 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 57.51 108.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.975 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.455 ' CG2' ' HB2' ' A' ' 14' ' ' LEU . 1.5 m 69.08 142.86 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 110.41 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.775 HG13 ' H ' ' A' ' 13' ' ' GLU . 1.7 p -145.16 -68.06 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.318 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.775 ' H ' HG13 ' A' ' 12' ' ' VAL . 72.4 mt-10 -64.7 -34.71 78.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.285 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.608 HD12 ' N ' ' A' ' 14' ' ' LEU . 2.4 mp -81.63 -9.73 59.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 109.313 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.36 61.84 5.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.148 . . . . 0.0 110.002 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -132.98 157.54 22.69 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.525 1.141 . . . . 0.0 111.037 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.4 m -67.72 119.49 12.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 0.771 . . . . 0.0 110.403 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.459 HG13 ' HG3' ' A' ' 21' ' ' GLN . 2.2 t -59.38 124.28 13.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 0.0 109.335 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.507 HG13 ' HG2' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -112.41 -32.01 2.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 0.0 109.297 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.517 ' HG2' ' CD2' ' A' ' 115' ' ' TRP . 5.0 tptt -151.09 141.19 22.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.331 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.682 ' NE2' HG23 ' A' ' 40' ' ' VAL . 7.1 mt-30 -145.58 153.72 41.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.117 . . . . 0.0 110.278 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 156.43 -163.93 32.27 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.541 1.151 . . . . 0.0 111.025 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.449 ' CE1' ' HB2' ' A' ' 38' ' ' ARG . 82.2 m-85 -118.76 126.15 51.21 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.548 0.793 . . . . 0.0 111.01 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.613 HD12 ' CG ' ' A' ' 39' ' ' PHE . 25.1 mt -117.64 169.24 9.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.763 ' HB3' ' HB3' ' A' ' 105' ' ' GLN . . . -117.22 106.51 13.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 25.8 tttm -87.9 108.78 19.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.142 . . . . 0.0 109.302 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.48 ' HG3' ' CE2' ' A' ' 34' ' ' TRP . 0.0 OUTLIER -59.26 144.15 47.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.436 1.085 . . . . 0.0 110.3 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -148.91 -145.72 4.19 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.515 1.135 . . . . 0.0 111.003 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -141.36 135.22 30.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 0.776 . . . . 0.0 109.556 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 73.7 148.63 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.573 1.171 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.2 mtt180 53.0 82.67 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.289 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.0 mmtp 68.08 143.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 32.6 m-20 -78.96 -49.2 13.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.312 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.48 ' CE2' ' HG3' ' A' ' 27' ' ' GLN . 82.1 m95 -113.67 113.87 25.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 108.031 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.13 122.45 42.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.152 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.6 t -73.18 142.57 14.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.447 ' HD2' HG21 ' A' ' 61' ' ' VAL . 1.5 tpp180 -152.05 152.29 32.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.58 1.175 . . . . 0.0 110.315 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.47 ' O ' ' HA ' ' A' ' 50' ' ' TYR . 0.5 OUTLIER -83.18 103.3 12.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 110.285 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.613 ' CG ' HD12 ' A' ' 24' ' ' LEU . 11.2 m-85 -96.46 138.06 34.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.449 1.093 . . . . 0.0 111.005 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.917 HG12 ' O ' ' A' ' 49' ' ' HIS . 14.6 p -122.64 136.45 59.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.66 ' HG ' HD13 ' A' ' 48' ' ' LEU . 0.5 OUTLIER -109.58 119.32 39.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 109.326 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.417 ' NH1' ' HB3' ' A' ' 14' ' ' LEU . 46.5 mtt180 -119.95 155.57 32.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.117 . . . . 0.0 110.294 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.523 ' CB ' HD11 ' A' ' 122' ' ' LEU . 0.4 OUTLIER -136.29 144.71 44.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.483 ' N ' ' C ' ' A' ' 45' ' ' PRO . 0.2 OUTLIER 47.92 78.05 0.42 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.262 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.483 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.3 Cg_endo -75.01 171.84 66.06 Favored 'Cis proline' 0 C--N 1.36 1.146 0 C-N-CA 120.997 -2.501 . . . . 0.0 111.012 0.001 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.63 ' HB2' HD12 ' A' ' 122' ' ' LEU . . . -98.15 105.48 17.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 109.258 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.518 ' CG ' ' HB3' ' A' ' 13' ' ' GLU . 21.0 m-85 -153.29 148.59 26.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 110.974 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.77 HD12 ' O ' ' A' ' 40' ' ' VAL . 9.4 tp -123.61 113.82 19.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 109.337 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.917 ' O ' HG12 ' A' ' 40' ' ' VAL . 65.2 m-70 -121.99 153.23 38.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 109.627 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.47 ' HA ' ' O ' ' A' ' 38' ' ' ARG . 22.7 p90 -139.04 149.22 44.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.568 1.167 . . . . 0.0 110.97 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.826 ' HA ' HG23 ' A' ' 61' ' ' VAL . 23.7 m-85 -124.17 155.12 39.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 110.973 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.442 ' OD2' ' N ' ' A' ' 55' ' ' LYS . 21.4 t0 -80.4 126.68 78.23 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.286 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 1.51 7.67 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.514 1.797 . . . . 0.0 110.976 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.0 m -104.83 -47.82 3.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.976 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.442 ' N ' ' OD2' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -70.74 -177.06 1.46 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -156.98 97.45 1.68 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 110.312 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -161.17 150.0 16.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.125 . . . . 0.0 110.262 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -76.54 62.94 1.98 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.494 ' CD ' ' HD2' ' A' ' 60' ' ' PRO . 0.0 OUTLIER -171.54 140.49 1.21 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.315 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.547 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 18.4 Cg_endo -74.98 157.22 42.97 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.501 1.79 . . . . 0.0 111.046 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.826 HG23 ' HA ' ' A' ' 51' ' ' TYR . 2.3 t -67.71 -26.08 34.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -166.5 -111.77 0.25 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.454 1.096 . . . . 0.0 111.017 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 100.3 131.81 7.51 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.825 ' CE2' HG11 ' A' ' 94' ' ' VAL . 30.9 p90 -127.96 156.44 42.66 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 0.79 . . . . 0.0 110.992 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 20.8 p -63.08 165.57 6.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.548 1.155 . . . . 0.0 109.999 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.806 ' O ' HG22 ' A' ' 123' ' ' THR . 54.3 mt -119.89 -39.45 2.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 109.263 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.453 ' NH1' ' O ' ' A' ' 122' ' ' LEU . 0.0 OUTLIER -42.04 -59.04 1.88 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 110.259 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -98.28 54.94 1.12 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 19.6 m -145.05 -176.74 5.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 0.736 . . . . 0.0 110.024 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.607 HD22 HD12 ' A' ' 95' ' ' ILE . 1.8 tt -153.21 158.3 41.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.615 HG13 ' HD2' ' A' ' 120' ' ' LYS . 7.6 p -133.14 153.1 36.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 74.0 m -162.08 155.59 20.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.977 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -92.55 158.8 15.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.816 HD12 ' HB2' ' A' ' 91' ' ' LEU . 6.7 mt -104.99 150.12 25.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.27 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 174.42 122.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.254 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -179.19 65.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.5 t30 74.23 -67.22 0.27 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.428 1.08 . . . . 0.0 109.262 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -156.9 -75.99 0.02 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.473 1.108 . . . . 0.0 110.978 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.418 HG13 ' HD2' ' A' ' 80' ' ' PRO . 68.0 t -68.25 135.22 91.24 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.528 0.781 . . . . 0.0 109.348 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.418 ' HD2' HG13 ' A' ' 79' ' ' VAL . 18.3 Cg_endo -75.02 -68.69 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.493 1.786 . . . . 0.0 110.987 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.7 m -153.48 -77.82 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 110.42 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -112.59 65.5 0.26 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.5 1.125 . . . . 0.0 111.013 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 79.7 t -139.18 99.24 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.44 0.729 . . . . 0.0 109.325 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.05 154.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 62.24 -95.27 0.11 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.506 1.129 . . . . 0.0 111.011 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 5.1 p30 171.5 138.13 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 0.768 . . . . 0.0 109.315 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.584 ' HB ' HD13 ' A' ' 91' ' ' LEU . 21.3 m -60.08 177.11 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.442 1.089 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 50.0 mm-40 -70.17 -80.21 0.05 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.102 . . . . 0.0 110.306 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.559 ' H ' HD11 ' A' ' 91' ' ' LEU . . . 167.07 152.37 7.36 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.473 1.108 . . . . 0.0 110.997 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 62.6 m-80 47.66 54.61 9.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 0.749 . . . . 0.0 109.319 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.816 ' HB2' HD12 ' A' ' 74' ' ' LEU . 1.1 mp -105.14 -169.78 1.66 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.608 ' HB3' HD11 ' A' ' 116' ' ' ILE . 8.9 p90 -161.62 154.97 21.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 110.964 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.679 ' NZ ' HD11 ' A' ' 95' ' ' ILE . 0.0 OUTLIER -123.13 164.91 17.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.327 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.825 HG11 ' CE2' ' A' ' 64' ' ' PHE . 58.1 t -129.31 117.03 42.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.679 HD11 ' NZ ' ' A' ' 93' ' ' LYS . 11.2 mt -95.61 108.84 21.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 18.8 p -83.46 179.03 7.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.417 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.93 -19.44 51.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.38 10.49 17.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 33.4 t70 55.9 31.66 18.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.11 . . . . 0.0 109.304 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 60.1 m -97.03 120.28 37.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.4 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.577 ' CD2' ' HE2' ' A' ' 93' ' ' LYS . 1.5 m-70 -86.95 109.38 19.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 109.658 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.401 ' O ' ' HA ' ' A' ' 93' ' ' LYS . 48.8 m-85 -98.11 102.92 14.8 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 1.132 . . . . 0.0 111.013 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -73.82 123.36 24.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 111.04 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.53 ' HB ' ' CZ ' ' A' ' 92' ' ' PHE . 47.6 mt -133.86 146.59 31.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.763 ' HB3' ' HB3' ' A' ' 25' ' ' ALA . 47.7 tt0 -105.9 146.71 29.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.288 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.509 ' HB1' ' HB3' ' A' ' 111' ' ' GLU . . . -102.75 155.71 18.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 14.7 t -53.11 -50.85 63.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 109.99 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -134.46 -178.84 5.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.998 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.21 -31.69 72.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -77.7 -50.42 12.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.509 ' HB3' ' HB1' ' A' ' 106' ' ' ALA . 0.6 OUTLIER -45.18 -37.98 4.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 110.29 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.443 ' HG2' HD12 ' A' ' 116' ' ' ILE . 3.1 ttp180 -58.67 -68.48 0.26 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 110.321 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -45.28 -42.24 9.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -64.19 -53.14 54.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 110.299 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' TRP . . . . . 0.517 ' CD2' ' HG2' ' A' ' 20' ' ' LYS . 55.7 m95 -58.6 -32.18 68.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 108.027 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.608 HD11 ' HB3' ' A' ' 92' ' ' PHE . 75.5 mt -74.64 -75.85 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 116' ' ' ILE . 2.3 tt0 -34.76 -43.69 0.19 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 110.318 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.467 ' HB1' HD13 ' A' ' 41' ' ' LEU . . . -54.72 -63.75 1.05 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.332 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.547 HG21 ' HB ' ' A' ' 71' ' ' VAL . 38.8 mt -43.75 -59.84 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.615 ' HD2' HG13 ' A' ' 71' ' ' VAL . 0.0 OUTLIER -38.87 -49.12 1.63 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.327 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -49.31 -60.87 2.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 109.311 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.63 HD12 ' HB2' ' A' ' 46' ' ' ALA . 1.1 mm? -50.08 -56.68 9.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.284 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' THR . . . . . 0.806 HG22 ' O ' ' A' ' 66' ' ' LEU . 23.0 p -74.01 84.3 1.77 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 110.377 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' SER . . . . . 0.415 ' CB ' ' O ' ' A' ' 123' ' ' THR . 0.2 OUTLIER 79.8 101.3 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.98 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 164.47 70.33 0.02 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.444 1.09 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 109.4 2.92 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.517 1.798 . . . . 0.0 111.004 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.6 m 56.77 93.93 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 110.032 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 24.9 p -157.5 -54.65 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.103 . . . . 0.0 109.976 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.526 1.141 . . . . 0.0 111.003 179.998 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 64.87 145.35 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 0.752 . . . . 0.0 109.988 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.5 p -102.01 134.38 45.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 110.004 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 116.37 129.47 4.39 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.491 1.119 . . . . 0.0 111.01 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.45 150.94 0.45 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 0.797 . . . . 0.0 109.992 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -156.92 121.0 4.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.993 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.35 -172.48 28.76 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.546 1.154 . . . . 0.0 111.005 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.4 m 54.75 96.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 0.793 . . . . 0.0 109.991 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -147.26 106.3 3.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 38.1 m -48.03 102.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.988 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.433 ' CG2' ' HB2' ' A' ' 14' ' ' LEU . 4.4 m -42.64 161.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 110.419 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.764 HG13 ' H ' ' A' ' 13' ' ' GLU . 1.1 p -147.25 -75.21 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.764 ' H ' HG13 ' A' ' 12' ' ' VAL . 41.0 mt-10 -61.77 -42.48 99.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.338 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.688 HD21 ' CG ' ' A' ' 49' ' ' HIS . 5.7 mt -80.91 -6.75 59.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.15 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 13.7 p -88.53 48.36 1.62 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 110.012 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -121.04 155.81 16.25 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.507 1.129 . . . . 0.0 110.997 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.406 ' O ' ' HA ' ' A' ' 42' ' ' ARG . 5.8 m -70.16 128.21 35.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 0.737 . . . . 0.0 110.383 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.482 HG13 ' HG3' ' A' ' 21' ' ' GLN . 2.1 t -62.5 121.46 11.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.402 ' CG1' ' HE2' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -111.97 -31.71 2.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.534 ' HG2' ' CD2' ' A' ' 115' ' ' TRP . 2.5 tptt -149.51 141.17 23.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.842 ' NE2' HG23 ' A' ' 40' ' ' VAL . 6.4 mt-30 -146.99 151.36 36.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.288 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 156.57 -177.84 33.33 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.502 1.127 . . . . 0.0 111.016 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.472 ' CZ ' ' HD3' ' A' ' 38' ' ' ARG . 42.5 m-85 -106.86 134.46 49.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.564 0.803 . . . . 0.0 111.025 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.652 HD22 ' O ' ' A' ' 105' ' ' GLN . 15.4 mt -127.49 172.48 10.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.335 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.471 ' HB3' ' HB3' ' A' ' 105' ' ' GLN . . . -115.27 102.03 9.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 53.1 tttt -90.29 104.38 16.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.107 . . . . 0.0 109.314 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.413 ' HB2' ' CE2' ' A' ' 34' ' ' TRP . 0.0 OUTLIER -45.3 -60.39 2.16 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.519 1.137 . . . . 0.0 110.269 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 45.88 71.18 0.53 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.452 1.095 . . . . 0.0 110.973 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -49.17 110.68 0.39 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 0.776 . . . . 0.0 109.578 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.82 -44.24 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.332 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.419 ' NH1' ' HB3' ' A' ' 31' ' ' ARG . 1.7 mtp-105 -157.92 -55.12 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 110.285 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.69 121.83 33.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.463 ' O ' ' CD1' ' A' ' 34' ' ' TRP . 25.6 m120 -44.16 -54.66 5.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.324 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.592 ' CE2' ' CG1' ' A' ' 87' ' ' VAL . 39.3 m95 -147.3 135.01 21.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 108.014 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.16 135.37 39.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.1 t -65.09 141.18 18.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 109.276 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.45 ' HB2' ' NH1' ' A' ' 37' ' ' ARG . 0.0 OUTLIER -147.69 134.57 20.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 110.274 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.472 ' HD3' ' CZ ' ' A' ' 23' ' ' TYR . 0.2 OUTLIER -75.33 103.86 5.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 110.302 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.497 ' CG ' HD12 ' A' ' 24' ' ' LEU . 12.6 m-85 -97.26 134.45 40.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 110.989 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 1.02 ' O ' HD12 ' A' ' 48' ' ' LEU . 12.0 p -118.76 141.04 40.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.34 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.82 ' HG ' HD13 ' A' ' 48' ' ' LEU . 0.4 OUTLIER -115.97 133.83 55.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.406 ' HA ' ' O ' ' A' ' 17' ' ' THR . 75.4 mtt-85 -133.33 173.26 11.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 45' ' ' PRO . 2.0 pttt -149.65 143.64 25.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.296 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.493 ' N ' ' C ' ' A' ' 45' ' ' PRO . 15.2 t0 50.55 77.14 0.48 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 109.321 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.493 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.1 Cg_endo -75.07 171.49 67.83 Favored 'Cis proline' 0 C--N 1.36 1.133 0 C-N-CA 121.017 -2.493 . . . . 0.0 110.98 0.056 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.58 ' CB ' HD12 ' A' ' 122' ' ' LEU . . . -97.71 105.67 17.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.357 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.528 ' CE2' ' OE1' ' A' ' 13' ' ' GLU . 25.8 m-85 -152.45 167.82 27.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 111.005 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 1.02 HD12 ' O ' ' A' ' 40' ' ' VAL . 5.7 tp -142.23 113.64 7.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.72 ' O ' HG12 ' A' ' 40' ' ' VAL . 37.2 m-70 -116.23 165.3 13.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.609 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.624 ' C ' ' CD1' ' A' ' 51' ' ' TYR . 4.1 p90 -145.48 -175.31 4.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.984 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.855 ' HA ' HG23 ' A' ' 61' ' ' VAL . 29.5 m-85 -157.94 148.35 20.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 111.036 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -82.28 122.5 79.29 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -11.78 21.41 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.502 1.79 . . . . 0.0 111.006 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 18.0 t -80.4 -28.99 37.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 110.027 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.5 mmtp -97.87 -172.08 2.3 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.436 1.085 . . . . 0.0 109.298 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -150.91 99.09 2.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 110.262 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -155.71 163.58 39.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.306 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -95.53 23.11 6.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 18.7 mmt85 -129.86 145.8 58.65 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 110.295 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.611 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 18.4 Cg_endo -74.95 159.81 41.07 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.481 1.779 . . . . 0.0 111.002 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.855 HG23 ' HA ' ' A' ' 51' ' ' TYR . 2.8 t -75.32 -30.37 22.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.354 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -163.81 -117.07 0.4 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.471 1.107 . . . . 0.0 111.024 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 114.22 129.38 4.81 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.635 ' CE1' HD23 ' A' ' 48' ' ' LEU . 16.5 p90 -123.64 162.11 23.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 0.771 . . . . 0.0 111.016 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.3 p -74.82 156.54 36.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 109.997 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.69 ' O ' HG22 ' A' ' 123' ' ' THR . 54.2 mt -108.98 -36.42 6.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.2 OUTLIER -37.84 -70.44 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.308 179.929 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -90.73 53.36 3.36 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.518 1.136 . . . . 0.0 111.02 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 36.8 m -132.82 -174.96 3.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 0.76 . . . . 0.0 110.016 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.993 HD13 ' N ' ' A' ' 71' ' ' VAL . 3.2 tm? -155.74 154.7 31.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.993 ' N ' HD13 ' A' ' 70' ' ' LEU . 7.5 p -138.39 140.39 39.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.9 m -148.86 164.7 33.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.011 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -100.33 160.53 14.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.79 HD12 ' HB2' ' A' ' 91' ' ' LEU . 2.4 mt -103.97 136.27 43.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 109.284 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -172.81 174.73 3.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.305 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 70.84 -61.85 0.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.312 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -91.4 126.54 36.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 109.286 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -60.68 -95.88 0.01 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.499 1.124 . . . . 0.0 111.039 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.692 HG22 ' HB2' ' A' ' 86' ' ' ASN . 72.2 t -75.93 137.81 69.42 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.517 0.775 . . . . 0.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.892 ' HG2' HG21 ' A' ' 83' ' ' VAL . 18.2 Cg_endo -75.01 -177.81 3.73 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.478 1.778 . . . . 0.0 110.989 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 83' ' ' VAL . 7.2 m -49.7 124.46 9.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.405 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.409 ' O ' ' O ' ' A' ' 83' ' ' VAL . . . 51.88 -89.06 0.01 OUTLIER Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.474 1.109 . . . . 0.0 111.015 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.892 HG21 ' HG2' ' A' ' 80' ' ' PRO . 6.9 t 41.51 91.18 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.467 0.745 . . . . 0.0 109.288 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 83' ' ' VAL . 12.2 mmtt -38.89 -61.42 0.74 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -67.58 -145.57 0.1 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.521 1.138 . . . . 0.0 110.966 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.692 ' HB2' HG22 ' A' ' 79' ' ' VAL . 7.6 p-10 175.79 107.04 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.565 0.803 . . . . 0.0 109.333 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.592 ' CG1' ' CE2' ' A' ' 34' ' ' TRP . 6.8 m -87.97 -172.26 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.329 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.629 ' O ' HD11 ' A' ' 91' ' ' LEU . 2.3 pp0? -162.89 -171.9 2.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.313 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 92.98 -71.98 1.42 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.47 1.107 . . . . 0.0 110.996 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.408 ' HB3' ' NH1' ' A' ' 112' ' ' ARG . 11.7 m120 -170.87 -62.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 0.773 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.79 ' HB2' HD12 ' A' ' 74' ' ' LEU . 1.1 mp 51.54 -176.05 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.611 ' HB3' HD11 ' A' ' 116' ' ' ILE . 37.9 p90 -163.2 160.28 23.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 111.023 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.75 159.4 26.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.512 HG11 ' CE2' ' A' ' 64' ' ' PHE . 59.1 t -129.51 113.73 28.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 12.9 mt -92.56 103.79 14.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.265 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 81.1 p -81.51 177.01 9.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.421 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.89 -19.05 10.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -89.19 15.29 9.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 51.14 23.59 1.64 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.1 . . . . 0.0 109.331 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 89.0 m -88.71 122.12 31.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.379 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -88.9 105.79 17.98 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.546 1.154 . . . . 0.0 109.569 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 -94.91 101.96 13.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.569 1.168 . . . . 0.0 110.99 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -77.66 121.23 23.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.934 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.518 HG22 ' N ' ' A' ' 105' ' ' GLN . 61.4 mt -126.37 166.64 22.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.652 ' O ' HD22 ' A' ' 24' ' ' LEU . 16.9 tt0 -121.29 148.95 43.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.327 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.494 ' HB1' ' HB3' ' A' ' 111' ' ' GLU . . . -112.66 157.22 21.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.02 -51.98 62.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 109.984 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -134.37 -175.96 4.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 110.012 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.19 -36.71 84.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -72.93 -51.51 18.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.494 ' HB3' ' HB1' ' A' ' 106' ' ' ALA . 1.2 tp10 -45.09 -36.54 3.67 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 110.338 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.434 ' HA ' ' HB2' ' A' ' 106' ' ' ALA . 17.5 ttp180 -59.3 -67.88 0.33 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 110.319 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 117' ' ' GLU . . . -46.44 -45.67 18.28 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -49.51 -57.86 6.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 110.3 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' TRP . . . . . 0.534 ' CD2' ' HG2' ' A' ' 20' ' ' LYS . 72.9 m95 -59.62 -45.67 91.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 108.039 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.611 HD11 ' HB3' ' A' ' 92' ' ' PHE . 42.5 mt -56.17 -77.59 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 113' ' ' ALA . 2.2 tt0 -39.66 -41.32 1.04 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 110.307 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.407 ' HB3' ' O ' ' A' ' 115' ' ' TRP . . . -54.24 -56.5 17.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 10.4 mt -57.04 -51.85 63.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.496 ' CG ' ' CG1' ' A' ' 71' ' ' VAL . 19.3 mttt -44.79 -36.37 3.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.132 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.445 ' CG ' ' O ' ' A' ' 117' ' ' GLU . 11.3 mttt -60.64 -61.04 2.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.293 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.58 HD12 ' CB ' ' A' ' 46' ' ' ALA . 0.8 OUTLIER -47.39 -58.84 3.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.112 . . . . 0.0 109.271 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 123' ' ' THR . . . . . 0.69 HG22 ' O ' ' A' ' 66' ' ' LEU . 43.1 p -54.97 -39.6 69.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.438 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 4.8 t 167.22 96.4 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 109.995 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' GLY . . . . . 0.43 ' CA ' ' HA ' ' A' ' 121' ' ' LYS . . . -97.42 122.43 7.45 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.528 1.143 . . . . 0.0 110.989 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 164.52 33.17 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.511 1.795 . . . . 0.0 111.005 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 99.0 p -76.68 121.99 24.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.981 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 57.76 169.77 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 110.007 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 O-C-N 124.483 1.114 . . . . 0.0 110.987 179.994 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.66 127.98 33.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 0.762 . . . . 0.0 110.022 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.8 p -113.89 157.42 22.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.983 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.06 176.88 17.01 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.3 t -175.38 156.99 2.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 0.756 . . . . 0.0 109.982 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.63 -58.72 0.29 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 109.985 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 117.04 143.57 7.61 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.478 1.111 . . . . 0.0 111.01 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -174.89 -58.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 0.787 . . . . 0.0 109.99 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 62.77 58.71 1.52 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.9 t -164.51 102.7 0.82 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.008 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 63.8 m -92.24 166.31 12.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 110.373 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.72 HG13 ' H ' ' A' ' 13' ' ' GLU . 0.7 OUTLIER -148.14 -76.47 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.72 ' H ' HG13 ' A' ' 12' ' ' VAL . 43.9 mt-10 -55.69 -43.52 76.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.323 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.446 ' O ' ' NH1' ' A' ' 42' ' ' ARG . 0.9 OUTLIER -84.38 -13.29 52.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 9.4 t -81.63 62.35 5.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.437 1.086 . . . . 0.0 109.996 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.404 ' HA2' ' O ' ' A' ' 44' ' ' ASP . . . -141.55 170.47 24.74 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.526 1.141 . . . . 0.0 110.98 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.475 ' CB ' ' HD3' ' A' ' 43' ' ' LYS . 6.6 m -76.84 144.33 39.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 0.769 . . . . 0.0 110.369 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.418 HG13 ' HG3' ' A' ' 21' ' ' GLN . 2.1 t -80.43 128.59 38.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.289 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.72 HG13 ' CE ' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -111.31 -43.45 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.315 179.928 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.537 ' HG2' ' CD2' ' A' ' 115' ' ' TRP . 4.3 tptt -144.96 140.52 28.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.764 ' HG2' HG23 ' A' ' 40' ' ' VAL . 30.6 mt-30 -145.23 148.95 34.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.433 1.083 . . . . 0.0 110.302 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 162.85 -160.15 32.57 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.446 1.091 . . . . 0.0 110.993 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.554 ' CE2' ' HB2' ' A' ' 38' ' ' ARG . 68.9 m-85 -119.77 121.5 39.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 0.762 . . . . 0.0 111.015 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.688 HD22 ' O ' ' A' ' 105' ' ' GLN . 39.6 mt -114.18 169.45 9.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.634 ' HB3' ' HB3' ' A' ' 105' ' ' GLN . . . -118.5 106.35 12.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 109.25 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 60.8 tttt -88.67 113.98 24.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.516 ' HB2' ' CE2' ' A' ' 34' ' ' TRP . 10.3 tt0 -41.71 121.67 1.8 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 110.268 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.55 -44.41 96.61 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.501 1.126 . . . . 0.0 111.006 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 7.6 t-160 73.33 -71.73 0.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 0.778 . . . . 0.0 109.552 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 31' ' ' ARG . 1.4 tptt -97.53 -70.67 0.71 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.143 . . . . 0.0 109.318 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -38.6 -58.94 0.98 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 0.0 110.284 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.89 -171.32 3.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.113 . . . . 0.0 109.266 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.431 ' O ' ' CD1' ' A' ' 34' ' ' TRP . 69.7 m-80 -72.73 -67.64 0.54 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.312 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.516 ' CE2' ' HB2' ' A' ' 27' ' ' GLN . 24.6 m95 -144.18 129.52 18.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 108.051 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.401 ' O ' ' HA ' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -118.93 136.85 53.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.279 -179.934 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.4 t -82.61 139.43 17.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.5 ttp180 -149.9 149.3 30.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.291 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.554 ' HB2' ' CE2' ' A' ' 23' ' ' TYR . 9.9 ttp180 -78.67 102.91 8.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.436 1.085 . . . . 0.0 110.351 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.558 ' CD1' ' HB2' ' A' ' 24' ' ' LEU . 16.2 m-85 -95.83 140.41 30.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 111.039 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.945 ' O ' HD12 ' A' ' 48' ' ' LEU . 12.0 p -123.48 137.93 55.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.848 ' HG ' HD13 ' A' ' 48' ' ' LEU . 0.7 OUTLIER -112.28 114.77 27.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.446 ' NH1' ' O ' ' A' ' 14' ' ' LEU . 1.7 mtt180 -117.22 150.28 39.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.329 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.72 ' CE ' HG13 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -124.77 154.25 41.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.458 ' HA ' ' HA ' ' A' ' 45' ' ' PRO . 1.2 t70 41.33 79.8 0.31 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.265 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.483 ' CG ' ' O ' ' A' ' 12' ' ' VAL . 18.4 Cg_endo -74.97 170.33 72.12 Favored 'Cis proline' 0 C--N 1.36 1.174 0 C-N-CA 120.979 -2.509 . . . . 0.0 111.026 -0.049 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.43 ' HB1' ' HB3' ' A' ' 122' ' ' LEU . . . -95.13 106.7 18.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 109.258 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.422 ' CD1' ' O ' ' A' ' 46' ' ' ALA . 45.5 m-85 -152.34 178.38 9.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.984 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.945 HD12 ' O ' ' A' ' 40' ' ' VAL . 10.0 tp -151.96 119.57 6.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.615 ' O ' HG12 ' A' ' 40' ' ' VAL . 48.5 m-70 -125.09 163.8 21.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 109.587 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.612 ' C ' ' CD1' ' A' ' 51' ' ' TYR . 1.8 p90 -139.55 -177.39 4.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.964 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.768 ' HA ' HG23 ' A' ' 61' ' ' VAL . 32.3 m-85 -158.71 146.16 17.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 111.003 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.404 ' HB3' ' HB2' ' A' ' 55' ' ' LYS . 62.8 t0 -78.53 123.86 85.5 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 0.31 9.08 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.521 1.801 . . . . 0.0 111.009 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 11.2 t -101.55 -48.42 4.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 110.034 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.404 ' HB2' ' HB3' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -67.86 -176.5 0.67 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.258 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -151.7 103.1 2.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 110.304 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -158.83 173.55 16.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.313 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 73.1 m-80 -102.7 27.64 6.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.337 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 41.2 mmt-85 -140.39 148.83 55.42 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.462 1.101 . . . . 0.0 110.364 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.59 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 18.3 Cg_endo -74.97 162.51 37.06 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.537 1.809 . . . . 0.0 111.047 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.768 HG23 ' HA ' ' A' ' 51' ' ' TYR . 2.1 t -70.88 -28.1 32.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -167.92 -118.22 0.43 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.457 1.098 . . . . 0.0 111.038 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.42 ' N ' ' CE1' ' A' ' 50' ' ' TYR . . . 113.27 134.19 5.97 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.721 ' CE2' HG11 ' A' ' 94' ' ' VAL . 11.3 p90 -128.38 161.87 28.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 0.752 . . . . 0.0 110.996 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -75.91 150.44 37.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.987 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.576 ' O ' HG22 ' A' ' 123' ' ' THR . 29.1 mt -102.67 -32.32 9.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 109.29 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -38.25 -57.91 1.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 110.297 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -102.87 42.92 1.78 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.479 1.112 . . . . 0.0 110.989 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.409 ' OG ' ' HA ' ' A' ' 66' ' ' LEU . 4.6 p -121.31 -174.37 2.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 0.775 . . . . 0.0 110.013 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 95' ' ' ILE . 0.8 OUTLIER -155.26 168.52 26.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.567 ' CG1' ' HG3' ' A' ' 120' ' ' LYS . 8.1 p -153.44 145.49 14.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.327 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 13.7 m -161.63 160.81 29.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.991 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -93.9 135.78 34.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.81 HD22 ' CE2' ' A' ' 103' ' ' TYR . 1.6 mt -72.24 107.7 5.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.132 . . . . 0.0 109.25 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -99.58 -170.39 1.89 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 110.335 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.8 t70 56.47 89.41 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 109.298 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -44.2 163.5 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 98.59 173.37 32.22 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.501 1.126 . . . . 0.0 111.018 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.481 HG22 ' N ' ' A' ' 86' ' ' ASN . 90.8 t -68.0 121.75 81.14 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.466 0.744 . . . . 0.0 109.336 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.798 ' HG2' HG21 ' A' ' 83' ' ' VAL . 18.4 Cg_endo -75.01 131.96 14.86 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.472 1.775 . . . . 0.0 110.982 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 83.3 m 43.95 -107.77 0.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.368 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -132.69 46.37 1.07 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.513 1.133 . . . . 0.0 110.96 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.798 HG21 ' HG2' ' A' ' 80' ' ' PRO . 11.6 t -62.83 -16.18 16.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.536 0.786 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 12.9 mttt 50.32 65.23 1.5 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 109.309 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 132.65 92.36 0.52 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.485 1.116 . . . . 0.0 111.022 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.481 ' N ' HG22 ' A' ' 79' ' ' VAL . 11.4 t30 -39.69 117.54 0.75 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 0.787 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.518 ' HB ' HD13 ' A' ' 91' ' ' LEU . 2.5 m -53.9 -172.87 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.265 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -61.64 -99.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.558 1.161 . . . . 0.0 110.295 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -104.28 -109.26 3.37 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.464 1.103 . . . . 0.0 110.966 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -88.15 -62.53 1.47 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 0.77 . . . . 0.0 109.296 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.765 ' HB2' HD12 ' A' ' 74' ' ' LEU . 1.9 mp 65.62 -171.06 0.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.329 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.661 ' HB3' HD11 ' A' ' 116' ' ' ILE . 27.8 p90 -151.71 165.51 34.15 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.135 . . . . 0.0 110.965 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.615 ' HB3' HD21 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -121.86 166.75 13.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.721 HG11 ' CE2' ' A' ' 64' ' ' PHE . 76.6 t -132.6 100.7 4.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.266 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.902 HG23 ' CD2' ' A' ' 101' ' ' HIS . 40.7 mt -85.54 117.54 30.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.125 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 44.0 p -88.69 -166.65 1.65 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.575 1.172 . . . . 0.0 110.439 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.05 -9.71 59.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 0.0 109.308 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -100.6 4.3 43.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.488 ' C ' ' CD2' ' A' ' 101' ' ' HIS . 1.8 t70 56.38 36.6 27.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.272 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.476 HG21 ' CE2' ' A' ' 102' ' ' TYR . 50.2 m -70.09 -57.38 5.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 110.43 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.902 ' CD2' HG23 ' A' ' 95' ' ' ILE . 4.0 m170 79.88 94.93 0.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.097 . . . . 0.0 109.573 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.476 ' CE2' HG21 ' A' ' 100' ' ' THR . 59.6 m-85 -103.21 115.34 30.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 110.998 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.81 ' CE2' HD22 ' A' ' 74' ' ' LEU . 3.5 m-85 -81.19 114.57 20.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 111.021 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.561 ' HB ' ' CZ ' ' A' ' 92' ' ' PHE . 66.2 mt -117.48 165.19 13.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.688 ' O ' HD22 ' A' ' 24' ' ' LEU . 66.0 tt0 -121.15 158.52 27.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.281 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.548 ' HB1' ' HB3' ' A' ' 111' ' ' GLU . . . -114.45 151.12 33.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.294 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 42.9 t -52.32 -48.68 65.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 110.005 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.4 156.43 47.6 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 109.988 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.43 -38.94 0.9 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -68.87 -58.8 3.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.548 ' HB3' ' HB1' ' A' ' 106' ' ' ALA . 0.8 OUTLIER -39.17 -39.36 0.59 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.322 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.527 ' HA ' ' HB2' ' A' ' 106' ' ' ALA . 16.2 ttp180 -56.42 -70.94 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 110.293 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -41.0 -49.68 3.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.289 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 38.5 mm-40 -58.17 -59.4 5.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 110.293 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' TRP . . . . . 0.575 ' CD1' HD21 ' A' ' 24' ' ' LEU . 40.1 m95 -49.5 -36.29 22.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.122 . . . . 0.0 108.025 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.661 HD11 ' HB3' ' A' ' 92' ' ' PHE . 86.2 mt -71.46 -74.49 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 116' ' ' ILE . 2.5 tt0 -34.92 -42.82 0.17 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.276 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.475 ' HB1' HD13 ' A' ' 41' ' ' LEU . . . -56.8 -64.39 0.89 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.491 HG21 ' HB ' ' A' ' 71' ' ' VAL . 89.9 mt -42.52 -61.08 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.544 1.152 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.567 ' HG3' ' CG1' ' A' ' 71' ' ' VAL . 1.6 mptp? -37.53 -54.03 1.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.333 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 11.4 mttt -42.82 -57.29 2.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.457 HD23 HD13 ' A' ' 66' ' ' LEU . 0.4 OUTLIER -51.77 -56.19 15.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 123' ' ' THR . . . . . 0.576 HG22 ' O ' ' A' ' 66' ' ' LEU . 80.9 p -63.61 78.52 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.478 1.111 . . . . 0.0 110.377 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' SER . . . . . 0.427 ' N ' ' O ' ' A' ' 122' ' ' LEU . 0.2 OUTLIER 74.14 138.23 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.988 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -53.0 131.49 41.12 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.483 1.114 . . . . 0.0 110.99 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 166.77 28.43 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.508 1.794 . . . . 0.0 110.954 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 15.0 t -136.25 111.68 9.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.0 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 52.5 m -87.68 -60.81 1.87 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.978 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.553 1.158 . . . . 0.0 110.966 179.997 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.438 ' O ' ' N ' ' A' ' 3' ' ' SER . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.3 p 47.56 -94.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 0.78 . . . . 0.0 109.982 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 1' ' ' GLY . 6.6 t 72.78 -60.36 0.54 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.003 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.77 128.22 4.7 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.475 1.11 . . . . 0.0 110.982 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 t -152.08 168.45 25.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 0.762 . . . . 0.0 109.977 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -162.92 158.16 22.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.986 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.8 92.21 0.11 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.451 1.094 . . . . 0.0 110.998 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 37.6 m -79.2 159.46 27.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 0.733 . . . . 0.0 110.003 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.7 tp -113.69 91.24 3.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 43.17 73.62 0.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.004 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 15.1 m 68.21 166.09 0.25 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 110.374 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.744 HG13 ' H ' ' A' ' 13' ' ' GLU . 0.8 OUTLIER -150.69 -76.17 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.259 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.744 ' H ' HG13 ' A' ' 12' ' ' VAL . 42.1 mt-10 -61.06 -40.94 95.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.314 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.4 HD21 ' ND1' ' A' ' 49' ' ' HIS . 3.2 mt -84.21 4.67 29.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 10.2 t -106.09 62.79 0.66 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.981 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -134.12 169.61 22.89 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.481 1.113 . . . . 0.0 111.041 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 43' ' ' LYS . 1.8 m -79.03 123.4 27.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 0.761 . . . . 0.0 110.405 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.499 HG13 ' HG3' ' A' ' 21' ' ' GLN . 2.2 t -60.1 124.13 13.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.241 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -110.49 -26.52 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 109.291 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.533 ' HG2' ' CD2' ' A' ' 115' ' ' TRP . 2.6 tptt -158.77 140.94 13.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.554 ' OE1' HG23 ' A' ' 40' ' ' VAL . 20.6 mt-30 -146.55 145.2 30.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 110.306 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 163.45 -167.04 37.5 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.503 1.127 . . . . 0.0 111.009 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.508 ' CZ ' ' HD3' ' A' ' 38' ' ' ARG . 27.4 m-85 -115.15 121.36 42.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 0.775 . . . . 0.0 111.004 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.688 HD11 ' CD2' ' A' ' 115' ' ' TRP . 60.0 mt -116.91 167.12 11.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.62 ' HB3' ' HB3' ' A' ' 105' ' ' GLN . . . -113.13 124.86 53.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 44.1 tttm -109.44 131.7 54.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.628 ' OE1' HG22 ' A' ' 83' ' ' VAL . 2.7 tt0 -82.84 125.57 31.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.266 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -140.98 -109.56 0.79 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.512 1.132 . . . . 0.0 111.029 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -131.82 -163.04 1.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 0.758 . . . . 0.0 109.61 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 73.88 144.23 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 109.324 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.4 -179.12 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 110.237 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.0 mptt 67.95 165.46 0.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.261 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 28.0 m-20 -59.23 -162.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.344 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.512 ' CE2' ' HB2' ' A' ' 27' ' ' GLN . 17.0 m0 -59.38 -176.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 107.969 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.25 129.76 52.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.406 ' O ' HG12 ' A' ' 36' ' ' VAL . 0.9 OUTLIER -76.96 115.82 19.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 0.0 109.368 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.669 ' HD3' HG21 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -122.43 148.51 45.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.249 -179.945 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.508 ' HD3' ' CZ ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -82.12 103.91 12.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 110.289 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.443 ' CD1' ' HB2' ' A' ' 24' ' ' LEU . 20.1 m-85 -96.89 138.9 33.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.988 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.883 ' O ' HD12 ' A' ' 48' ' ' LEU . 13.6 p -124.35 139.08 51.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.336 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.847 ' HG ' HD13 ' A' ' 48' ' ' LEU . 0.8 OUTLIER -115.59 132.5 56.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.8 mtt180 -131.74 167.41 19.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 110.302 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 17' ' ' THR . 0.5 OUTLIER -142.17 141.2 32.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 109.301 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.491 ' N ' ' C ' ' A' ' 45' ' ' PRO . 9.1 t0 51.36 77.24 0.47 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.491 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.3 Cg_endo -74.98 169.62 74.05 Favored 'Cis proline' 0 C--N 1.36 1.165 0 C-N-CA 120.98 -2.508 . . . . 0.0 111.028 -0.014 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.429 ' HB1' ' HB3' ' A' ' 122' ' ' LEU . . . -98.85 100.54 11.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.572 ' CE2' ' HG2' ' A' ' 13' ' ' GLU . 13.6 m-85 -144.68 167.76 21.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 111.0 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.883 HD12 ' O ' ' A' ' 40' ' ' VAL . 11.7 tp -141.46 114.56 8.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 109.33 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.625 ' O ' HG12 ' A' ' 40' ' ' VAL . 38.8 m-70 -117.81 156.54 28.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.589 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.497 ' CD1' ' NH1' ' A' ' 37' ' ' ARG . 24.5 p90 -141.09 140.92 34.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 111.014 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.609 ' HA ' HG23 ' A' ' 61' ' ' VAL . 28.8 m-85 -112.93 158.3 20.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 110.969 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.577 ' N ' ' CG2' ' A' ' 61' ' ' VAL . 1.1 p30 -97.74 123.84 50.35 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -43.3 0.42 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.489 1.784 . . . . 0.0 111.015 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.2 t -46.35 -40.05 11.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.011 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -90.07 -171.82 3.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.255 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -149.2 100.8 3.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 110.281 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -153.81 163.36 40.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 110.355 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 -94.3 22.34 6.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.305 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 23.3 mmt85 -133.99 152.21 78.11 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 110.257 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.511 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 18.3 Cg_endo -74.98 170.5 20.28 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.494 1.786 . . . . 0.0 110.981 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.669 HG21 ' HD3' ' A' ' 37' ' ' ARG . 0.3 OUTLIER -87.13 -20.19 7.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.442 1.089 . . . . 0.0 109.316 179.93 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -171.86 -137.62 2.37 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.507 1.129 . . . . 0.0 110.983 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 134.55 121.9 2.2 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.694 ' CZ ' HD23 ' A' ' 48' ' ' LEU . 1.9 p90 -116.9 163.25 16.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 0.768 . . . . 0.0 110.999 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 12.1 p -73.52 153.84 40.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.108 . . . . 0.0 110.03 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.797 HD13 HD23 ' A' ' 122' ' ' LEU . 99.3 mt -108.81 -42.37 4.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.38 -32.21 7.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 110.283 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -117.55 49.33 0.87 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.475 1.109 . . . . 0.0 110.968 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 26.2 m -145.67 -174.7 4.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 0.75 . . . . 0.0 110.036 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.631 ' O ' HG13 ' A' ' 94' ' ' VAL . 0.7 OUTLIER -152.9 169.33 23.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.16 . . . . 0.0 109.287 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.593 HG12 ' HG2' ' A' ' 120' ' ' LYS . 11.3 p -147.52 149.09 15.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.329 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.5 m -160.55 167.07 27.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.992 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -93.63 161.74 14.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.579 HD21 ' HB3' ' A' ' 93' ' ' LYS . 12.8 mt -107.17 -85.82 0.5 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.454 ' CG ' ' C ' ' A' ' 74' ' ' LEU . 2.2 pt-20 41.48 86.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 110.302 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -121.56 -42.34 2.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.343 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 164.03 -61.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -151.56 -143.19 3.66 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.526 1.141 . . . . 0.0 111.03 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 91.2 t -41.82 124.7 2.51 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.488 0.757 . . . . 0.0 109.275 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.596 ' HG2' HG21 ' A' ' 83' ' ' VAL . 18.3 Cg_endo -74.98 -82.17 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.547 1.814 . . . . 0.0 110.977 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 3.5 m -145.12 118.16 8.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.444 1.09 . . . . 0.0 110.357 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 38.54 71.94 0.22 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.451 1.095 . . . . 0.0 110.996 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.628 HG22 ' OE1' ' A' ' 27' ' ' GLN . 15.8 t -123.62 125.65 71.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.554 0.797 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 13.2 mmtt -45.99 -75.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 109.331 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -61.43 -137.52 0.01 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.526 1.141 . . . . 0.0 110.971 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -173.23 80.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 0.775 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.512 ' HB ' HD11 ' A' ' 91' ' ' LEU . 4.5 m -67.02 176.11 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.476 ' N ' HD11 ' A' ' 91' ' ' LEU . 1.3 pp0? -158.3 -43.27 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.299 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.707 ' O ' HD12 ' A' ' 91' ' ' LEU . . . -42.69 168.36 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.494 1.121 . . . . 0.0 110.983 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.407 ' O ' ' O ' ' A' ' 91' ' ' LEU . 86.7 m-20 -42.17 -44.22 3.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 0.757 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.707 HD12 ' O ' ' A' ' 89' ' ' GLY . 1.2 mt 48.38 -176.24 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.564 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 20.3 p90 -173.73 145.27 1.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 111.007 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.579 ' HB3' HD21 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -106.67 167.06 10.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 109.298 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.631 HG13 ' O ' ' A' ' 70' ' ' LEU . 71.0 t -135.71 106.21 5.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 0.0 109.253 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.764 HG23 ' CE1' ' A' ' 101' ' ' HIS . 51.6 mt -85.15 109.27 17.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.158 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.424 HG21 ' CE2' ' A' ' 102' ' ' TYR . 7.3 p -87.58 177.34 7.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.412 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 6.3 tttt -58.57 -24.86 61.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.309 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -84.86 7.35 21.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.276 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 44.8 42.45 6.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 2.7 m -82.33 -49.08 10.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.579 1.174 . . . . 0.0 110.38 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.764 ' CE1' HG23 ' A' ' 95' ' ' ILE . 0.6 OUTLIER 79.08 92.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 109.591 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.424 ' CE2' HG21 ' A' ' 96' ' ' THR . 45.2 m-85 -94.12 126.77 39.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 111.023 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -89.85 127.53 36.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 110.992 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.564 ' HB ' ' CZ ' ' A' ' 92' ' ' PHE . 60.0 mt -134.67 161.19 40.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.275 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.62 ' HB3' ' HB3' ' A' ' 25' ' ' ALA . 3.5 tp60 -119.62 151.68 38.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.309 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.521 ' HB3' ' HB2' ' A' ' 112' ' ' ARG . . . -106.0 153.55 21.86 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 109.365 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.18 -44.83 90.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.04 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -133.28 166.61 22.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.999 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 2.9 mptt -56.12 -26.15 48.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.112 . . . . 0.0 109.285 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -84.17 -52.88 5.91 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 0.0 109.265 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.458 ' HB3' ' HB1' ' A' ' 106' ' ' ALA . 0.7 OUTLIER -39.83 -40.85 1.04 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.271 -179.933 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.574 ' NE ' HD12 ' A' ' 116' ' ' ILE . 2.7 ttp180 -60.57 -72.9 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.31 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -41.42 -33.22 0.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -74.17 -50.51 18.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.309 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' TRP . . . . . 0.688 ' CD2' HD11 ' A' ' 24' ' ' LEU . 58.7 m95 -62.93 -24.02 67.66 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.574 HD12 ' NE ' ' A' ' 112' ' ' ARG . 63.5 mt -79.85 -77.1 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 116' ' ' ILE . 2.1 tt0 -37.74 -43.23 0.64 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 110.274 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.406 ' HB1' HD13 ' A' ' 41' ' ' LEU . . . -54.81 -59.07 5.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.572 HD12 ' O ' ' A' ' 115' ' ' TRP . 35.8 mt -50.45 -56.69 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 0.0 109.275 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.593 ' HG2' HG12 ' A' ' 71' ' ' VAL . 18.1 mttt -40.85 -51.85 3.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 13.3 mttt -42.26 -60.31 1.51 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.797 HD23 HD13 ' A' ' 66' ' ' LEU . 0.3 OUTLIER -52.75 -53.8 42.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.32 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 123' ' ' THR . . . . . 0.755 HG22 ' O ' ' A' ' 66' ' ' LEU . 22.0 p -70.93 64.65 0.33 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.411 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.3 t -173.04 167.65 4.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.992 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -86.18 -143.31 7.19 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.481 1.113 . . . . 0.0 111.007 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 133.37 16.48 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.507 1.793 . . . . 0.0 111.015 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -152.1 175.32 12.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.02 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -176.75 169.48 2.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 110.004 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.537 1.148 . . . . 0.0 110.998 179.945 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 66.56 161.74 0.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 0.777 . . . . 0.0 110.04 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.1 t -175.82 153.03 1.32 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.023 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.37 172.08 38.39 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.493 1.12 . . . . 0.0 111.002 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.6 -60.98 0.44 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.57 0.806 . . . . 0.0 110.021 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t 64.39 146.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.44 1.088 . . . . 0.0 110.028 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.84 139.64 3.4 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.502 1.127 . . . . 0.0 110.992 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.29 -58.78 1.82 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 0.784 . . . . 0.0 110.026 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -165.47 -68.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.81 126.83 51.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.992 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 61.07 140.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.367 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.743 HG13 ' H ' ' A' ' 13' ' ' GLU . 2.4 p -141.47 -64.62 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.743 ' H ' HG13 ' A' ' 12' ' ' VAL . 2.9 mt-10 -83.2 -25.84 31.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.275 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.613 HD23 ' OH ' ' A' ' 51' ' ' TYR . 6.1 mp -83.19 -1.42 52.96 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.35 53.61 2.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.561 1.163 . . . . 0.0 110.083 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -129.01 151.03 18.98 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.506 1.129 . . . . 0.0 110.996 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.446 ' N ' ' O ' ' A' ' 43' ' ' LYS . 1.2 m -68.69 118.9 12.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 0.762 . . . . 0.0 110.432 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.474 HG13 ' HG3' ' A' ' 21' ' ' GLN . 2.2 t -47.69 121.86 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.53 HG13 ' HE2' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -109.94 -18.99 7.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.543 ' HG2' ' CD2' ' A' ' 115' ' ' TRP . 3.5 tptt -168.95 140.26 2.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.336 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.474 ' HG3' HG13 ' A' ' 18' ' ' VAL . 35.8 mt-30 -142.19 150.27 40.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.456 1.098 . . . . 0.0 110.305 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 159.35 -179.59 34.84 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.525 1.141 . . . . 0.0 111.023 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.43 ' CZ ' ' HD3' ' A' ' 38' ' ' ARG . 53.0 m-85 -111.16 122.77 48.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 0.76 . . . . 0.0 110.992 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.546 HD22 ' HA ' ' A' ' 106' ' ' ALA . 9.1 mt -117.28 172.09 7.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -120.25 106.99 12.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.312 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -76.29 148.43 37.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.52 ' HG3' ' CE2' ' A' ' 34' ' ' TRP . 1.0 OUTLIER -120.0 128.48 53.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.234 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.433 ' N ' ' OE1' ' A' ' 27' ' ' GLN . . . 145.06 86.86 0.08 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.445 1.091 . . . . 0.0 111.012 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 1.8 t60 179.22 157.11 0.54 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 0.762 . . . . 0.0 109.624 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.8 tttp -95.51 46.42 1.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.263 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.484 ' O ' ' CB ' ' A' ' 32' ' ' LYS . 0.2 OUTLIER 179.0 101.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.28 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.484 ' CB ' ' O ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER 86.61 -46.28 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.102 . . . . 0.0 109.3 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.1 m120 73.34 -65.11 0.37 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.715 ' CZ2' HG11 ' A' ' 87' ' ' VAL . 93.4 m95 -91.09 111.22 22.6 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.46 118.69 26.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.9 t -57.01 130.74 20.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -142.71 148.85 37.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 110.312 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.43 ' HD3' ' CZ ' ' A' ' 23' ' ' TYR . 0.5 OUTLIER -81.23 102.92 10.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 110.282 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.477 ' CG ' HD12 ' A' ' 24' ' ' LEU . 24.5 m-85 -96.92 127.9 43.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 0.0 110.977 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.967 ' O ' HD12 ' A' ' 48' ' ' LEU . 7.5 p -114.86 141.06 32.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.673 ' HG ' HD13 ' A' ' 48' ' ' LEU . 0.4 OUTLIER -118.47 126.78 52.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.4 ' NH1' ' O ' ' A' ' 14' ' ' LEU . 49.1 mtt-85 -125.93 164.75 20.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.124 . . . . 0.0 110.305 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.53 ' HE2' HG13 ' A' ' 19' ' ' VAL . 1.6 pttt -138.93 145.57 39.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.16 . . . . 0.0 109.287 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.486 ' N ' ' C ' ' A' ' 45' ' ' PRO . 0.7 OUTLIER 48.98 77.51 0.46 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.357 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.486 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.2 Cg_endo -75.08 170.64 71.31 Favored 'Cis proline' 0 C--N 1.36 1.169 0 C-N-CA 120.996 -2.502 . . . . 0.0 110.958 0.127 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.74 ' CB ' HD12 ' A' ' 122' ' ' LEU . . . -96.59 94.98 7.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.553 ' CD2' ' HB3' ' A' ' 13' ' ' GLU . 12.7 m-85 -141.71 157.41 45.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 111.024 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.967 HD12 ' O ' ' A' ' 40' ' ' VAL . 6.6 tp -130.38 113.91 14.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.725 ' O ' HG12 ' A' ' 40' ' ' VAL . 57.1 m-70 -115.47 161.95 17.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.647 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.512 ' O ' HG23 ' A' ' 61' ' ' VAL . 26.3 p90 -145.93 144.46 30.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.462 1.102 . . . . 0.0 111.01 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.7 ' HA ' HG23 ' A' ' 61' ' ' VAL . 12.3 m-85 -120.39 148.5 43.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 111.031 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 47.7 t0 -81.24 122.5 81.4 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -0.08 9.55 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.514 1.797 . . . . 0.0 111.03 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 18.1 m -103.15 -21.7 13.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.014 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.432 ' HG3' ' N ' ' A' ' 56' ' ' GLU . 0.9 OUTLIER -101.5 142.1 33.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.432 ' N ' ' HG3' ' A' ' 55' ' ' LYS . 1.2 mt-10 -108.41 66.13 0.64 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.575 1.172 . . . . 0.0 110.313 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -120.18 144.35 47.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.333 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 38.6 m-20 -82.9 66.93 8.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.318 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 176.8 160.74 0.48 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.431 1.082 . . . . 0.0 110.317 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.548 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 18.3 Cg_endo -74.99 174.38 12.88 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.523 1.802 . . . . 0.0 111.012 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.7 HG23 ' HA ' ' A' ' 51' ' ' TYR . 1.8 t -92.63 -24.13 5.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -164.51 -119.52 0.48 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.519 1.137 . . . . 0.0 110.987 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 116.92 123.93 3.49 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.625 ' CZ ' HD23 ' A' ' 48' ' ' LEU . 1.6 p90 -120.54 157.25 29.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 0.766 . . . . 0.0 111.017 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.0 p -69.17 149.0 49.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.983 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.484 ' O ' HG22 ' A' ' 123' ' ' THR . 37.8 mt -99.6 -46.63 5.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -36.97 -54.96 0.94 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.516 1.135 . . . . 0.0 110.3 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -99.74 56.56 0.86 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.511 1.132 . . . . 0.0 110.999 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.404 ' HA ' ' HA ' ' A' ' 96' ' ' THR . 4.8 m -140.49 -177.92 5.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 0.74 . . . . 0.0 109.967 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 1.024 HD13 ' N ' ' A' ' 71' ' ' VAL . 3.2 tm? -155.89 153.23 29.34 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.554 1.159 . . . . 0.0 109.329 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 1.024 ' N ' HD13 ' A' ' 70' ' ' LEU . 14.7 p -141.1 143.45 28.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.9 m -158.89 163.63 36.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.996 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -96.03 152.08 18.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.117 . . . . 0.0 109.305 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.535 ' CD2' ' CZ ' ' A' ' 103' ' ' TYR . 0.7 OUTLIER -86.08 116.75 24.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.447 1.092 . . . . 0.0 109.264 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -90.32 56.51 3.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.305 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -140.3 141.76 35.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -99.81 -57.69 2.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 109.358 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -70.39 -100.26 0.05 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.509 1.13 . . . . 0.0 110.965 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 5.0 t -104.76 120.0 51.64 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.551 0.795 . . . . 0.0 109.304 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.526 ' HG2' HG11 ' A' ' 83' ' ' VAL . 18.3 Cg_endo -74.98 67.1 5.97 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.488 1.783 . . . . 0.0 111.011 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.459 ' O ' ' N ' ' A' ' 83' ' ' VAL . 30.9 m 45.56 -122.32 1.04 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.38 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.698 ' O ' HG23 ' A' ' 83' ' ' VAL . . . -60.61 79.75 0.01 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.458 1.099 . . . . 0.0 111.022 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.698 HG23 ' O ' ' A' ' 82' ' ' GLY . 12.7 t -160.13 -43.65 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.472 0.748 . . . . 0.0 109.336 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.402 ' HB2' ' O ' ' A' ' 83' ' ' VAL . 9.7 mttt 68.98 -63.51 0.36 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.267 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.508 ' O ' HG13 ' A' ' 87' ' ' VAL . . . -66.83 82.98 0.11 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.509 1.13 . . . . 0.0 111.011 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.448 ' N ' ' OD1' ' A' ' 86' ' ' ASN . 3.8 p30 -39.17 101.71 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 0.79 . . . . 0.0 109.307 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.715 HG11 ' CZ2' ' A' ' 34' ' ' TRP . 11.3 m -85.17 179.26 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 73.0 mm-40 -54.92 -169.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.313 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -124.77 34.78 3.34 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.557 1.16 . . . . 0.0 110.979 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.503 ' ND2' ' HG2' ' A' ' 109' ' ' LYS . 1.4 t-20 -152.17 51.41 0.79 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 0.766 . . . . 0.0 109.344 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.466 ' HB2' HD12 ' A' ' 74' ' ' LEU . 0.3 OUTLIER -121.77 -169.66 1.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.325 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.565 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 23.3 p90 -161.59 173.37 14.87 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.484 1.115 . . . . 0.0 111.009 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.547 ' HE3' ' CD2' ' A' ' 101' ' ' HIS . 0.0 OUTLIER -130.11 154.73 47.19 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 91.4 t -123.33 102.71 11.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.142 . . . . 0.0 109.294 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.442 ' CG1' ' HE2' ' A' ' 93' ' ' LYS . 25.2 mt -86.12 106.25 15.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.404 ' HA ' ' HA ' ' A' ' 69' ' ' SER . 27.2 p -83.94 175.19 9.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 110.378 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 3.2 tttp -59.38 -15.76 18.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.404 ' C ' ' CG ' ' A' ' 99' ' ' ASP . 0.3 OUTLIER -88.67 19.53 3.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.404 ' CG ' ' C ' ' A' ' 98' ' ' ASP . 0.1 OUTLIER 48.22 25.96 0.96 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.283 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 91.6 m -96.23 121.87 38.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 110.386 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.547 ' CD2' ' HE3' ' A' ' 93' ' ' LYS . 1.8 m-70 -90.43 108.21 19.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.602 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 54.6 m-85 -100.3 102.63 13.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.968 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.535 ' CZ ' ' CD2' ' A' ' 74' ' ' LEU . 3.2 m-85 -75.53 127.02 32.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.998 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.565 ' HB ' ' CZ ' ' A' ' 92' ' ' PHE . 53.4 mt -125.41 162.3 28.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.45 ' N ' ' CG2' ' A' ' 104' ' ' ILE . 4.9 tt0 -123.47 128.3 49.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 110.332 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.565 ' HB1' ' HB3' ' A' ' 111' ' ' GLU . . . -81.57 169.12 17.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.131 . . . . 0.0 109.336 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 10.5 t -83.18 -46.83 12.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 110.045 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -127.96 174.13 9.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.012 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.503 ' HG2' ' ND2' ' A' ' 90' ' ' ASN . 0.0 OUTLIER -53.79 -59.02 5.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.303 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 111' ' ' GLU . . . -54.85 -54.19 45.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.565 ' HB3' ' HB1' ' A' ' 106' ' ' ALA . 0.0 OUTLIER -38.06 -41.5 0.58 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.442 1.089 . . . . 0.0 110.303 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.537 HH11 ' N ' ' A' ' 113' ' ' ALA . 0.0 OUTLIER -52.61 -71.12 0.07 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 0.0 110.298 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.537 ' N ' HH11 ' A' ' 112' ' ' ARG . . . -55.04 -43.89 74.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.418 1.074 . . . . 0.0 109.292 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.444 ' OE1' ' NZ ' ' A' ' 20' ' ' LYS . 6.7 mt-10 -47.81 -63.33 1.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.14 . . . . 0.0 110.301 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' TRP . . . . . 0.61 ' O ' HD12 ' A' ' 119' ' ' ILE . 80.7 m95 -54.17 -43.66 70.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 108.015 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.501 HD12 ' NH1' ' A' ' 112' ' ' ARG . 35.3 mt -55.27 -78.34 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.402 ' N ' HG22 ' A' ' 116' ' ' ILE . 0.3 OUTLIER -39.67 -48.46 2.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 110.296 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.405 ' HB1' HD13 ' A' ' 41' ' ' LEU . . . -45.66 -59.58 2.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.62 ' O ' HG23 ' A' ' 123' ' ' THR . 5.6 mt -55.48 -42.69 69.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.524 ' HG2' ' CG1' ' A' ' 71' ' ' VAL . 18.9 mttt -58.52 -47.68 83.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 22.8 mttt -49.95 -60.68 2.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.74 HD12 ' CB ' ' A' ' 46' ' ' ALA . 1.1 mm? -47.55 -57.82 4.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' THR . . . . . 0.62 HG23 ' O ' ' A' ' 119' ' ' ILE . 26.0 p -71.88 -179.17 2.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 110.371 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -57.49 -62.92 1.43 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.123 . . . . 0.0 109.967 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 67.33 171.02 4.96 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.489 1.118 . . . . 0.0 110.992 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -43.02 0.43 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.514 1.797 . . . . 0.0 111.009 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 80.0 p -151.81 120.22 6.41 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 109.985 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 3.6 m -154.26 -58.39 0.12 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 110.025 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 O-C-N 124.548 1.155 . . . . 0.0 111.01 -179.985 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.8 m -153.99 167.04 31.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 0.756 . . . . 0.0 110.034 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.3 p -168.82 162.7 11.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.02 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.92 176.33 45.82 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.523 1.139 . . . . 0.0 110.956 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.6 m -154.14 165.24 36.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 0.765 . . . . 0.0 109.981 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -141.56 164.59 29.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.978 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 120.24 -173.33 15.25 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.479 1.112 . . . . 0.0 110.975 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.13 -52.68 33.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 0.766 . . . . 0.0 109.997 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 41.54 90.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 109.256 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -164.32 -69.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.081 . . . . 0.0 110.047 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.417 ' CG2' ' HB2' ' A' ' 14' ' ' LEU . 93.2 m -134.42 155.88 49.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.436 1.085 . . . . 0.0 110.454 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.697 HG13 ' H ' ' A' ' 13' ' ' GLU . 2.7 p -140.43 -63.01 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.697 ' H ' HG13 ' A' ' 12' ' ' VAL . 55.2 mt-10 -58.11 -49.37 77.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 110.305 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.702 HD11 ' CG ' ' A' ' 49' ' ' HIS . 1.6 mm? -81.67 -1.28 46.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.49 63.84 3.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 110.005 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.473 ' CA ' ' HD2' ' A' ' 45' ' ' PRO . . . -138.2 161.52 25.61 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.504 1.127 . . . . 0.0 110.949 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 33.5 m -68.16 114.11 6.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 0.781 . . . . 0.0 110.359 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.2 t -67.24 115.45 5.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.552 HG13 ' HG2' ' A' ' 43' ' ' LYS . 0.3 OUTLIER -102.22 -30.58 3.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.546 ' HG2' ' CD2' ' A' ' 115' ' ' TRP . 8.4 tptt -144.87 146.05 31.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -167.12 129.47 1.7 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.105 . . . . 0.0 110.276 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -169.54 -146.27 4.99 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.466 1.104 . . . . 0.0 110.981 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.542 ' CE1' ' HD3' ' A' ' 38' ' ' ARG . 57.7 m-85 -127.8 109.85 12.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 0.777 . . . . 0.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.58 HD12 ' CG ' ' A' ' 39' ' ' PHE . 26.0 mt -105.63 171.46 7.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.569 ' HB3' ' HB3' ' A' ' 105' ' ' GLN . . . -124.29 102.06 7.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 29.2 tttt -87.29 119.88 28.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -73.85 145.92 44.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.332 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -177.78 172.52 45.18 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.523 1.139 . . . . 0.0 110.949 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.49 ' CG ' ' O ' ' A' ' 29' ' ' HIS . 0.6 OUTLIER -78.92 93.23 5.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 0.786 . . . . 0.0 109.579 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 17.4 tttm -153.13 171.8 17.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 109.293 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.6 -54.31 2.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 110.341 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.1 mtmt -96.72 138.49 34.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -57.21 -55.31 36.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.337 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.569 ' CZ2' HG21 ' A' ' 87' ' ' VAL . 46.8 m95 -116.4 109.39 17.26 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.419 ' O ' ' HA ' ' A' ' 25' ' ' ALA . 11.4 mmtt -94.06 130.32 40.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.8 t -78.32 131.12 35.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 109.339 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.593 ' NH1' HG11 ' A' ' 61' ' ' VAL . 0.4 OUTLIER -138.05 156.53 47.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.298 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.542 ' HD3' ' CE1' ' A' ' 23' ' ' TYR . 1.2 ttp180 -91.35 102.93 15.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.56 1.163 . . . . 0.0 110.321 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.58 ' CG ' HD12 ' A' ' 24' ' ' LEU . 23.6 m-85 -96.29 141.42 29.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 111.015 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.799 ' O ' HD12 ' A' ' 48' ' ' LEU . 5.4 p -124.51 139.47 50.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.558 ' CD1' ' HB1' ' A' ' 118' ' ' ALA . 0.0 OUTLIER -114.81 118.5 33.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 109.341 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.604 HH21 HG11 ' A' ' 40' ' ' VAL . 5.4 mtt-85 -117.51 150.63 38.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 110.268 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.552 ' HG2' HG13 ' A' ' 19' ' ' VAL . 0.5 OUTLIER -130.06 148.64 51.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.569 1.168 . . . . 0.0 109.294 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.465 ' N ' ' C ' ' A' ' 45' ' ' PRO . 19.4 t0 40.7 78.96 0.34 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.473 ' HD2' ' CA ' ' A' ' 16' ' ' GLY . 18.2 Cg_endo -75.0 165.47 85.84 Favored 'Cis proline' 0 C--N 1.359 1.12 0 C-N-CA 120.979 -2.509 . . . . 0.0 111.015 -0.035 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.858 ' HB2' HD12 ' A' ' 122' ' ' LEU . . . -93.39 113.36 25.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.528 ' CE2' ' HG2' ' A' ' 13' ' ' GLU . 2.0 m-85 -157.08 157.22 34.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 111.039 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.799 HD12 ' O ' ' A' ' 40' ' ' VAL . 23.8 tp -133.47 113.38 12.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.702 ' CG ' HD11 ' A' ' 14' ' ' LEU . 61.0 m-70 -120.05 166.38 13.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 109.626 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.447 ' O ' ' CD1' ' A' ' 50' ' ' TYR . 21.4 p90 -154.9 141.78 19.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 111.001 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.957 ' HA ' HG23 ' A' ' 61' ' ' VAL . 4.7 m-85 -117.06 163.62 15.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 111.014 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -91.57 122.92 65.05 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 109.286 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 1.08 8.12 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.452 1.764 . . . . 0.0 110.997 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 38.1 m -103.08 -50.88 3.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.989 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.87 -175.21 0.18 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -150.2 90.26 1.65 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 110.287 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -149.9 140.73 22.75 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.553 1.158 . . . . 0.0 110.299 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -77.18 57.26 1.39 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.452 ' CG ' ' HD2' ' A' ' 60' ' ' PRO . 0.1 OUTLIER -171.79 156.77 4.17 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.563 1.164 . . . . 0.0 110.298 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.602 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 18.2 Cg_endo -75.07 158.14 42.09 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.499 1.789 . . . . 0.0 110.996 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.957 HG23 ' HA ' ' A' ' 51' ' ' TYR . 3.9 t -75.21 -31.26 24.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -161.95 -115.58 0.36 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.477 1.111 . . . . 0.0 111.024 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 101.31 126.3 5.8 Favored Glycine 0 CA--C 1.531 1.041 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.621 ' HE1' HD23 ' A' ' 48' ' ' LEU . 0.1 OUTLIER -110.89 -176.94 3.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 0.782 . . . . 0.0 111.003 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 66.8 m -88.68 161.2 16.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 110.018 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.71 ' O ' HG22 ' A' ' 123' ' ' THR . 72.3 mt -110.61 -38.43 5.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.9 OUTLIER -38.41 -64.01 0.46 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 110.317 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -99.4 48.18 1.29 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.495 1.122 . . . . 0.0 111.006 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.414 ' OG ' ' HA ' ' A' ' 66' ' ' LEU . 7.0 p -123.47 -173.08 2.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 0.772 . . . . 0.0 109.981 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -156.23 167.95 28.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.345 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.488 ' CG1' ' HG2' ' A' ' 120' ' ' LYS . 7.3 p -153.0 143.04 14.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.554 1.159 . . . . 0.0 109.295 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 37.6 m -158.81 156.51 29.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.972 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -92.81 153.04 19.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.336 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.935 HD12 ' HB2' ' A' ' 91' ' ' LEU . 2.2 mt -98.71 142.11 30.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -87.94 164.61 15.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 110.316 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -104.29 145.99 29.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 109.279 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 177.09 -58.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.162 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 164.96 96.66 0.11 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.557 1.16 . . . . 0.0 110.989 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.412 ' HA ' ' HD3' ' A' ' 80' ' ' PRO . 40.5 t 62.86 131.33 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.533 0.784 . . . . 0.0 109.278 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.659 ' HG2' HG21 ' A' ' 83' ' ' VAL . 18.1 Cg_endo -75.07 -64.78 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.536 1.808 . . . . 0.0 110.972 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.594 ' O ' HG23 ' A' ' 83' ' ' VAL . 1.7 t -164.11 110.74 1.08 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 110.41 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 81' ' ' THR . . . 35.04 61.9 0.61 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.471 1.107 . . . . 0.0 111.028 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.659 HG21 ' HG2' ' A' ' 80' ' ' PRO . 30.5 t -115.25 -34.74 2.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 0.758 . . . . 0.0 109.3 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 7.2 mmtt 62.26 117.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 109.275 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 120.19 -13.26 10.41 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.476 1.11 . . . . 0.0 110.977 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 50.32 94.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 0.754 . . . . 0.0 109.331 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.569 HG21 ' CZ2' ' A' ' 34' ' ' TRP . 5.3 p -61.66 160.55 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.432 ' O ' ' O ' ' A' ' 87' ' ' VAL . 16.2 mm-40 -43.27 -95.41 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 110.287 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 175.93 -50.32 0.12 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.493 1.121 . . . . 0.0 111.019 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 62.2 m-80 -77.64 59.45 1.98 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 0.772 . . . . 0.0 109.348 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.935 ' HB2' HD12 ' A' ' 74' ' ' LEU . 0.8 OUTLIER -120.28 -174.49 2.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 109.315 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.663 ' HB3' HD11 ' A' ' 116' ' ' ILE . 12.8 p90 -153.95 167.99 27.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 110.935 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.98 167.4 19.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.328 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 67.3 t -126.73 107.34 16.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.593 HG23 ' CE1' ' A' ' 101' ' ' HIS . 84.5 mt -89.2 111.62 23.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 0.0 109.272 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.415 HG21 ' HE2' ' A' ' 102' ' ' TYR . 69.1 p -81.71 -178.1 6.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.394 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.75 -9.65 51.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -105.15 19.37 20.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 43.8 42.78 4.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.603 HG21 ' CZ ' ' A' ' 102' ' ' TYR . 54.6 m -71.23 -57.4 4.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 110.411 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.593 ' CE1' HG23 ' A' ' 95' ' ' ILE . 0.4 OUTLIER 78.47 88.7 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.564 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.603 ' CZ ' HG21 ' A' ' 100' ' ' THR . 51.2 m-85 -98.16 115.32 28.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 111.016 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -79.57 125.09 29.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.989 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.426 HG22 ' N ' ' A' ' 105' ' ' GLN . 74.6 mt -133.2 161.92 40.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.113 . . . . 0.0 109.27 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.569 ' HB3' ' HB3' ' A' ' 25' ' ' ALA . 40.6 tt0 -122.31 150.12 42.8 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.514 1.134 . . . . 0.0 110.314 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.571 ' HB1' ' HB3' ' A' ' 111' ' ' GLU . . . -101.65 162.44 12.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 35.3 t -67.43 -44.25 79.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 109.992 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 11.2 p -132.14 167.24 20.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.006 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -56.55 -34.85 67.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -76.11 -50.25 15.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.571 ' HB3' ' HB1' ' A' ' 106' ' ' ALA . 0.7 OUTLIER -42.4 -36.31 1.26 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.316 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 8.1 ttp180 -61.29 -70.82 0.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 110.259 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -43.9 -41.56 5.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -63.68 -57.45 10.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 110.309 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' TRP . . . . . 0.548 ' CZ3' ' HB2' ' A' ' 41' ' ' LEU . 41.6 m95 -53.29 -35.06 59.7 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.663 HD11 ' HB3' ' A' ' 92' ' ' PHE . 82.8 mt -70.56 -76.43 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 116' ' ' ILE . 2.7 tt0 -33.95 -45.79 0.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.335 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.558 ' HB1' ' CD1' ' A' ' 41' ' ' LEU . . . -52.15 -68.06 0.2 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.495 1.122 . . . . 0.0 109.347 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.526 HD12 ' O ' ' A' ' 115' ' ' TRP . 13.4 mt -41.72 -58.03 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.488 ' HG2' ' CG1' ' A' ' 71' ' ' VAL . 17.2 mttt -40.76 -52.84 2.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.339 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 17.9 mttt -43.89 -60.04 2.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 109.268 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.858 HD12 ' HB2' ' A' ' 46' ' ' ALA . 2.2 mm? -51.11 -55.24 18.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' THR . . . . . 0.71 HG22 ' O ' ' A' ' 66' ' ' LEU . 69.8 p -68.91 79.75 0.31 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 110.42 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.35 166.52 1.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 110.015 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -91.81 -117.96 2.29 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.493 1.12 . . . . 0.0 110.997 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 134.05 17.29 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.548 1.815 . . . . 0.0 110.953 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 38.4 m -114.71 154.71 27.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.01 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 77.2 p -99.05 136.54 38.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.994 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 O-C-N 124.507 1.13 . . . . 0.0 111.004 179.99 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 90.8 p -139.17 167.22 22.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 0.789 . . . . 0.0 109.994 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.8 m 60.06 150.74 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.443 1.09 . . . . 0.0 110.0 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.33 139.36 2.72 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.479 1.112 . . . . 0.0 111.003 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -135.93 169.85 16.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 0.736 . . . . 0.0 109.983 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -94.24 128.24 40.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.987 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 39.47 55.73 2.53 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.47 1.106 . . . . 0.0 110.992 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -172.24 111.24 0.26 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 0.752 . . . . 0.0 109.983 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.3 tt -167.98 -66.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.242 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 68.62 140.16 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 110.047 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.402 ' CG2' ' HB2' ' A' ' 14' ' ' LEU . 4.9 m -64.95 156.82 29.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 110.391 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.724 HG13 ' H ' ' A' ' 13' ' ' GLU . 2.6 p -141.05 -63.8 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.724 ' H ' HG13 ' A' ' 12' ' ' VAL . 2.3 mm-40 -65.98 -42.98 89.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 110.315 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.571 HD23 ' CD2' ' A' ' 49' ' ' HIS . 0.6 OUTLIER -87.82 12.03 14.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.301 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.421 ' O ' ' CD ' ' A' ' 45' ' ' PRO . 0.3 OUTLIER -101.8 62.2 0.9 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 110.056 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -136.71 161.58 25.08 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.515 1.134 . . . . 0.0 110.983 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.425 ' O ' ' N ' ' A' ' 43' ' ' LYS . 3.1 m -67.41 125.98 27.84 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.513 0.772 . . . . 0.0 110.397 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.512 HG13 ' HG3' ' A' ' 21' ' ' GLN . 2.1 t -64.38 123.06 16.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.589 HG13 ' HE2' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -110.32 -28.26 2.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.519 ' HG2' ' CD2' ' A' ' 115' ' ' TRP . 5.2 tptt -156.33 142.02 17.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.346 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.512 ' HG3' HG13 ' A' ' 18' ' ' VAL . 24.8 mt-30 -148.06 150.63 34.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.277 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 158.63 -161.4 31.77 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.473 1.108 . . . . 0.0 110.996 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.47 ' CE2' ' HB2' ' A' ' 38' ' ' ARG . 61.5 m-85 -121.04 121.39 37.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 0.761 . . . . 0.0 110.998 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.621 HD21 ' CD1' ' A' ' 115' ' ' TRP . 41.0 mt -112.59 169.36 8.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.56 1.162 . . . . 0.0 109.263 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.844 ' HB3' ' HB3' ' A' ' 105' ' ' GLN . . . -121.14 104.52 9.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 109.286 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 9.6 tttt -92.46 135.8 33.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.295 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -93.87 109.71 21.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.297 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -113.04 -169.3 17.37 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.476 1.11 . . . . 0.0 110.995 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 5.2 t-80 -88.27 107.27 18.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.443 0.731 . . . . 0.0 109.614 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -174.43 154.24 2.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 80.0 mtt-85 -58.48 -55.23 37.77 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 110.314 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.46 170.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.43 ' OD1' ' O ' ' A' ' 34' ' ' TRP . 14.9 p30 -83.63 -160.19 0.42 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.947 ' CH2' HD22 ' A' ' 91' ' ' LEU . 11.7 m95 -52.08 144.71 11.61 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.4 ' O ' ' HA ' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -113.66 133.63 55.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.095 . . . . 0.0 109.285 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.6 t -80.89 128.28 38.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.432 1.082 . . . . 0.0 109.271 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.1 ttp180 -136.14 139.39 42.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 110.27 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.47 ' HB2' ' CE2' ' A' ' 23' ' ' TYR . 1.7 ttp85 -74.18 104.41 4.96 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.509 1.131 . . . . 0.0 110.317 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.573 ' CD1' ' HB2' ' A' ' 24' ' ' LEU . 8.7 m-85 -95.77 143.25 27.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.967 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.953 ' O ' HD12 ' A' ' 48' ' ' LEU . 10.3 p -126.52 135.79 62.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.108 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.756 ' HG ' HD13 ' A' ' 48' ' ' LEU . 0.5 OUTLIER -114.29 124.03 50.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.137 . . . . 0.0 109.34 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.441 ' NH1' ' CG2' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -128.27 164.67 22.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 110.291 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.589 ' HE2' HG13 ' A' ' 19' ' ' VAL . 2.0 pttt -137.96 141.06 40.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.469 ' N ' ' O ' ' A' ' 45' ' ' PRO . 9.1 t70 52.97 78.46 0.39 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.322 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.469 ' O ' ' N ' ' A' ' 44' ' ' ASP . 18.2 Cg_endo -75.04 173.13 59.52 Favored 'Cis proline' 0 C--N 1.359 1.129 0 C-N-CA 120.991 -2.504 . . . . 0.0 110.953 0.043 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 1.01 ' CB ' HD12 ' A' ' 122' ' ' LEU . . . -101.04 99.81 10.32 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.411 1.069 . . . . 0.0 109.326 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.585 ' CE2' ' CD ' ' A' ' 13' ' ' GLU . 8.6 m-85 -149.17 152.0 35.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.132 . . . . 0.0 111.004 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.953 HD12 ' O ' ' A' ' 40' ' ' VAL . 10.5 tp -127.27 114.06 17.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.247 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.571 ' CD2' HD23 ' A' ' 14' ' ' LEU . 42.1 m-70 -115.63 164.2 14.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.584 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.629 ' C ' ' CD1' ' A' ' 51' ' ' TYR . 1.5 p90 -137.45 175.67 9.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.951 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.629 ' CD1' ' C ' ' A' ' 50' ' ' TYR . 26.4 m-85 -155.53 135.48 12.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 110.949 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -77.57 123.23 86.7 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -40.8 0.78 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.549 1.815 . . . . 0.0 111.004 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 48.2 t -46.5 -31.35 2.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 110.001 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 21.8 mmtt -93.2 -179.66 5.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.442 1.089 . . . . 0.0 109.297 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -129.17 75.91 1.68 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.257 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -143.13 160.83 39.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 110.258 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.476 ' O ' ' CE2' ' A' ' 51' ' ' TYR . 61.5 t30 -96.35 -36.17 10.95 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.125 . . . . 0.0 109.273 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 5.7 mtp180 -62.78 147.44 93.43 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.09 . . . . 0.0 110.291 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.624 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 18.2 Cg_endo -74.98 157.45 42.84 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.507 1.793 . . . . 0.0 111.005 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.6 HG23 ' HA ' ' A' ' 51' ' ' TYR . 2.1 t -72.05 -27.19 26.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -165.48 -118.32 0.43 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.534 1.146 . . . . 0.0 111.035 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 124.69 122.53 2.65 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.707 ' CZ ' HD23 ' A' ' 48' ' ' LEU . 4.7 p90 -115.65 153.12 31.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 0.779 . . . . 0.0 110.968 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.2 p -64.4 158.34 23.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.001 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.507 HD11 ' HB2' ' A' ' 48' ' ' LEU . 88.3 mt -115.93 -43.73 2.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.357 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -38.81 -59.12 0.99 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.267 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -96.68 54.92 1.42 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.485 1.115 . . . . 0.0 111.008 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.8 m -141.4 -178.12 5.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 0.783 . . . . 0.0 109.965 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.407 ' O ' ' N ' ' A' ' 95' ' ' ILE . 25.1 tp -154.53 152.24 29.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.513 ' CG1' ' CG ' ' A' ' 120' ' ' LYS . 11.5 p -130.89 150.02 34.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 18.4 m -163.67 160.26 22.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 109.971 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -96.26 157.5 15.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.754 HD12 ' HB2' ' A' ' 91' ' ' LEU . 1.1 mt -96.68 121.92 39.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 74' ' ' LEU . 0.4 OUTLIER -37.84 154.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.293 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -61.42 100.74 0.14 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.36 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.412 ' O ' ' C ' ' A' ' 78' ' ' GLY . 1.3 m-20 -165.18 137.02 4.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.544 1.152 . . . . 0.0 109.251 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 77' ' ' ASN . . . -36.31 -82.0 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.461 1.101 . . . . 0.0 111.032 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.747 HG11 ' ND2' ' A' ' 86' ' ' ASN . 7.7 p -123.89 132.76 24.31 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.48 0.753 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 79' ' ' VAL . 18.3 Cg_endo -75.03 -163.41 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.485 1.781 . . . . 0.0 110.976 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 17.2 m -42.95 102.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.569 1.168 . . . . 0.0 110.407 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.422 ' O ' ' C ' ' A' ' 83' ' ' VAL . . . 59.5 -88.54 0.03 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.477 1.11 . . . . 0.0 111.02 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.743 ' O ' HG12 ' A' ' 83' ' ' VAL . 18.9 t 38.39 67.18 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 0.777 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.29 151.31 0.37 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 103.0 -52.75 0.78 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.495 1.122 . . . . 0.0 110.995 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.747 ' ND2' HG11 ' A' ' 79' ' ' VAL . 1.2 m-20 57.58 100.03 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.484 0.755 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.59 ' CG1' HD21 ' A' ' 91' ' ' LEU . 2.5 t -108.04 -22.32 5.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.592 ' O ' HD11 ' A' ' 91' ' ' LEU . 9.4 pt20 43.85 -172.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 110.295 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.431 ' O ' ' NH2' ' A' ' 112' ' ' ARG . . . 99.93 24.22 10.02 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.55 1.156 . . . . 0.0 110.967 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.408 ' O ' ' CD ' ' A' ' 112' ' ' ARG . 95.9 m-20 60.44 50.76 5.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 0.756 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.947 HD22 ' CH2' ' A' ' 34' ' ' TRP . 2.0 mp -62.52 -178.61 0.2 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 109.284 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.586 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 28.9 p90 -139.86 159.98 40.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 111.0 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.44 ' HZ2' ' HB3' ' A' ' 101' ' ' HIS . 0.0 OUTLIER -126.84 164.93 20.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 53.8 t -125.38 105.74 15.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.263 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.788 HG23 ' CE1' ' A' ' 101' ' ' HIS . 54.9 mt -84.56 104.98 13.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 82.5 p -76.72 -162.07 0.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 110.416 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.87 -19.77 47.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.418 ' O ' ' C ' ' A' ' 99' ' ' ASP . 21.9 t70 -99.77 24.06 8.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.418 ' C ' ' O ' ' A' ' 98' ' ' ASP . 27.2 m-20 38.9 46.33 1.07 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.419 HG21 ' CZ ' ' A' ' 102' ' ' TYR . 20.9 m -75.52 -55.34 5.77 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.502 1.127 . . . . 0.0 110.386 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.788 ' CE1' HG23 ' A' ' 95' ' ' ILE . 0.4 OUTLIER 78.19 91.02 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.634 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.419 ' CZ ' HG21 ' A' ' 100' ' ' THR . 47.9 m-85 -98.14 106.52 18.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 -76.63 130.01 37.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 111.023 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.586 ' HB ' ' CZ ' ' A' ' 92' ' ' PHE . 20.8 mt -134.29 167.55 25.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.844 ' HB3' ' HB3' ' A' ' 25' ' ' ALA . 5.0 tt0 -123.03 147.09 47.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.266 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.651 ' HB3' ' HG3' ' A' ' 112' ' ' ARG . . . -105.86 155.4 19.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.359 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 29.2 m -61.19 -52.7 63.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 109.986 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 15.4 m -129.93 171.82 12.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.013 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.17 -49.18 69.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.21 -51.28 69.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.32 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.417 ' HG3' ' CD1' ' A' ' 115' ' ' TRP . 0.2 OUTLIER -46.07 -38.02 7.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 110.298 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.651 ' HG3' ' HB3' ' A' ' 106' ' ' ALA . 0.3 OUTLIER -62.15 -76.81 0.05 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.106 . . . . 0.0 110.293 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 112' ' ' ARG . . . -39.56 -36.27 0.38 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 109.361 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -69.8 -54.89 11.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 110.322 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' TRP . . . . . 0.621 ' CD1' HD21 ' A' ' 24' ' ' LEU . 45.3 m95 -56.83 -23.72 45.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 107.96 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.562 HD11 ' HB3' ' A' ' 92' ' ' PHE . 96.4 mt -83.79 -75.77 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 109.279 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 116' ' ' ILE . 2.1 tt0 -37.25 -38.98 0.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.563 1.164 . . . . 0.0 110.315 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.526 ' HB1' HD13 ' A' ' 41' ' ' LEU . . . -55.24 -64.01 0.98 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 109.296 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.604 HD12 ' O ' ' A' ' 115' ' ' TRP . 13.8 mt -46.59 -53.04 3.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.513 ' CG ' ' CG1' ' A' ' 71' ' ' VAL . 23.3 mttt -44.8 -45.24 9.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 15.6 mttt -51.9 -56.03 16.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 1.01 HD12 ' CB ' ' A' ' 46' ' ' ALA . 2.9 mm? -55.21 -54.92 37.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' THR . . . . . 0.512 HG23 ' O ' ' A' ' 119' ' ' ILE . 50.4 p -56.14 -30.99 62.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 110.426 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' SER . . . . . 0.404 ' N ' ' O ' ' A' ' 120' ' ' LYS . 60.7 p -177.09 124.3 0.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.012 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -79.15 115.96 4.22 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.504 1.128 . . . . 0.0 110.993 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 121.42 6.56 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.481 1.779 . . . . 0.0 111.0 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 40.82 87.79 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.132 . . . . 0.0 109.972 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -162.48 143.16 10.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.12 . . . . 0.0 110.009 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.505 1.128 . . . . 0.0 110.982 -179.968 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -158.47 117.4 3.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 0.795 . . . . 0.0 109.95 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.2 m 62.45 139.5 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 110.022 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.35 -138.78 3.58 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.522 1.139 . . . . 0.0 110.99 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 61.56 164.31 0.08 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.545 0.791 . . . . 0.0 109.977 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -178.39 164.98 1.76 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 110.008 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.96 -86.11 0.1 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.563 1.164 . . . . 0.0 110.995 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.6 m 53.9 100.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 0.753 . . . . 0.0 109.968 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.37 -60.76 0.41 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.262 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -143.79 131.64 21.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.03 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.8 m -84.68 167.53 16.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.566 1.166 . . . . 0.0 110.403 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.791 HG13 ' H ' ' A' ' 13' ' ' GLU . 2.0 p -148.39 -69.02 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.791 ' H ' HG13 ' A' ' 12' ' ' VAL . 43.3 mt-10 -57.4 -46.7 83.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.237 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.926 HD11 ' CG ' ' A' ' 49' ' ' HIS . 1.9 mm? -83.86 6.72 20.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.08 62.46 0.97 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.997 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.403 ' HA2' ' O ' ' A' ' 44' ' ' ASP . . . -141.76 166.25 26.28 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.463 1.102 . . . . 0.0 111.017 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.467 ' CB ' ' HD3' ' A' ' 43' ' ' LYS . 4.8 m -70.12 142.03 52.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 0.793 . . . . 0.0 110.402 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.437 HG13 ' HG3' ' A' ' 21' ' ' GLN . 2.2 t -76.68 125.65 36.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.731 HG13 ' HD2' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -108.27 -36.59 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.282 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.565 ' HG2' ' CD2' ' A' ' 115' ' ' TRP . 3.4 tptt -155.18 140.53 17.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.655 ' OE1' HG23 ' A' ' 40' ' ' VAL . 19.4 mt-30 -144.6 144.37 31.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 110.295 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 167.18 -166.63 39.35 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.5 1.125 . . . . 0.0 110.993 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.573 ' CE2' ' HB2' ' A' ' 38' ' ' ARG . 48.4 m-85 -118.48 121.55 40.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 0.785 . . . . 0.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.55 HD21 ' CD1' ' A' ' 115' ' ' TRP . 15.2 mt -114.39 173.78 6.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.262 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -120.16 109.62 15.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.097 . . . . 0.0 109.303 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.4 tttt -88.04 138.03 31.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -92.64 116.49 29.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 110.301 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.73 -106.93 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.453 1.096 . . . . 0.0 110.999 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -148.67 -64.86 0.24 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 0.758 . . . . 0.0 109.578 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.408 ' O ' ' N ' ' A' ' 32' ' ' LYS . 2.7 tttt -144.31 172.64 12.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.348 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 17.0 mtt180 62.06 -83.04 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.32 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 30' ' ' LYS . 0.5 OUTLIER -68.99 108.43 3.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.262 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -64.53 -155.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 26.0 m95 -65.52 144.07 57.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 108.006 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.87 128.26 43.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.268 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.5 t -73.94 118.06 18.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.639 ' HD3' HG21 ' A' ' 61' ' ' VAL . 3.8 mtm-85 -126.22 152.54 45.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.443 1.089 . . . . 0.0 110.305 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.573 ' HB2' ' CE2' ' A' ' 23' ' ' TYR . 0.8 OUTLIER -86.75 103.93 15.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 110.324 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -97.11 136.28 37.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.968 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.731 ' O ' HD12 ' A' ' 48' ' ' LEU . 10.6 p -120.58 137.43 54.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.63 ' HG ' HD13 ' A' ' 48' ' ' LEU . 0.6 OUTLIER -113.46 113.64 25.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 109.277 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.441 ' NH1' ' O ' ' A' ' 14' ' ' LEU . 1.6 mtp180 -120.22 146.65 45.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 110.301 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.731 ' HD2' HG13 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -119.69 159.84 23.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.137 . . . . 0.0 109.334 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.451 ' HA ' ' HA ' ' A' ' 45' ' ' PRO . 1.1 m-20 37.95 80.01 0.29 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.496 ' HB2' ' CD1' ' A' ' 47' ' ' PHE . 18.2 Cg_endo -74.98 164.49 88.27 Favored 'Cis proline' 0 C--N 1.36 1.148 0 C-N-CA 120.987 -2.505 . . . . 0.0 110.968 0.011 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.443 ' HB1' ' HB3' ' A' ' 122' ' ' LEU . . . -89.48 97.87 11.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 109.316 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.496 ' CD1' ' HB2' ' A' ' 45' ' ' PRO . 28.3 m-85 -141.98 174.8 10.26 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 0.0 110.975 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.731 HD12 ' O ' ' A' ' 40' ' ' VAL . 10.1 tp -149.4 113.59 5.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.266 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.926 ' CG ' HD11 ' A' ' 14' ' ' LEU . 39.7 m80 -119.81 159.77 23.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.577 1.173 . . . . 0.0 109.601 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.434 ' O ' HG23 ' A' ' 61' ' ' VAL . 25.0 p90 -140.61 141.89 35.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.943 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.63 ' HA ' HG23 ' A' ' 61' ' ' VAL . 30.7 m-85 -114.3 156.38 24.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 110.998 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.564 ' N ' ' CG2' ' A' ' 61' ' ' VAL . 2.3 p30 -95.55 129.65 34.18 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.349 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -39.68 1.11 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.523 1.801 . . . . 0.0 110.969 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 47.7 t -55.95 -42.12 75.71 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 0.0 110.003 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.8 mmpt? -104.33 -171.72 1.98 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.1 . . . . 0.0 109.321 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -128.06 -102.88 0.33 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 110.254 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 68.78 135.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 110.28 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.425 ' O ' ' CD ' ' A' ' 59' ' ' ARG . 37.7 m-20 -76.32 67.78 2.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.144 . . . . 0.0 109.328 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.425 ' CD ' ' O ' ' A' ' 58' ' ' ASN . 0.2 OUTLIER 164.68 167.42 0.07 OUTLIER Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 0.0 110.275 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.603 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 18.2 Cg_endo -74.98 174.67 12.38 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.507 1.793 . . . . 0.0 111.007 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.639 HG21 ' HD3' ' A' ' 37' ' ' ARG . 0.4 OUTLIER -86.33 -13.66 10.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.326 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.427 ' HA3' ' CZ ' ' A' ' 50' ' ' TYR . . . -170.85 -125.72 0.83 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.513 1.133 . . . . 0.0 110.976 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.528 ' HA3' ' CD2' ' A' ' 49' ' ' HIS . . . 120.12 130.59 3.99 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.676 ' CE2' HD23 ' A' ' 48' ' ' LEU . 8.8 p90 -133.15 148.15 52.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 0.787 . . . . 0.0 111.007 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 91.1 p -63.84 153.86 35.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.993 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.608 ' O ' HG22 ' A' ' 123' ' ' THR . 12.9 mt -108.66 -27.09 10.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.15 -54.59 1.75 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 110.307 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -107.32 44.79 1.41 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.485 1.116 . . . . 0.0 111.01 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.416 ' OG ' ' HA ' ' A' ' 66' ' ' LEU . 17.1 p -120.21 -177.99 3.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 0.77 . . . . 0.0 109.99 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 95' ' ' ILE . 29.5 tp -154.44 151.31 28.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.573 ' CG1' ' HG3' ' A' ' 120' ' ' LYS . 3.4 p -133.87 141.33 44.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.441 1.088 . . . . 0.0 109.309 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 18.6 m -150.7 160.35 43.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.986 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -98.34 158.02 15.83 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.103 . . . . 0.0 109.272 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.878 HD12 ' HB2' ' A' ' 91' ' ' LEU . 4.9 mt -102.7 93.85 5.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.251 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -122.29 167.17 13.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 110.315 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 69.85 138.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.318 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.7 m120 61.38 118.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -40.98 -70.3 0.42 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.445 1.09 . . . . 0.0 111.001 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.471 ' CG1' ' O ' ' A' ' 83' ' ' VAL . 97.9 t -64.61 133.86 95.83 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.455 0.738 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 128.45 11.45 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.495 1.787 . . . . 0.0 110.988 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.477 ' CB ' ' OH ' ' A' ' 103' ' ' TYR . 27.1 m 43.37 -102.7 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.422 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.45 ' N ' HG22 ' A' ' 81' ' ' THR . . . -128.87 18.76 5.6 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.52 1.137 . . . . 0.0 110.993 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.471 ' O ' ' CG1' ' A' ' 79' ' ' VAL . 40.5 t -57.95 140.3 16.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.494 0.761 . . . . 0.0 109.267 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.6 mmtt -51.59 -96.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.306 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -84.11 118.13 4.62 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.547 1.155 . . . . 0.0 111.011 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -40.51 151.53 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 0.726 . . . . 0.0 109.268 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.495 HG12 ' H ' ' A' ' 88' ' ' GLN . 2.1 t -99.5 -139.39 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.257 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.495 ' H ' HG12 ' A' ' 87' ' ' VAL . 8.2 mm100 -73.08 -79.38 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.556 1.16 . . . . 0.0 110.285 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 169.13 -68.83 0.16 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.502 1.126 . . . . 0.0 111.027 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 62.5 m-80 -74.67 61.37 0.97 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 0.744 . . . . 0.0 109.289 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.878 ' HB2' HD12 ' A' ' 74' ' ' LEU . 1.2 mp -100.06 -174.71 2.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.343 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.5 ' HB3' HD11 ' A' ' 116' ' ' ILE . 2.9 p90 -163.41 155.25 17.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 111.057 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.433 ' NZ ' HD11 ' A' ' 95' ' ' ILE . 0.4 OUTLIER -121.73 165.97 15.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 84.3 t -127.02 102.21 9.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.903 HG23 ' CD2' ' A' ' 101' ' ' HIS . 58.8 mt -88.21 116.22 29.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 14.4 p -88.22 -170.96 3.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 110.36 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.99 -14.56 62.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -97.48 16.15 21.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.26 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.614 ' C ' ' CD2' ' A' ' 101' ' ' HIS . 0.2 OUTLIER 43.49 31.56 0.44 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.35 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.441 HG21 ' CZ ' ' A' ' 102' ' ' TYR . 25.5 m -62.92 -55.82 22.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 110.392 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.903 ' CD2' HG23 ' A' ' 95' ' ' ILE . 4.6 m170 79.28 94.85 0.06 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.118 . . . . 0.0 109.594 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.441 ' CZ ' HG21 ' A' ' 100' ' ' THR . 60.1 m-85 -101.92 110.16 22.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 110.952 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.477 ' OH ' ' CB ' ' A' ' 81' ' ' THR . 5.0 m-85 -78.1 129.48 35.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.989 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.512 HG22 ' N ' ' A' ' 105' ' ' GLN . 57.2 mt -137.15 166.91 24.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.333 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.726 ' OE1' HD23 ' A' ' 91' ' ' LEU . 8.2 tp60 -128.87 151.53 49.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.318 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.624 ' HB1' ' HB3' ' A' ' 111' ' ' GLU . . . -107.0 163.17 13.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.261 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 34.5 t -65.41 -44.02 88.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.022 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -138.65 169.91 16.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.953 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.31 -38.9 66.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -70.73 -52.6 19.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.289 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.624 ' HB3' ' HB1' ' A' ' 106' ' ' ALA . 0.6 OUTLIER -42.05 -38.14 1.57 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 110.305 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.463 ' HG2' HD12 ' A' ' 116' ' ' ILE . 0.0 OUTLIER -64.32 -69.37 0.29 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 110.276 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 112' ' ' ARG . . . -38.93 -45.57 1.2 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 109.328 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -61.67 -57.48 11.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 110.312 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' TRP . . . . . 0.565 ' CD2' ' HG2' ' A' ' 20' ' ' LYS . 48.6 m95 -54.35 -33.51 59.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 107.954 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.5 HD11 ' HB3' ' A' ' 92' ' ' PHE . 62.4 mt -74.14 -76.37 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 116' ' ' ILE . 2.9 tt0 -34.96 -42.43 0.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.261 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.51 ' HB1' HD13 ' A' ' 41' ' ' LEU . . . -56.4 -66.41 0.44 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.418 ' O ' ' C ' ' A' ' 120' ' ' LYS . 80.0 mt -40.79 -59.98 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.573 ' HG3' ' CG1' ' A' ' 71' ' ' VAL . 0.2 OUTLIER -39.37 -51.37 2.08 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.261 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 12.4 mttt -45.77 -60.05 2.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.336 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.508 HD23 HD13 ' A' ' 66' ' ' LEU . 0.3 OUTLIER -48.36 -56.88 6.97 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 123' ' ' THR . . . . . 0.608 HG22 ' O ' ' A' ' 66' ' ' LEU . 17.8 p -68.1 83.41 0.23 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.382 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 5.8 t -40.97 137.22 1.29 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 110.018 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 175.35 -149.02 9.85 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.464 1.103 . . . . 0.0 110.967 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 104.8 1.96 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.528 1.804 . . . . 0.0 111.007 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -107.21 154.24 21.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 110.004 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 27.0 t -132.68 128.63 37.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.985 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.479 1.112 . . . . 0.0 110.99 179.99 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.8 p 48.86 78.26 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 0.778 . . . . 0.0 109.994 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.3 t -59.43 139.26 57.24 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 109.972 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 67.48 65.86 2.58 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.448 1.093 . . . . 0.0 110.97 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -152.93 167.76 28.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.542 0.79 . . . . 0.0 109.974 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -120.05 94.39 4.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.006 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.51 -115.27 4.9 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.493 1.121 . . . . 0.0 110.978 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.8 m -144.99 166.78 24.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 0.776 . . . . 0.0 110.026 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -166.57 135.59 2.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -98.98 166.98 11.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.024 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.417 ' CG2' ' HB2' ' A' ' 14' ' ' LEU . 92.4 m -109.58 154.49 22.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.437 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.711 HG13 ' H ' ' A' ' 13' ' ' GLU . 2.7 p -139.55 -63.25 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.284 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.711 ' H ' HG13 ' A' ' 12' ' ' VAL . 76.8 mt-10 -57.2 -48.7 78.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 110.267 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.528 HD22 ' H ' ' A' ' 14' ' ' LEU . 0.7 OUTLIER -82.51 3.79 26.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.337 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -104.62 69.15 0.88 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 110.015 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -141.14 157.81 26.15 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.473 1.108 . . . . 0.0 111.015 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.3 m -68.02 115.8 7.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 0.774 . . . . 0.0 110.383 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.44 HG13 ' HG3' ' A' ' 21' ' ' GLN . 2.2 t -53.44 124.37 5.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.701 HG13 ' HE2' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -110.14 -30.48 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.349 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.544 ' HG2' ' CD2' ' A' ' 115' ' ' TRP . 3.3 tptt -154.87 143.48 20.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.772 ' NE2' HG23 ' A' ' 40' ' ' VAL . 10.9 mt-30 -146.72 149.85 34.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 0.0 110.316 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 160.17 -174.26 36.9 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.517 1.136 . . . . 0.0 111.036 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.563 ' CE2' ' HB2' ' A' ' 38' ' ' ARG . 76.9 m-85 -112.59 120.65 42.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 0.8 . . . . 0.0 111.013 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.774 HD22 ' O ' ' A' ' 105' ' ' GLN . 26.0 mt -115.43 167.63 10.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -113.66 105.67 13.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 18.3 tttt -85.36 130.69 34.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.511 ' HB2' ' CE2' ' A' ' 34' ' ' TRP . 1.0 OUTLIER -94.33 115.01 27.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.133 . . . . 0.0 110.294 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -111.01 -146.38 10.62 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.434 1.084 . . . . 0.0 111.023 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 11.2 t-80 -128.61 139.83 52.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 0.748 . . . . 0.0 109.63 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.7 mttt 59.42 176.08 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 109.316 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 68.86 -71.13 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 110.327 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -152.45 145.63 24.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.1 . . . . 0.0 109.328 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -67.5 -49.76 61.99 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.573 ' CZ2' HG21 ' A' ' 87' ' ' VAL . 64.7 m95 -135.78 130.45 34.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 108.003 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.28 122.5 28.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.3 t -60.64 136.69 24.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.562 1.164 . . . . 0.0 109.29 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.34 147.5 31.4 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 110.289 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.563 ' HB2' ' CE2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -80.76 102.89 10.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 0.0 110.263 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.489 ' CD1' ' HB2' ' A' ' 24' ' ' LEU . 15.7 m-85 -96.86 131.66 43.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.105 . . . . 0.0 111.018 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.869 ' O ' HD12 ' A' ' 48' ' ' LEU . 14.0 p -117.21 143.26 28.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.807 ' HG ' HD13 ' A' ' 48' ' ' LEU . 0.7 OUTLIER -117.63 144.6 45.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 76.9 mtt85 -139.76 164.48 29.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 0.0 110.305 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.701 ' HE2' HG13 ' A' ' 19' ' ' VAL . 3.0 pttt -141.35 143.18 33.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.459 ' N ' ' C ' ' A' ' 45' ' ' PRO . 8.7 t70 43.52 79.33 0.34 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.459 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.2 Cg_endo -74.96 169.79 73.57 Favored 'Cis proline' 0 C--N 1.36 1.165 0 C-N-CA 121.014 -2.494 . . . . 0.0 110.963 -0.037 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.454 ' HB1' ' HB3' ' A' ' 122' ' ' LEU . . . -97.9 108.5 21.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 0.0 109.309 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.517 ' CZ ' ' HG2' ' A' ' 13' ' ' GLU . 19.8 m-85 -150.06 167.91 25.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 111.022 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.869 HD12 ' O ' ' A' ' 40' ' ' VAL . 7.5 tp -148.91 113.66 5.38 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.636 ' O ' HG12 ' A' ' 40' ' ' VAL . 51.8 m-70 -121.02 159.59 25.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.092 . . . . 0.0 109.624 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.459 ' HB3' ' CD2' ' A' ' 39' ' ' PHE . 32.0 p90 -142.78 142.82 31.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 110.987 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.941 ' HA ' HG23 ' A' ' 61' ' ' VAL . 16.4 m-85 -118.0 156.27 28.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.133 . . . . 0.0 110.985 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -85.68 122.99 73.09 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 0.33 9.06 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.428 1.752 . . . . 0.0 111.011 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 75.3 m -103.52 -51.1 3.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.093 . . . . 0.0 109.973 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 27.0 mmtt -68.98 179.54 1.81 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -148.53 101.96 3.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 110.277 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -153.44 155.6 36.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.274 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -86.76 66.11 9.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 109.277 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 171.94 160.39 0.25 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 110.284 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.623 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 18.5 Cg_endo -74.95 167.5 26.91 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.543 1.812 . . . . 0.0 111.02 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.941 HG23 ' HA ' ' A' ' 51' ' ' TYR . 4.9 t -84.39 -30.89 7.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -155.8 -117.42 0.57 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.484 1.115 . . . . 0.0 110.984 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 100.95 129.17 6.6 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.756 ' CZ ' HD23 ' A' ' 48' ' ' LEU . 9.8 p90 -122.18 149.52 43.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 0.779 . . . . 0.0 111.017 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 11.0 p -74.47 131.39 40.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.018 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 68' ' ' GLY . 80.2 mt -71.11 -44.7 65.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 109.263 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 11.8 mmt180 -40.28 95.93 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.545 1.153 . . . . 0.0 110.272 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 66' ' ' LEU . . . 96.2 38.3 4.6 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.462 1.101 . . . . 0.0 110.998 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 66' ' ' LEU . 8.8 m -122.91 -179.18 4.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.437 0.728 . . . . 0.0 109.95 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.996 HD13 ' N ' ' A' ' 71' ' ' VAL . 3.0 tm? -156.24 157.14 35.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.324 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.996 ' N ' HD13 ' A' ' 70' ' ' LEU . 3.0 p -142.07 141.57 28.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.1 m -148.74 163.52 37.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.985 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -95.85 153.81 17.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 109.329 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.841 HD12 ' HB2' ' A' ' 91' ' ' LEU . 0.7 OUTLIER -97.03 174.23 6.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 109.289 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -70.28 140.81 52.41 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 110.299 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -108.94 85.59 2.13 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 178.59 84.98 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.414 ' O ' ' O ' ' A' ' 79' ' ' VAL . . . 46.72 93.27 0.01 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.43 1.081 . . . . 0.0 111.012 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.618 HG23 ' HA ' ' A' ' 86' ' ' ASN . 0.5 OUTLIER 61.77 139.37 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.466 0.745 . . . . 0.0 109.265 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 79' ' ' VAL . 18.2 Cg_endo -75.0 -79.62 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.578 1.831 . . . . 0.0 110.996 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 33.8 p -123.49 -124.54 0.26 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.406 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -87.98 39.25 3.12 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.507 1.129 . . . . 0.0 111.021 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 53.4 t -87.36 99.71 8.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.475 0.75 . . . . 0.0 109.334 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.59 136.97 4.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.333 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 111.02 -126.28 7.72 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.535 1.147 . . . . 0.0 110.944 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.618 ' HA ' HG23 ' A' ' 79' ' ' VAL . 1.9 m120 -153.99 -45.4 0.09 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 0.774 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.622 HG13 HD11 ' A' ' 91' ' ' LEU . 0.3 OUTLIER 49.92 175.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 109.295 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -76.28 -161.96 0.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.319 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -132.56 47.68 1.0 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.465 1.103 . . . . 0.0 111.012 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 17.6 p-10 -174.04 47.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.569 0.805 . . . . 0.0 109.286 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.841 ' HB2' HD12 ' A' ' 74' ' ' LEU . 0.6 OUTLIER -106.07 -174.61 2.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.667 ' HB3' HD11 ' A' ' 116' ' ' ILE . 36.9 p90 -147.37 177.28 9.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 110.975 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.42 ' HG2' ' CD2' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -143.28 163.94 31.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 55.2 t -122.0 118.22 54.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.137 . . . . 0.0 109.293 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.451 ' N ' ' O ' ' A' ' 70' ' ' LEU . 61.1 mt -99.94 101.13 11.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 18.0 p -73.55 -168.72 0.59 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.389 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.48 -9.8 58.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.335 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -101.88 13.78 33.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.269 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.441 ' HB3' ' HE1' ' A' ' 101' ' ' HIS . 5.5 m-20 42.8 43.11 3.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 16.2 m -73.58 -52.62 12.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.377 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.441 ' HE1' ' HB3' ' A' ' 99' ' ' ASP . 0.6 OUTLIER 79.68 83.71 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.559 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -89.86 112.49 23.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.982 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 -79.11 118.81 21.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.997 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.435 HG22 ' N ' ' A' ' 105' ' ' GLN . 70.2 mt -125.22 162.24 28.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 109.271 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.774 ' O ' HD22 ' A' ' 24' ' ' LEU . 25.8 tt0 -120.15 155.07 33.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 110.336 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.471 ' HA ' HD22 ' A' ' 24' ' ' LEU . . . -111.26 154.04 25.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.252 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.7 t -67.23 -52.25 43.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.45 1.093 . . . . 0.0 109.993 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.16 168.44 17.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.017 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -47.76 -55.53 9.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -54.79 -54.91 35.96 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.498 ' HG3' ' CD1' ' A' ' 115' ' ' TRP . 0.8 OUTLIER -43.44 -37.9 2.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 110.333 179.94 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.453 ' HA ' ' HB2' ' A' ' 106' ' ' ALA . 0.0 OUTLIER -56.46 -73.08 0.07 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 110.299 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.491 ' O ' ' N ' ' A' ' 117' ' ' GLU . . . -48.45 -48.96 37.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.441 ' OE1' ' NZ ' ' A' ' 20' ' ' LYS . 3.0 mt-10 -47.22 -67.39 0.28 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 110.307 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' TRP . . . . . 0.544 ' CD2' ' HG2' ' A' ' 20' ' ' LYS . 72.6 m95 -49.22 -45.51 44.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 107.999 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.667 HD11 ' HB3' ' A' ' 92' ' ' PHE . 14.2 mt -57.65 -78.42 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 113' ' ' ALA . 0.8 OUTLIER -38.32 -45.98 1.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 110.283 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.401 ' HB1' HD13 ' A' ' 41' ' ' LEU . . . -48.55 -54.26 15.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.602 ' O ' HG23 ' A' ' 123' ' ' THR . 6.1 mt -53.89 -54.7 18.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.751 ' HD2' HG13 ' A' ' 71' ' ' VAL . 0.0 OUTLIER -51.68 -51.36 56.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.338 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 21.5 mttt -40.31 -60.29 1.12 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.328 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.454 ' HB3' ' HB1' ' A' ' 46' ' ' ALA . 0.7 OUTLIER -52.13 -55.38 21.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 109.317 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 123' ' ' THR . . . . . 0.602 HG23 ' O ' ' A' ' 119' ' ' ILE . 24.2 p -67.16 75.21 0.13 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.392 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 34.0 t -179.33 -59.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.982 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 77.28 73.58 1.04 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.498 1.124 . . . . 0.0 111.02 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -56.18 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.507 1.793 . . . . 0.0 110.995 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 17.2 m -151.28 153.3 34.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 110.022 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 51.89 91.76 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 109.98 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.496 1.122 . . . . 0.0 110.956 -179.979 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 111.019 -0.833 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 58.68 97.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 0.775 . . . . 0.0 109.975 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 m -162.44 169.63 20.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 110.014 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.12 103.02 0.18 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.519 1.137 . . . . 0.0 110.96 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -142.64 165.2 28.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 0.77 . . . . 0.0 110.014 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.6 m -129.3 141.38 51.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.565 1.166 . . . . 0.0 110.006 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -106.36 -157.78 21.77 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.574 1.172 . . . . 0.0 111.03 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -134.18 -57.15 0.86 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 0.741 . . . . 0.0 110.028 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.45 56.98 1.18 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 13.5 p -142.72 93.83 2.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 110.031 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.442 HG21 ' HB2' ' A' ' 14' ' ' LEU . 74.3 m -78.22 161.03 27.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 110.4 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.735 HG13 ' H ' ' A' ' 13' ' ' GLU . 2.4 p -146.07 -65.22 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.569 1.168 . . . . 0.0 109.269 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.735 ' H ' HG13 ' A' ' 12' ' ' VAL . 73.2 mt-10 -57.01 -47.44 80.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 110.326 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.525 HD23 ' CD2' ' A' ' 49' ' ' HIS . 0.7 OUTLIER -82.03 -11.24 58.92 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -84.75 49.29 1.68 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.554 1.159 . . . . 0.0 110.026 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -121.71 156.3 16.58 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.499 1.124 . . . . 0.0 110.94 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.3 m -69.24 125.02 25.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 0.761 . . . . 0.0 110.418 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.538 HG13 ' HG3' ' A' ' 21' ' ' GLN . 2.3 t -61.12 121.91 10.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.638 HG13 ' HE2' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -110.31 -31.74 2.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.528 ' HG2' ' CE3' ' A' ' 115' ' ' TRP . 3.1 tptt -151.23 140.47 21.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.359 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.538 ' HG3' HG13 ' A' ' 18' ' ' VAL . 24.4 mt-30 -145.3 151.37 38.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.299 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 157.03 -169.44 34.17 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.523 1.139 . . . . 0.0 110.996 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.483 ' O ' HD23 ' A' ' 24' ' ' LEU . 79.9 m-85 -112.22 134.2 53.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 0.787 . . . . 0.0 111.009 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.597 HD11 ' CD2' ' A' ' 115' ' ' TRP . 25.6 mt -134.63 167.52 20.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.133 . . . . 0.0 109.271 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.502 ' HB3' ' HB3' ' A' ' 105' ' ' GLN . . . -109.07 138.38 45.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.345 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 13.0 tttt -107.59 106.76 17.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.095 . . . . 0.0 109.318 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.508 ' HA ' ' CG ' ' A' ' 34' ' ' TRP . 11.3 tt0 -56.76 118.1 4.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.277 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -144.2 -74.71 0.03 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.462 1.101 . . . . 0.0 110.987 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.4 t-80 -178.66 138.82 0.17 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 0.768 . . . . 0.0 109.549 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -180.0 176.85 0.7 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 7.5 mmt180 -38.86 -77.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 110.313 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -108.67 -96.23 0.39 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -72.67 -175.3 1.63 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.335 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.614 ' N ' ' CD1' ' A' ' 34' ' ' TRP . 0.0 OUTLIER -84.44 -169.33 2.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 108.01 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.421 ' O ' ' HA ' ' A' ' 25' ' ' ALA . 0.5 OUTLIER -104.4 161.47 14.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.113 . . . . 0.0 109.337 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.0 t -100.16 142.64 15.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.467 1.104 . . . . 0.0 109.268 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -143.77 155.34 44.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.313 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.42 ' O ' ' HA ' ' A' ' 50' ' ' TYR . 10.9 ttp85 -84.38 105.03 14.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 110.246 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.526 ' CD1' ' HB2' ' A' ' 24' ' ' LEU . 25.6 m-85 -97.14 136.56 37.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 111.016 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.886 ' O ' HD12 ' A' ' 48' ' ' LEU . 11.8 p -121.6 139.52 48.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.698 ' HG ' HD13 ' A' ' 48' ' ' LEU . 0.3 OUTLIER -114.44 134.89 54.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.447 ' NH1' ' O ' ' A' ' 14' ' ' LEU . 88.8 mtt-85 -132.2 161.51 33.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.318 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.638 ' HE2' HG13 ' A' ' 19' ' ' VAL . 2.7 pttt -136.79 141.09 42.92 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.475 ' N ' ' O ' ' A' ' 45' ' ' PRO . 2.4 m-20 49.42 80.02 0.32 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.491 ' CG ' ' O ' ' A' ' 12' ' ' VAL . 18.2 Cg_endo -74.98 174.23 53.75 Favored 'Cis proline' 0 C--N 1.36 1.144 0 C-N-CA 121.012 -2.495 . . . . 0.0 110.978 -0.029 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.984 ' HB1' ' HB3' ' A' ' 122' ' ' LEU . . . -99.9 105.97 17.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.081 . . . . 0.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.431 ' CZ ' ' HG2' ' A' ' 13' ' ' GLU . 37.3 m-85 -150.42 168.89 22.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 110.999 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.886 HD12 ' O ' ' A' ' 40' ' ' VAL . 12.9 tp -143.7 114.43 7.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 109.305 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.525 ' CD2' HD23 ' A' ' 14' ' ' LEU . 41.5 m-70 -116.24 164.19 14.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 109.547 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.42 ' HA ' ' O ' ' A' ' 38' ' ' ARG . 38.5 p90 -148.03 144.52 27.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 111.016 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.919 ' HA ' HG23 ' A' ' 61' ' ' VAL . 8.5 m-85 -118.65 155.38 31.1 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 110.984 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.43 ' OD2' ' N ' ' A' ' 55' ' ' LYS . 29.7 t70 -83.61 120.67 75.69 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 109.298 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -5.38 16.69 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.505 1.792 . . . . 0.0 110.96 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.21 -48.05 5.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.447 1.092 . . . . 0.0 110.009 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.43 ' N ' ' OD2' ' A' ' 52' ' ' ASP . 6.5 mmtt -73.95 -175.92 2.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.102 . . . . 0.0 109.268 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -150.64 104.62 3.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 110.286 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -155.67 154.45 31.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.147 . . . . 0.0 110.33 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 34.5 m-80 -86.86 68.03 9.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.455 1.097 . . . . 0.0 109.292 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 170.07 161.61 0.2 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 110.313 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.62 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 18.1 Cg_endo -74.99 169.16 23.24 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.511 1.795 . . . . 0.0 110.968 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.919 HG23 ' HA ' ' A' ' 51' ' ' TYR . 4.5 t -89.45 -30.63 5.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.128 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -154.58 -116.34 0.58 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.458 1.099 . . . . 0.0 111.015 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 107.02 131.51 6.73 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.832 ' CZ ' HD23 ' A' ' 48' ' ' LEU . 1.4 p90 -126.44 156.5 40.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 0.768 . . . . 0.0 110.991 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.3 t -69.46 150.09 47.58 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.501 1.126 . . . . 0.0 110.006 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.725 ' O ' HG22 ' A' ' 123' ' ' THR . 77.8 mt -104.38 -37.64 7.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 66' ' ' LEU . 1.1 mmt180 -37.63 -57.24 0.98 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 110.263 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -101.77 50.67 0.96 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.512 1.133 . . . . 0.0 111.0 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 24.3 p -130.52 -178.24 4.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 0.765 . . . . 0.0 110.013 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 1.032 HD13 ' N ' ' A' ' 71' ' ' VAL . 3.1 tm? -152.69 153.37 33.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.345 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 1.032 ' N ' HD13 ' A' ' 70' ' ' LEU . 7.3 p -138.85 140.19 39.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.7 p -144.65 171.56 14.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 110.02 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -111.66 156.27 22.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.554 HD12 ' HB2' ' A' ' 91' ' ' LEU . 0.9 OUTLIER -102.28 138.91 38.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -99.84 174.67 6.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 110.276 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 63.94 144.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 24.4 p30 -107.46 173.41 6.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.277 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 64.83 75.26 0.4 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.486 1.116 . . . . 0.0 110.984 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.79 HG22 ' HA ' ' A' ' 86' ' ' ASN . 54.3 t 63.12 129.82 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.536 0.786 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 79' ' ' VAL . 18.2 Cg_endo -75.02 -89.91 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.501 1.79 . . . . 0.0 110.99 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 3.3 m -140.06 97.48 3.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 110.397 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 46.0 60.96 4.19 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.496 1.122 . . . . 0.0 110.989 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 3.0 t -116.16 152.38 17.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.463 0.743 . . . . 0.0 109.275 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 3.6 mmpt? -50.3 158.2 0.6 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 109.294 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 38.9 -137.32 1.01 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.509 1.131 . . . . 0.0 110.998 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.79 ' HA ' HG22 ' A' ' 79' ' ' VAL . 0.1 OUTLIER -135.7 15.29 3.38 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 0.754 . . . . 0.0 109.326 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.557 HG12 ' CZ2' ' A' ' 34' ' ' TRP . 15.9 m 44.89 -170.12 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.5 ' CG ' HD21 ' A' ' 91' ' ' LEU . 4.0 mm-40 -84.41 -52.87 5.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.29 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 139.62 -16.43 3.1 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.536 1.147 . . . . 0.0 111.022 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 22.0 m120 -135.6 48.91 2.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.554 0.797 . . . . 0.0 109.28 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.554 ' HB2' HD12 ' A' ' 74' ' ' LEU . 4.7 mt -77.53 -164.1 0.45 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 109.317 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.573 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 32.0 p90 -164.54 151.99 11.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 111.007 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.74 ' NZ ' HD11 ' A' ' 95' ' ' ILE . 0.0 OUTLIER -109.8 160.7 16.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.497 HG13 ' O ' ' A' ' 70' ' ' LEU . 96.2 t -135.6 105.28 5.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.74 HD11 ' NZ ' ' A' ' 93' ' ' LYS . 11.9 mt -86.9 116.29 29.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 31.5 p -92.45 172.99 8.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.428 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -56.93 -17.33 9.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.66 19.12 3.56 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 47.21 33.48 2.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 66.8 m -104.2 118.82 37.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.566 1.166 . . . . 0.0 110.368 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -85.85 100.61 12.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.613 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -90.91 100.1 13.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 110.962 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -74.71 114.3 12.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 111.03 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.573 ' HB ' ' CZ ' ' A' ' 92' ' ' PHE . 61.8 mt -111.67 160.01 11.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.502 ' HB3' ' HB3' ' A' ' 25' ' ' ALA . 11.8 tt0 -113.58 141.46 47.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.328 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.429 ' HB1' ' HB3' ' A' ' 111' ' ' GLU . . . -105.39 148.8 26.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.56 -45.91 84.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 109.988 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.7 -176.5 4.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 109.992 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 8.8 tmtt? -64.06 -36.78 85.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 111' ' ' GLU . . . -74.2 -53.91 8.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.564 1.165 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.429 ' HB3' ' HB1' ' A' ' 106' ' ' ALA . 0.7 OUTLIER -38.09 -41.12 0.55 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 110.319 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.417 ' HB2' ' CB ' ' A' ' 106' ' ' ALA . 9.8 ttp180 -64.82 -68.9 0.32 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.317 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 112' ' ' ARG . . . -40.31 -40.35 1.14 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 42.2 mm-40 -68.2 -58.85 3.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.278 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' TRP . . . . . 0.597 ' CD2' HD11 ' A' ' 24' ' ' LEU . 52.3 m95 -53.35 -24.34 11.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 107.978 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.457 HG22 ' CE ' ' A' ' 120' ' ' LYS . 39.1 mt -81.63 -77.01 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 116' ' ' ILE . 2.1 tt0 -35.69 -40.82 0.19 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 110.264 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.428 ' O ' ' N ' ' A' ' 121' ' ' LYS . . . -56.51 -68.1 0.24 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.553 HD12 ' O ' ' A' ' 115' ' ' TRP . 27.0 mt -40.81 -59.72 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.659 ' HD2' HG13 ' A' ' 71' ' ' VAL . 0.0 OUTLIER -38.75 -41.73 0.74 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 109.256 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.449 ' O ' ' CA ' ' A' ' 125' ' ' GLY . 15.0 mttt -58.84 -58.43 8.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 109.343 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.984 ' HB3' ' HB1' ' A' ' 46' ' ' ALA . 0.3 OUTLIER -51.15 -57.11 9.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.245 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 123' ' ' THR . . . . . 0.725 HG22 ' O ' ' A' ' 66' ' ' LEU . 18.4 p -51.6 -102.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 110.383 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 123' ' ' THR . 0.1 OUTLIER -37.58 -57.79 0.93 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.995 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 125' ' ' GLY . . . . . 0.449 ' CA ' ' O ' ' A' ' 121' ' ' LYS . . . 137.93 156.16 7.08 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.495 1.122 . . . . 0.0 110.992 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -163.53 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.513 1.796 . . . . 0.0 110.989 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 42.96 83.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.01 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 33.7 t -126.55 -55.18 1.43 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.988 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.946 0 O-C-N 124.525 1.141 . . . . 0.0 111.02 179.986 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 62.0 152.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.447 0.734 . . . . 0.0 110.022 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.5 t -136.17 -57.9 0.75 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 110.015 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.29 -157.54 28.89 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.473 1.108 . . . . 0.0 110.973 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.7 p -166.51 155.42 10.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 0.769 . . . . 0.0 109.986 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.2 m -122.71 160.94 24.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.967 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -113.32 126.16 7.31 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.492 1.12 . . . . 0.0 110.986 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 177.71 -59.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 0.777 . . . . 0.0 110.008 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 67.51 60.36 0.48 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 80.5 p -144.83 115.07 7.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.127 . . . . 0.0 110.032 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.1 m -120.25 156.31 31.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 110.417 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.737 HG13 ' H ' ' A' ' 13' ' ' GLU . 2.5 p -142.31 -64.93 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.737 ' H ' HG13 ' A' ' 12' ' ' VAL . 40.5 mt-10 -58.62 -46.71 86.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.308 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.579 HD21 ' CG ' ' A' ' 49' ' ' HIS . 0.5 OUTLIER -87.6 5.05 41.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.419 ' HB2' ' CA ' ' A' ' 12' ' ' VAL . 0.1 OUTLIER -90.66 -14.22 32.71 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.501 1.126 . . . . 0.0 109.966 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -57.6 155.87 18.22 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.522 1.139 . . . . 0.0 110.975 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.9 m -68.19 126.24 28.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 0.778 . . . . 0.0 110.423 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.497 HG13 ' HG3' ' A' ' 21' ' ' GLN . 2.2 t -60.9 121.24 8.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 109.302 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.518 HG13 ' HE2' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -110.81 -31.11 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.52 ' HG2' ' CD2' ' A' ' 115' ' ' TRP . 4.4 tptt -151.56 143.1 23.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 109.334 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.502 ' HG2' HG23 ' A' ' 40' ' ' VAL . 27.3 mt-30 -150.98 153.57 35.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 110.301 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 156.54 -158.18 28.52 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.53 1.144 . . . . 0.0 111.014 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.465 ' CE2' ' HB2' ' A' ' 38' ' ' ARG . 31.4 m-85 -122.89 124.87 44.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 0.783 . . . . 0.0 110.995 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.656 HD21 ' CD1' ' A' ' 115' ' ' TRP . 26.7 mt -116.83 169.09 9.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.903 ' HB3' ' HB3' ' A' ' 105' ' ' GLN . . . -114.86 109.88 18.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.1 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 73.3 tttt -96.63 110.51 22.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.267 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -63.69 127.58 31.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.282 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -117.72 -131.31 4.48 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.476 1.11 . . . . 0.0 111.033 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -172.25 168.42 5.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 0.771 . . . . 0.0 109.554 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.4 tmtt? 74.29 -68.56 0.21 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.333 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -100.77 121.01 40.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 110.324 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.3 175.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 37.9 m-80 -102.42 -47.1 4.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.251 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.749 ' CZ2' HG21 ' A' ' 87' ' ' VAL . 39.7 m95 -133.56 125.27 28.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 108.012 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.82 133.93 55.5 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.431 ' O ' ' NH1' ' A' ' 37' ' ' ARG . 2.1 t -69.95 143.56 14.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.448 ' HB2' ' NH1' ' A' ' 37' ' ' ARG . 0.2 OUTLIER -146.64 133.93 20.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.275 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.465 ' HB2' ' CE2' ' A' ' 23' ' ' TYR . 10.8 ttp180 -75.25 103.94 5.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 110.311 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.465 ' CD1' ' HB2' ' A' ' 24' ' ' LEU . 12.9 m-85 -96.71 150.87 20.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.729 ' O ' HD12 ' A' ' 48' ' ' LEU . 14.6 p -135.95 132.78 50.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.342 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.701 ' HG ' HD13 ' A' ' 48' ' ' LEU . 0.5 OUTLIER -109.92 141.89 42.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.33 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.43 ' CD ' ' HA ' ' A' ' 14' ' ' LEU . 3.2 mtt85 -139.86 166.63 24.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.314 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.518 ' HE2' HG13 ' A' ' 19' ' ' VAL . 0.9 OUTLIER -132.81 145.35 50.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.464 1.102 . . . . 0.0 109.31 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.431 ' HA ' ' HA ' ' A' ' 45' ' ' PRO . 1.9 t0 49.99 97.48 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.675 ' O ' ' HB3' ' A' ' 46' ' ' ALA . 18.3 Cg_endo -74.98 -3.97 19.97 Favored 'Cis proline' 0 C--N 1.361 1.197 0 C-N-CA 121.005 -2.498 . . . . 0.0 111.011 -0.003 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.893 ' HB1' ' HG ' ' A' ' 122' ' ' LEU . . . 82.7 122.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.586 ' CE1' ' OE1' ' A' ' 13' ' ' GLU . 4.5 m-85 -159.98 156.36 26.96 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.479 1.112 . . . . 0.0 110.969 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.729 HD12 ' O ' ' A' ' 40' ' ' VAL . 55.7 tp -124.65 113.7 18.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.147 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.579 ' CG ' HD21 ' A' ' 14' ' ' LEU . 35.1 m-70 -123.21 157.02 33.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.633 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.599 ' C ' ' CD1' ' A' ' 51' ' ' TYR . 13.7 p90 -133.08 176.57 8.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 110.978 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.885 ' HA ' HG23 ' A' ' 61' ' ' VAL . 26.8 m-85 -151.49 147.41 26.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 111.015 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -84.69 115.63 61.6 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -0.59 10.14 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.537 1.809 . . . . 0.0 110.971 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 7.1 t -93.99 -10.78 32.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.021 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.5 mmtt -133.71 -171.24 2.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.13 . . . . 0.0 109.284 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -121.39 -103.77 0.4 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.307 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 69.93 154.56 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.334 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 49.2 m-20 -100.93 63.69 1.03 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 168.13 161.34 0.15 Allowed Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.452 1.095 . . . . 0.0 110.347 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.597 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 18.4 Cg_endo -74.99 159.78 40.98 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.476 1.777 . . . . 0.0 111.012 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.885 HG23 ' HA ' ' A' ' 51' ' ' TYR . 3.5 t -68.25 -32.49 56.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -165.73 -134.48 1.68 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.502 1.126 . . . . 0.0 111.038 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 137.06 141.07 4.19 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.486 ' CD1' ' N ' ' A' ' 64' ' ' PHE . 2.9 p90 -133.33 155.76 48.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 0.753 . . . . 0.0 111.006 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 98.4 p -70.59 160.81 31.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.568 1.168 . . . . 0.0 110.029 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.858 HD13 HD23 ' A' ' 122' ' ' LEU . 69.7 mt -112.51 -37.16 5.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -37.37 -60.73 0.65 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 110.279 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -96.28 55.85 1.49 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.476 1.11 . . . . 0.0 110.991 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.0 m -143.12 -173.85 4.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 0.755 . . . . 0.0 110.026 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.681 ' O ' HG13 ' A' ' 94' ' ' VAL . 0.8 OUTLIER -152.48 168.46 25.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.267 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.486 ' CG1' ' HG2' ' A' ' 120' ' ' LYS . 10.2 p -152.98 145.03 15.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.2 m -157.78 165.84 34.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 110.06 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -89.44 161.83 16.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.561 HD21 ' HB3' ' A' ' 93' ' ' LYS . 6.5 mt -115.0 -164.32 0.93 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.333 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.449 ' CB ' ' O ' ' A' ' 74' ' ' LEU . 0.4 OUTLIER 82.33 61.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 0.0 110.297 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -88.14 79.35 7.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.325 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.402 ' O ' ' O ' ' A' ' 78' ' ' GLY . 2.7 m120 58.77 70.86 0.62 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 77' ' ' ASN . . . 59.73 122.55 0.01 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.458 1.099 . . . . 0.0 111.01 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.705 HG22 ' HB2' ' A' ' 86' ' ' ASN . 71.3 t 62.17 127.12 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.531 0.783 . . . . 0.0 109.321 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.524 ' HG2' HG21 ' A' ' 83' ' ' VAL . 18.1 Cg_endo -75.03 -163.92 0.21 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.501 1.79 . . . . 0.0 110.951 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 30.0 m -83.55 118.33 23.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.396 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 38.35 87.35 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.503 1.127 . . . . 0.0 111.014 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.524 HG21 ' HG2' ' A' ' 80' ' ' PRO . 3.8 t -142.45 134.77 26.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.554 0.796 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.78 143.08 5.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.301 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 54.9 -111.8 2.44 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.516 1.135 . . . . 0.0 111.011 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.705 ' HB2' HG22 ' A' ' 79' ' ' VAL . 17.2 p-10 -173.05 89.87 0.08 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 0.747 . . . . 0.0 109.266 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.789 HG13 HD13 ' A' ' 91' ' ' LEU . 1.1 p -79.67 151.54 4.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -153.75 164.42 38.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.26 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 108.73 -159.17 14.29 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.501 1.126 . . . . 0.0 111.053 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -79.86 84.12 5.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 0.741 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.789 HD13 HG13 ' A' ' 87' ' ' VAL . 1.5 mt -113.51 179.33 3.99 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.433 1.083 . . . . 0.0 109.262 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.455 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 20.6 p90 -172.98 156.24 3.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 110.983 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.627 ' NZ ' HD11 ' A' ' 95' ' ' ILE . 0.0 OUTLIER -120.94 162.22 20.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.681 HG13 ' O ' ' A' ' 70' ' ' LEU . 52.4 t -131.05 108.29 14.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.627 HD11 ' NZ ' ' A' ' 93' ' ' LYS . 14.0 mt -86.36 112.13 22.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 33.8 p -86.2 -179.56 6.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 110.427 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.1 -13.81 40.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -95.6 8.98 41.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 15.8 t70 62.29 21.57 12.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.311 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 87.3 m -84.47 123.17 29.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 110.438 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -93.53 108.51 20.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 109.585 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -94.54 102.43 14.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 110.984 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 54.7 m-85 -75.72 116.61 16.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 111.03 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.465 HG22 ' N ' ' A' ' 105' ' ' GLN . 64.7 mt -127.66 164.16 29.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.903 ' HB3' ' HB3' ' A' ' 25' ' ' ALA . 26.4 tt0 -121.5 144.73 48.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.272 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.406 ' HA ' HD22 ' A' ' 24' ' ' LEU . . . -99.99 154.87 18.04 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.444 1.09 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.3 t -58.93 -52.23 66.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.987 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.66 179.22 5.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 109.947 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? -61.45 -42.9 99.48 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -68.43 -51.6 42.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.452 ' HG3' ' CD1' ' A' ' 115' ' ' TRP . 1.0 OUTLIER -42.55 -38.38 1.95 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.296 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.407 ' HG2' ' CD1' ' A' ' 116' ' ' ILE . 35.2 ttp180 -62.69 -70.22 0.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.309 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -44.91 -37.07 3.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 109.29 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -69.04 -54.26 16.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.312 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' TRP . . . . . 0.694 ' O ' HD12 ' A' ' 119' ' ' ILE . 46.8 m95 -57.37 -27.43 62.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 107.993 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.417 ' O ' ' C ' ' A' ' 117' ' ' GLU . 83.1 mt -78.28 -76.35 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 109.263 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 116' ' ' ILE . 2.5 tt0 -36.38 -41.19 0.27 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.453 1.096 . . . . 0.0 110.267 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.453 ' HB1' HD13 ' A' ' 41' ' ' LEU . . . -57.13 -60.28 3.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.694 HD12 ' O ' ' A' ' 115' ' ' TRP . 17.7 mt -53.51 -45.25 58.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.486 ' HG2' ' CG1' ' A' ' 71' ' ' VAL . 29.4 mttt -46.28 -52.37 12.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 15.6 mttt -47.98 -60.23 2.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 109.276 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.893 ' HG ' ' HB1' ' A' ' 46' ' ' ALA . 0.1 OUTLIER -47.68 -56.22 7.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 109.289 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 123' ' ' THR . . . . . 0.591 HG23 ' O ' ' A' ' 119' ' ' ILE . 19.3 p -69.28 172.52 6.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 110.438 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -58.58 125.84 25.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.992 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 113.58 99.72 2.38 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.473 1.108 . . . . 0.0 111.057 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -53.22 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.448 1.762 . . . . 0.0 111.029 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 32.1 t 54.93 91.44 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.066 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 9.5 m -151.97 -59.96 0.16 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 110.018 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.488 1.117 . . . . 0.0 110.958 179.971 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.3 m -79.15 146.65 33.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 0.767 . . . . 0.0 109.979 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -159.96 -48.97 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.03 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -53.7 128.52 39.8 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.485 1.116 . . . . 0.0 110.994 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.97 -58.41 2.17 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.477 0.751 . . . . 0.0 109.977 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 66.38 134.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.02 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.01 131.71 2.37 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.478 1.111 . . . . 0.0 111.008 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -121.12 102.1 8.09 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 0.764 . . . . 0.0 109.999 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -167.93 116.16 0.75 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 90.0 p -45.11 157.55 0.08 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 110.018 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.473 HG22 ' N ' ' A' ' 12' ' ' VAL . 91.9 m -68.97 171.62 7.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 0.0 110.426 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.727 HG13 ' H ' ' A' ' 13' ' ' GLU . 0.7 OUTLIER -147.38 -79.79 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.727 ' H ' HG13 ' A' ' 12' ' ' VAL . 5.8 mt-10 -65.0 -37.26 87.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 110.288 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.771 HD11 ' CG ' ' A' ' 49' ' ' HIS . 2.5 mm? -82.59 4.82 23.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.4 t -96.85 59.45 1.71 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.972 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -132.35 153.9 20.8 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.482 1.114 . . . . 0.0 110.958 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.6 m -67.43 123.29 19.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 0.779 . . . . 0.0 110.39 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.484 HG13 ' HG3' ' A' ' 21' ' ' GLN . 2.1 t -63.17 123.78 16.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.415 HG13 ' HG2' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -112.9 -33.8 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.523 ' HG2' ' CD2' ' A' ' 115' ' ' TRP . 2.4 tptt -145.81 139.9 26.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.81 ' NE2' HG23 ' A' ' 40' ' ' VAL . 4.9 mt-30 -145.62 148.99 33.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 110.276 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 160.73 -175.15 37.45 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.533 1.146 . . . . 0.0 110.996 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.515 ' CE2' ' HB2' ' A' ' 38' ' ' ARG . 66.7 m-85 -109.69 127.57 54.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 0.755 . . . . 0.0 111.011 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.579 HD22 ' O ' ' A' ' 105' ' ' GLN . 20.2 mt -127.13 169.77 13.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.266 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.413 ' HB3' ' CB ' ' A' ' 105' ' ' GLN . . . -106.74 151.04 25.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.32 103.38 9.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.621 ' OE1' HG22 ' A' ' 83' ' ' VAL . 3.0 tt0 -64.76 120.5 12.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.297 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -163.04 -55.3 0.02 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.531 1.144 . . . . 0.0 110.979 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -47.74 164.55 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 0.777 . . . . 0.0 109.582 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -122.3 63.5 0.95 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.0 mtt85 178.63 117.74 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 110.258 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 52.95 -174.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.254 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -48.59 174.29 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.496 1.122 . . . . 0.0 109.327 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.603 ' N ' ' CD1' ' A' ' 34' ' ' TRP . 0.0 OUTLIER -90.39 -177.39 5.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 107.977 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.0 mttt -93.54 157.36 16.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.349 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.4 t -95.64 146.61 6.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 28.9 mmt85 -146.42 158.81 43.94 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.111 . . . . 0.0 110.29 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.515 ' HB2' ' CE2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -91.66 104.56 17.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.28 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.485 ' CD1' ' HB2' ' A' ' 24' ' ' LEU . 23.1 m-85 -97.21 132.51 42.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 111.003 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.879 HG12 ' O ' ' A' ' 49' ' ' HIS . 14.5 p -116.27 139.4 43.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.707 ' HG ' HD13 ' A' ' 48' ' ' LEU . 0.4 OUTLIER -113.45 124.57 52.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 109.305 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 31.9 mtt85 -124.72 157.27 36.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 110.31 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.437 ' CB ' HD11 ' A' ' 122' ' ' LEU . 0.6 OUTLIER -134.5 148.69 50.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.147 . . . . 0.0 109.316 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.469 ' HA ' ' HA ' ' A' ' 45' ' ' PRO . 0.5 OUTLIER 42.87 83.15 0.21 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.425 1.078 . . . . 0.0 109.281 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.469 ' HA ' ' HA ' ' A' ' 44' ' ' ASP . 18.3 Cg_endo -74.96 176.53 43.0 Favored 'Cis proline' 0 C--N 1.36 1.17 0 C-N-CA 121.004 -2.498 . . . . 0.0 110.987 -0.031 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.71 ' HB2' HD12 ' A' ' 122' ' ' LEU . . . -95.37 109.48 21.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.601 ' CE2' ' CD ' ' A' ' 13' ' ' GLU . 27.3 m-85 -160.2 148.49 16.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 110.987 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.865 HD12 ' O ' ' A' ' 40' ' ' VAL . 3.0 tp -129.74 113.49 14.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.879 ' O ' HG12 ' A' ' 40' ' ' VAL . 67.4 m80 -119.22 161.2 20.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.635 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.579 ' O ' HG23 ' A' ' 61' ' ' VAL . 6.5 p90 -145.06 151.73 38.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 111.023 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.599 ' HA ' HG23 ' A' ' 61' ' ' VAL . 15.8 m-85 -123.79 143.47 50.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 111.015 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -76.89 125.63 86.74 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 -12.13 21.67 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.516 1.798 . . . . 0.0 110.98 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 73.4 m -84.89 -30.49 24.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.029 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.412 ' HG3' ' N ' ' A' ' 56' ' ' GLU . 3.4 tptt -104.68 149.39 25.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.412 ' N ' ' HG3' ' A' ' 55' ' ' LYS . 2.0 tt0 -116.47 56.33 0.79 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 110.258 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -89.55 163.44 15.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.305 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.404 ' O ' ' CB ' ' A' ' 59' ' ' ARG . 5.8 m120 -95.19 64.82 2.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.404 ' CB ' ' O ' ' A' ' 58' ' ' ASN . 0.5 OUTLIER 165.31 166.46 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.577 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 18.3 Cg_endo -75.03 167.96 25.87 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.516 1.798 . . . . 0.0 111.033 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.599 HG23 ' HA ' ' A' ' 51' ' ' TYR . 2.6 t -69.89 -30.34 43.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 139.76 73.48 0.05 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.507 1.129 . . . . 0.0 111.015 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -64.03 -179.81 6.36 Favored Glycine 0 CA--C 1.531 1.069 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.701 ' CZ ' HD23 ' A' ' 48' ' ' LEU . 1.9 p90 -134.05 163.65 29.1 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.58 0.812 . . . . 0.0 110.999 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 30.4 p -72.76 158.46 35.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.032 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.406 ' O ' ' C ' ' A' ' 67' ' ' ARG . 94.1 mt -109.33 -42.5 4.35 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.115 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -38.01 -58.24 0.96 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.286 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -98.34 55.64 1.08 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.48 1.112 . . . . 0.0 111.014 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 25.0 m -145.61 177.41 8.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 0.762 . . . . 0.0 110.006 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.683 HD23 HD12 ' A' ' 95' ' ' ILE . 15.3 tp -154.48 155.17 34.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 109.286 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.703 HG13 ' HD2' ' A' ' 120' ' ' LYS . 7.1 p -132.6 149.84 32.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 13.2 m -161.7 160.62 28.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.978 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -97.76 159.42 14.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -96.87 163.98 12.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 109.349 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -166.04 132.02 2.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.273 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 174.48 -58.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 168.65 93.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 38.15 -109.14 0.09 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.466 1.104 . . . . 0.0 111.03 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.557 HG22 ' HA ' ' A' ' 86' ' ' ASN . 2.5 t -59.58 119.93 44.43 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.557 0.798 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.463 ' HG2' HG21 ' A' ' 83' ' ' VAL . 18.3 Cg_endo -74.99 -166.63 0.36 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.461 1.769 . . . . 0.0 111.005 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.42 ' O ' ' N ' ' A' ' 83' ' ' VAL . 20.5 m -66.54 -126.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.391 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.516 ' O ' HG23 ' A' ' 83' ' ' VAL . . . -55.71 87.92 0.01 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.485 1.116 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.621 HG22 ' OE1' ' A' ' 27' ' ' GLN . 3.5 t -154.39 102.22 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.541 0.789 . . . . 0.0 109.279 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 8.9 mmtp -53.94 152.49 5.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 55.54 166.03 0.04 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.512 1.132 . . . . 0.0 110.972 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.557 ' HA ' HG22 ' A' ' 79' ' ' VAL . 6.5 p-10 -93.26 137.61 32.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.532 0.783 . . . . 0.0 109.271 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.438 ' HB ' ' CD1' ' A' ' 91' ' ' LEU . 3.4 m -86.28 179.63 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 109.301 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.456 ' HB2' HD21 ' A' ' 91' ' ' LEU . 6.7 mm-40 -63.36 -51.26 66.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 110.274 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 136.1 -14.39 4.05 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.466 1.104 . . . . 0.0 111.009 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -140.37 54.87 1.62 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 0.757 . . . . 0.0 109.311 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.515 ' N ' HD23 ' A' ' 91' ' ' LEU . 3.5 mt -81.88 -160.23 0.35 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.267 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.574 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 24.8 p90 -167.81 179.0 4.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.54 1.15 . . . . 0.0 110.993 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.748 ' NZ ' HD11 ' A' ' 95' ' ' ILE . 0.0 OUTLIER -139.8 164.99 28.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.438 1.086 . . . . 0.0 109.292 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.491 HG13 ' O ' ' A' ' 70' ' ' LEU . 71.4 t -134.1 113.61 18.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.114 . . . . 0.0 109.339 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.748 HD11 ' NZ ' ' A' ' 93' ' ' LYS . 12.4 mt -87.82 114.98 27.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.431 1.082 . . . . 0.0 109.281 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 24.8 p -85.66 -177.94 6.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.403 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.23 -13.8 59.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.271 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -93.53 8.82 39.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 50.0 t0 62.76 21.54 12.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.346 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 59.0 m -88.43 120.12 29.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.117 . . . . 0.0 110.373 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -87.39 105.54 17.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.57 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -92.87 100.88 13.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 111.006 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.405 ' CD1' ' HB3' ' A' ' 93' ' ' LYS . 4.0 m-85 -74.84 122.73 23.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 110.971 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.574 ' HB ' ' CZ ' ' A' ' 92' ' ' PHE . 36.6 mt -119.49 164.04 16.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.579 ' O ' HD22 ' A' ' 24' ' ' LEU . 3.5 tt0 -113.63 139.05 49.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 110.315 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.478 ' CB ' ' HB2' ' A' ' 112' ' ' ARG . . . -106.21 145.8 31.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 109.329 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.4 t -55.88 -45.23 78.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.02 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -137.33 169.56 17.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.014 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -58.09 -24.59 59.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -85.4 -51.73 6.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.4 ' HB3' ' HB1' ' A' ' 106' ' ' ALA . 0.8 OUTLIER -39.44 -41.21 0.93 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.325 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.649 ' NE ' HD12 ' A' ' 116' ' ' ILE . 8.7 ttp180 -61.82 -66.8 0.48 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.453 1.095 . . . . 0.0 110.279 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -43.3 -34.25 1.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.289 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -72.41 -50.83 23.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 110.293 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' TRP . . . . . 0.71 ' O ' HD12 ' A' ' 119' ' ' ILE . 63.4 m95 -62.41 -25.05 67.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 108.051 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.649 HD12 ' NE ' ' A' ' 112' ' ' ARG . 43.7 mt -79.06 -76.96 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 116' ' ' ILE . 1.8 tt0 -36.11 -39.81 0.19 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 110.331 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.434 ' HB1' HD13 ' A' ' 41' ' ' LEU . . . -56.67 -69.71 0.14 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.71 HD12 ' O ' ' A' ' 115' ' ' TRP . 13.3 mt -40.49 -59.5 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.703 ' HD2' HG13 ' A' ' 71' ' ' VAL . 0.0 OUTLIER -38.71 -54.51 1.57 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 120' ' ' LYS . 14.5 mttt -38.92 -60.34 0.86 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.339 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.71 HD12 ' HB2' ' A' ' 46' ' ' ALA . 3.7 mm? -54.09 -55.25 29.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' THR . . . . . 0.519 HG23 ' O ' ' A' ' 119' ' ' ILE . 7.1 p -64.82 166.08 9.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.432 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 97.0 p -73.66 104.2 4.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.009 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -147.16 -158.68 7.95 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.49 1.119 . . . . 0.0 111.007 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 148.16 34.89 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.533 1.807 . . . . 0.0 110.984 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 2.1 m -142.62 136.5 29.21 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.533 1.146 . . . . 0.0 110.011 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 57.69 106.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.965 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.513 1.133 . . . . 0.0 110.988 179.996 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.95 91.32 3.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 0.776 . . . . 0.0 110.018 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -139.97 -59.55 0.55 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 110.023 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -99.89 -137.24 9.71 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.433 1.083 . . . . 0.0 111.03 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.8 m 59.84 168.01 0.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 0.747 . . . . 0.0 109.992 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.2 p 51.6 98.32 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.521 1.138 . . . . 0.0 109.976 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 105.66 78.52 1.2 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.547 1.155 . . . . 0.0 110.987 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -149.23 -47.35 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 0.777 . . . . 0.0 110.003 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.5 mp 61.85 106.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -167.01 173.04 9.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.009 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.671 HG21 HD12 ' A' ' 14' ' ' LEU . 50.2 m 60.67 164.27 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.385 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.517 HG13 ' N ' ' A' ' 13' ' ' GLU . 6.0 p -136.06 -52.25 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.517 ' N ' HG13 ' A' ' 12' ' ' VAL . 3.3 mp0 -59.46 -49.52 77.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.288 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.671 HD12 HG21 ' A' ' 11' ' ' THR . 0.3 OUTLIER -82.64 2.13 34.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.285 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -93.17 25.11 3.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.435 1.084 . . . . 0.0 109.999 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -98.97 159.42 20.14 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.513 1.133 . . . . 0.0 111.0 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.8 m -75.98 126.93 31.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 0.759 . . . . 0.0 110.424 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.2 t -62.58 122.74 14.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 0.0 109.309 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.719 HG13 ' HE2' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -111.82 -31.5 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.336 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.513 ' HG2' ' CE3' ' A' ' 115' ' ' TRP . 2.7 tptt -152.55 143.59 23.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.543 ' NE2' ' O ' ' A' ' 21' ' ' GLN . 0.0 OUTLIER -156.41 167.22 31.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 110.29 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 150.61 -153.61 25.12 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.541 1.151 . . . . 0.0 111.002 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -124.43 114.77 19.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 0.777 . . . . 0.0 111.026 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.725 HD21 ' NE1' ' A' ' 115' ' ' TRP . 47.6 mt -107.45 168.17 9.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.756 ' HB3' ' HB3' ' A' ' 105' ' ' GLN . . . -114.84 115.27 26.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 109.344 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.465 ' HD3' ' CG1' ' A' ' 104' ' ' ILE . 0.0 OUTLIER -85.97 153.17 22.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.327 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.449 ' HG3' ' CE2' ' A' ' 34' ' ' TRP . 0.0 OUTLIER -113.82 86.81 2.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.291 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 150.64 70.86 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.541 1.15 . . . . 0.0 110.967 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -178.18 130.36 0.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 0.755 . . . . 0.0 109.571 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.7 tttt 68.27 132.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.33 87.6 5.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 110.335 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 16.8 tptt -170.47 -76.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -156.34 -154.83 0.5 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.793 ' CZ2' HG13 ' A' ' 87' ' ' VAL . 13.4 m95 -66.44 170.33 6.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 108.01 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -138.74 124.57 19.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.268 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.6 t -74.35 117.29 18.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 109.277 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.5 ttp180 -122.86 157.54 32.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 110.313 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.2 ttp85 -91.69 113.11 25.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 110.267 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.452 ' CD1' ' HB2' ' A' ' 24' ' ' LEU . 24.9 m-85 -107.44 148.55 29.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 111.037 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.867 ' O ' HD12 ' A' ' 48' ' ' LEU . 9.5 p -132.59 136.18 56.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.331 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.649 ' HG ' HD13 ' A' ' 48' ' ' LEU . 0.4 OUTLIER -110.72 124.33 51.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.352 179.942 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.495 ' CD ' ' HA ' ' A' ' 14' ' ' LEU . 54.3 mtt-85 -117.3 163.11 16.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.273 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.719 ' HE2' HG13 ' A' ' 19' ' ' VAL . 1.1 pttt -140.98 140.24 34.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.479 ' N ' ' C ' ' A' ' 45' ' ' PRO . 10.5 t0 49.64 77.64 0.45 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.296 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.479 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.3 Cg_endo -75.04 171.39 68.35 Favored 'Cis proline' 0 C--N 1.361 1.192 0 C-N-CA 120.988 -2.505 . . . . 0.0 110.998 0.036 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.746 ' HB2' HD12 ' A' ' 122' ' ' LEU . . . -97.36 99.25 10.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -141.94 160.57 39.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 110.996 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.867 HD12 ' O ' ' A' ' 40' ' ' VAL . 21.1 tp -133.49 113.9 13.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.266 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.567 ' O ' HG12 ' A' ' 40' ' ' VAL . 40.3 m-70 -119.11 165.53 14.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.604 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.592 ' CE2' ' HB ' ' A' ' 61' ' ' VAL . 2.6 p90 -152.88 164.14 38.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 111.007 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.602 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 3.0 m-85 -139.56 139.11 36.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 110.976 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -74.65 125.34 89.72 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -39.7 1.12 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.521 1.8 . . . . 0.0 111.013 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 45.7 m -46.63 -45.13 18.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 110.016 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 26.5 mmtt -79.12 179.23 7.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.158 . . . . 0.0 109.271 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -130.22 75.08 1.63 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 110.285 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -138.07 172.62 12.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 110.283 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.52 ' O ' ' CE2' ' A' ' 51' ' ' TYR . 22.3 m-20 -103.4 -45.0 4.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 8.9 mtp180 -57.73 149.52 52.27 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.157 . . . . 0.0 110.278 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.602 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 18.4 Cg_endo -74.95 163.98 34.32 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.437 1.756 . . . . 0.0 111.044 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.592 ' HB ' ' CE2' ' A' ' 50' ' ' TYR . 2.4 t -69.28 -32.13 52.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.573 1.171 . . . . 0.0 109.293 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 147.65 74.44 0.02 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.513 1.133 . . . . 0.0 110.97 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.524 ' HA3' ' CG ' ' A' ' 49' ' ' HIS . . . -59.93 167.03 9.42 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.656 ' CE2' HD23 ' A' ' 48' ' ' LEU . 1.3 p90 -133.75 159.5 40.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 0.763 . . . . 0.0 110.962 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 77.0 p -70.81 159.56 34.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.987 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.615 HD21 ' HB3' ' A' ' 48' ' ' LEU . 49.7 mt -114.2 -34.66 5.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.44 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -35.68 -65.83 0.23 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 110.311 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -95.15 51.54 1.89 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.485 1.115 . . . . 0.0 111.0 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.412 ' HA ' ' HA ' ' A' ' 96' ' ' THR . 73.2 m -130.82 -179.99 5.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 0.748 . . . . 0.0 109.995 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 1.035 HD13 ' N ' ' A' ' 71' ' ' VAL . 3.1 tm? -155.97 154.13 30.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 1.035 ' N ' HD13 ' A' ' 70' ' ' LEU . 6.6 p -139.25 140.36 37.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.097 . . . . 0.0 109.344 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.415 ' O ' ' HB2' ' A' ' 92' ' ' PHE . 6.9 p -141.13 170.11 16.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.977 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -113.07 135.63 53.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.267 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.988 HD12 ' HB2' ' A' ' 91' ' ' LEU . 1.2 mt -78.92 103.61 8.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -122.48 108.11 12.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 110.297 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.436 ' O ' ' N ' ' A' ' 78' ' ' GLY . 0.1 OUTLIER -179.57 162.3 1.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.328 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.44 ' O ' ' N ' ' A' ' 79' ' ' VAL . 75.6 m-20 -48.7 94.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.338 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 76' ' ' ASP . . . 45.03 -94.15 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.523 1.139 . . . . 0.0 110.979 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.44 ' N ' ' O ' ' A' ' 77' ' ' ASN . 83.0 t -41.64 127.08 2.42 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.491 0.76 . . . . 0.0 109.267 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -77.65 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.476 1.777 . . . . 0.0 111.022 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.3 m -149.05 -72.43 0.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.431 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -122.66 69.62 0.44 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.486 1.116 . . . . 0.0 111.037 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.507 HG11 ' CG2' ' A' ' 87' ' ' VAL . 50.7 t -140.91 155.26 21.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.479 0.752 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.403 ' O ' ' O ' ' A' ' 83' ' ' VAL . 0.2 OUTLIER -43.72 -91.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -89.72 -132.19 4.66 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.494 1.121 . . . . 0.0 110.996 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -112.62 21.06 16.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 0.756 . . . . 0.0 109.304 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.793 HG13 ' CZ2' ' A' ' 34' ' ' TRP . 61.3 t 58.14 -104.83 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.344 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.652 ' H ' HD11 ' A' ' 91' ' ' LEU . 18.7 mm-40 -133.87 -110.43 0.22 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 110.288 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -137.69 134.15 6.8 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.521 1.138 . . . . 0.0 111.004 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 42.8 m-20 60.77 -87.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 0.776 . . . . 0.0 109.334 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.988 ' HB2' HD12 ' A' ' 74' ' ' LEU . 1.0 OUTLIER 65.35 -178.18 0.18 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.565 ' HB3' HD11 ' A' ' 116' ' ' ILE . 15.0 p90 -161.29 154.07 20.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 111.039 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.491 ' HE2' ' CG1' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -119.08 163.62 16.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 60.8 t -124.43 101.01 8.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.563 HG23 ' HA ' ' A' ' 99' ' ' ASP . 78.7 mt -85.85 99.93 8.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.412 ' HA ' ' HA ' ' A' ' 69' ' ' SER . 2.1 p -76.16 -175.87 3.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.397 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.41 -28.77 67.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 99' ' ' ASP . 1.1 m-20 -87.84 11.66 15.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.703 ' HB3' ' HE1' ' A' ' 101' ' ' HIS . 42.7 m-20 40.15 44.37 1.52 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.105 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 3.4 m -70.8 -46.06 63.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 110.413 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.703 ' HE1' ' HB3' ' A' ' 99' ' ' ASP . 0.6 OUTLIER 78.34 89.14 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.601 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -99.54 106.85 18.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 110.979 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -73.86 128.83 36.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.985 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.481 ' CG2' ' N ' ' A' ' 105' ' ' GLN . 24.4 mt -137.38 163.91 30.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.756 ' HB3' ' HB3' ' A' ' 25' ' ' ALA . 28.7 tt0 -121.75 148.46 44.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.14 . . . . 0.0 110.259 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.574 ' HB1' ' HB3' ' A' ' 111' ' ' GLU . . . -100.69 149.26 23.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.54 -48.3 74.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.989 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 109' ' ' LYS . 0.2 OUTLIER -135.98 155.3 50.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.012 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 108' ' ' SER . 22.8 mtmt -40.42 -42.02 1.51 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.8 -57.38 8.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.574 ' HB3' ' HB1' ' A' ' 106' ' ' ALA . 0.2 OUTLIER -39.13 -39.78 0.63 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.105 . . . . 0.0 110.288 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.56 ' HE ' HD12 ' A' ' 116' ' ' ILE . 8.1 ttp-105 -57.88 -70.52 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.273 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.465 ' O ' ' N ' ' A' ' 117' ' ' GLU . . . -41.6 -50.82 4.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.496 ' O ' ' CB ' ' A' ' 118' ' ' ALA . 37.3 mm-40 -56.81 -58.34 8.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.331 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' TRP . . . . . 0.725 ' NE1' HD21 ' A' ' 24' ' ' LEU . 33.3 m95 -51.89 -40.65 61.01 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.565 HD11 ' HB3' ' A' ' 92' ' ' PHE . 49.6 mt -68.76 -78.37 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.569 1.168 . . . . 0.0 109.335 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' A' ' 113' ' ' ALA . 2.2 tt0 -38.17 -43.14 0.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.313 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.496 ' CB ' ' O ' ' A' ' 114' ' ' GLU . . . -55.04 -69.96 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 95.9 mt -44.96 -48.78 2.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.294 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.5 ' HG2' HG13 ' A' ' 71' ' ' VAL . 33.9 mttt -46.77 -49.31 19.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 16.9 mttt -45.69 -60.38 2.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.746 HD12 ' HB2' ' A' ' 46' ' ' ALA . 1.7 mm? -51.07 -55.08 19.39 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.12 . . . . 0.0 109.331 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' THR . . . . . 0.474 HG22 ' O ' ' A' ' 66' ' ' LEU . 46.3 p -67.84 171.56 6.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.419 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.83 -66.59 0.54 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.489 1.118 . . . . 0.0 109.99 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 78.77 172.51 41.67 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.506 1.129 . . . . 0.0 110.999 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -43.61 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.481 1.78 . . . . 0.0 111.043 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 52.89 96.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.025 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 36.9 p -110.49 117.36 33.36 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.553 1.158 . . . . 0.0 109.996 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 O-C-N 124.455 1.097 . . . . 0.0 111.015 179.955 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.4 p -81.82 163.14 22.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 0.776 . . . . 0.0 109.991 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 68.58 136.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 110.002 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.69 142.54 13.39 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.489 1.118 . . . . 0.0 110.99 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -155.19 -64.59 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 0.779 . . . . 0.0 109.954 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 69.31 159.56 0.18 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.021 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.73 -137.59 5.51 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.488 1.118 . . . . 0.0 110.991 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 75.83 31.1 0.72 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 0.756 . . . . 0.0 110.029 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.8 mt -88.22 149.77 23.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.74 -45.77 67.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 110.013 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.0 m -146.64 161.23 40.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 110.379 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.648 HG13 ' H ' ' A' ' 13' ' ' GLU . 0.4 OUTLIER -147.24 -83.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.449 1.093 . . . . 0.0 109.353 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.648 ' H ' HG13 ' A' ' 12' ' ' VAL . 2.6 mt-10 -51.64 -41.18 61.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.3 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.447 HD21 ' CD2' ' A' ' 49' ' ' HIS . 0.8 OUTLIER -89.1 14.97 9.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.344 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.7 t -103.43 51.2 0.79 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.033 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -122.96 159.72 17.55 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.489 1.118 . . . . 0.0 111.068 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.1 m -75.06 117.1 16.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 0.762 . . . . 0.0 110.411 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.469 HG13 ' HG3' ' A' ' 21' ' ' GLN . 2.6 t -48.73 124.18 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.42 HG13 ' HE2' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -111.16 -28.38 2.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.525 ' HG2' ' CD2' ' A' ' 115' ' ' TRP . 3.3 tttt -159.69 141.01 12.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.883 ' NE2' HG23 ' A' ' 40' ' ' VAL . 8.0 mt-30 -145.35 149.59 35.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.339 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 160.63 -171.99 36.89 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.5 1.125 . . . . 0.0 110.983 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.537 ' CE2' ' HB2' ' A' ' 38' ' ' ARG . 54.1 m-85 -115.04 121.48 43.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 0.782 . . . . 0.0 111.017 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.543 HD21 ' CD1' ' A' ' 115' ' ' TRP . 14.6 mt -113.52 172.73 6.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.531 ' O ' ' CZ3' ' A' ' 34' ' ' TRP . . . -123.96 102.42 7.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -98.31 130.11 45.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.511 ' HB2' ' CE2' ' A' ' 34' ' ' TRP . 24.3 tt0 -84.56 123.15 29.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 110.304 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 172.94 -176.21 45.77 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.494 1.121 . . . . 0.0 111.024 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 60.21 -171.15 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 0.742 . . . . 0.0 109.561 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -106.45 174.02 6.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 21.8 mtt-85 61.06 126.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 110.322 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 15.0 mmtt 62.78 144.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.279 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 21.8 m-80 -72.23 -85.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.312 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.567 ' CZ2' HG21 ' A' ' 87' ' ' VAL . 14.0 m95 -94.44 133.87 37.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 108.017 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.05 137.26 54.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.4 t -79.62 136.68 23.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 21.9 mmt85 -140.86 156.36 46.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 110.292 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.537 ' HB2' ' CE2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -89.48 103.67 16.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.327 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.533 ' CD1' ' HB2' ' A' ' 24' ' ' LEU . 26.3 m-85 -97.33 131.6 43.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 111.029 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.955 ' O ' HD12 ' A' ' 48' ' ' LEU . 10.7 p -117.71 138.92 46.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.774 ' HG ' HD13 ' A' ' 48' ' ' LEU . 0.6 OUTLIER -117.36 134.02 55.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.403 ' C ' ' CG2' ' A' ' 19' ' ' VAL . 24.5 mtt85 -134.06 167.96 19.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.302 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 45' ' ' PRO . 0.8 OUTLIER -139.06 148.1 42.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 -179.939 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 45' ' ' PRO . 0.8 OUTLIER 41.53 82.48 0.22 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.445 ' O ' ' N ' ' A' ' 44' ' ' ASP . 18.3 Cg_endo -75.03 174.64 51.67 Favored 'Cis proline' 0 C--N 1.36 1.14 0 C-N-CA 121.015 -2.494 . . . . 0.0 111.003 0.025 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.962 ' HB1' ' HB3' ' A' ' 122' ' ' LEU . . . -99.72 103.53 15.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.328 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.53 ' CE2' ' CD ' ' A' ' 13' ' ' GLU . 7.9 m-85 -154.11 147.82 25.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 110.949 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.955 HD12 ' O ' ' A' ' 40' ' ' VAL . 8.2 tp -123.4 113.66 19.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.704 ' O ' HG12 ' A' ' 40' ' ' VAL . 69.4 m80 -114.5 163.9 14.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.608 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.568 ' CE2' ' HB ' ' A' ' 61' ' ' VAL . 8.1 p90 -148.36 152.39 36.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 111.007 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.67 ' HA ' HG23 ' A' ' 61' ' ' VAL . 9.6 m-85 -125.18 144.35 50.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 111.005 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -81.91 122.95 80.41 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -4.39 15.33 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.506 1.793 . . . . 0.0 110.983 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -88.53 -39.4 14.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.986 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.41 173.95 7.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -142.84 96.07 2.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.311 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -145.85 159.72 42.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 110.304 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 65.4 m-20 -87.17 55.95 3.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.431 1.082 . . . . 0.0 109.305 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -175.56 155.66 1.7 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 110.266 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.559 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 18.5 Cg_endo -74.95 171.49 18.21 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.464 1.77 . . . . 0.0 111.072 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.67 HG23 ' HA ' ' A' ' 51' ' ' TYR . 2.6 t -69.8 -29.24 40.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 130.93 75.47 0.13 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.488 1.118 . . . . 0.0 111.024 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -61.3 -175.98 1.81 Allowed Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -133.7 165.11 25.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 0.77 . . . . 0.0 110.979 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.4 p -71.87 145.76 48.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.987 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.546 HD21 ' HB3' ' A' ' 48' ' ' LEU . 90.7 mt -101.21 -40.18 7.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -34.68 -59.33 0.47 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.317 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -101.7 47.51 1.17 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.505 1.128 . . . . 0.0 111.039 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 36.9 p -118.68 -179.0 3.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 0.752 . . . . 0.0 109.98 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 95' ' ' ILE . 64.5 tp -156.43 146.99 21.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.679 HG13 ' HD2' ' A' ' 120' ' ' LYS . 2.5 p -137.39 145.58 29.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.3 m -157.63 162.51 38.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 109.998 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -99.96 148.64 24.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.273 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.892 HD12 ' HB2' ' A' ' 91' ' ' LEU . 1.9 mt -87.93 103.27 15.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -101.47 94.05 5.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 110.286 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.454 ' OD2' ' HA ' ' A' ' 80' ' ' PRO . 31.5 p-10 178.57 94.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -67.19 101.22 0.87 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 133.37 70.64 0.08 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.47 1.106 . . . . 0.0 110.988 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.652 HG22 ' HB2' ' A' ' 86' ' ' ASN . 63.6 t 62.08 121.82 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.497 0.763 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.698 ' HG2' HG21 ' A' ' 83' ' ' VAL . 18.2 Cg_endo -75.04 69.39 5.59 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.528 1.804 . . . . 0.0 110.991 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.419 ' O ' ' N ' ' A' ' 83' ' ' VAL . 15.5 m 63.3 94.53 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.424 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.456 ' O ' ' CG1' ' A' ' 79' ' ' VAL . . . 53.69 -89.96 0.01 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.506 1.129 . . . . 0.0 111.002 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.698 HG21 ' HG2' ' A' ' 80' ' ' PRO . 4.0 t 65.79 7.6 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.523 0.778 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.2 mmtm 48.69 68.61 0.67 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 135.04 -104.86 0.52 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.485 1.116 . . . . 0.0 111.007 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.652 ' HB2' HG22 ' A' ' 79' ' ' VAL . 8.4 t30 170.43 156.59 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 0.751 . . . . 0.0 109.274 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.582 HG23 HG11 ' A' ' 83' ' ' VAL . 31.8 t -132.45 171.16 18.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.564 1.165 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.55 ' N ' HG12 ' A' ' 87' ' ' VAL . 43.4 mm-40 -66.74 -149.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.283 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -121.99 159.19 16.63 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.484 1.115 . . . . 0.0 110.989 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 7.0 m120 65.31 61.88 0.71 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 0.774 . . . . 0.0 109.289 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.892 ' HB2' HD12 ' A' ' 74' ' ' LEU . 1.0 OUTLIER -116.49 -177.1 3.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.344 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.567 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 10.0 p90 -161.11 159.39 29.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 111.006 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.443 ' HE2' ' CG1' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -122.38 167.02 13.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 78.2 t -127.05 100.64 6.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.446 1.091 . . . . 0.0 109.31 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.674 HG23 ' ND1' ' A' ' 101' ' ' HIS . 52.3 mt -86.51 110.74 20.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 43.4 p -86.99 179.0 6.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 110.386 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 1.9 tttp -60.75 -19.99 60.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.333 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 99' ' ' ASP . 53.4 m-20 -89.3 12.9 14.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.253 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.404 ' O ' ' OD2' ' A' ' 99' ' ' ASP . 4.2 p-10 40.03 43.36 1.28 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.332 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.561 HG21 ' CE1' ' A' ' 102' ' ' TYR . 18.9 m -78.27 -51.49 10.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.378 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.674 ' ND1' HG23 ' A' ' 95' ' ' ILE . 0.4 OUTLIER 79.04 94.42 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 109.62 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.561 ' CE1' HG21 ' A' ' 100' ' ' THR . 44.7 m-85 -103.45 112.72 25.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 111.011 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 3.5 m-30 -76.31 125.17 28.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.421 1.075 . . . . 0.0 111.018 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.567 ' HB ' ' CZ ' ' A' ' 92' ' ' PHE . 9.2 mt -131.35 149.17 32.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.482 ' HB2' ' CD2' ' A' ' 91' ' ' LEU . 7.4 tt0 -113.36 141.87 46.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.278 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.536 ' HA ' HD22 ' A' ' 24' ' ' LEU . . . -91.84 163.32 14.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.243 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 6.4 t -82.0 -47.08 13.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 110.01 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -124.05 151.27 43.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.097 . . . . 0.0 109.99 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -41.21 -54.93 2.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -58.67 -50.33 74.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.345 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.574 ' HG3' ' CD1' ' A' ' 115' ' ' TRP . 0.6 OUTLIER -41.78 -40.61 2.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.289 179.942 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.497 ' HD2' ' CD1' ' A' ' 116' ' ' ILE . 6.1 tmm_? -61.73 -69.03 0.27 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.283 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -46.24 -46.25 17.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.33 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -61.53 -61.04 2.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 110.323 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' TRP . . . . . 0.574 ' CD1' ' HG3' ' A' ' 111' ' ' GLU . 34.2 m95 -45.63 -32.7 2.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 108.019 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.497 ' CD1' ' HD2' ' A' ' 112' ' ' ARG . 25.9 mt -73.01 -77.73 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 116' ' ' ILE . 0.3 OUTLIER -35.09 -48.79 0.44 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 110.245 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.702 ' HB1' HD13 ' A' ' 41' ' ' LEU . . . -47.83 -62.96 1.2 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.535 HD12 ' O ' ' A' ' 115' ' ' TRP . 20.3 mt -45.77 -54.66 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.679 ' HD2' HG13 ' A' ' 71' ' ' VAL . 0.0 OUTLIER -51.72 -53.32 40.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.14 . . . . 0.0 109.329 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.403 ' HG3' ' O ' ' A' ' 117' ' ' GLU . 19.8 mttt -39.97 -57.38 1.63 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.261 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.962 ' HB3' ' HB1' ' A' ' 46' ' ' ALA . 0.6 OUTLIER -52.5 -56.21 16.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.267 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 123' ' ' THR . . . . . 0.51 HG22 ' O ' ' A' ' 66' ' ' LEU . 50.6 p -63.37 84.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 110.389 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 123' ' ' THR . 0.4 OUTLIER -38.63 132.46 1.17 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.027 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -133.41 -78.96 0.13 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.494 1.122 . . . . 0.0 111.047 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -53.84 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.479 1.779 . . . . 0.0 110.944 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.3 -60.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.019 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -152.55 160.14 43.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 110.04 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.475 1.109 . . . . 0.0 111.038 179.997 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.7 m -140.48 -58.91 0.53 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 0.734 . . . . 0.0 109.979 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.2 m -92.78 106.94 18.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.967 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.36 120.6 2.65 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.531 1.144 . . . . 0.0 111.04 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.2 p -158.05 161.53 38.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 0.747 . . . . 0.0 109.969 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.8 m -154.42 161.01 41.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.098 . . . . 0.0 110.033 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.37 138.93 10.17 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.467 1.105 . . . . 0.0 111.004 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 39.2 t -119.03 -54.91 2.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 0.769 . . . . 0.0 110.006 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -173.79 82.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -167.44 119.1 0.89 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.102 . . . . 0.0 109.991 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 70.8 m -108.79 164.02 12.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.399 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.795 HG13 ' H ' ' A' ' 13' ' ' GLU . 1.5 p -146.65 -71.41 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 109.274 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.795 ' H ' HG13 ' A' ' 12' ' ' VAL . 39.3 mt-10 -62.28 -42.97 99.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.32 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.615 HD21 ' CG ' ' A' ' 49' ' ' HIS . 2.0 mt -87.19 11.4 14.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.348 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.22 60.05 0.62 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 0.0 109.958 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -138.93 172.55 23.07 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.484 1.115 . . . . 0.0 111.017 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.463 ' HB ' ' HD3' ' A' ' 43' ' ' LYS . 13.8 m -76.38 143.2 40.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 0.761 . . . . 0.0 110.4 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.502 HG21 ' OE1' ' A' ' 21' ' ' GLN . 2.1 t -76.37 128.41 37.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.725 HG13 ' HD2' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -111.57 -41.37 4.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.558 ' HG2' ' CD2' ' A' ' 115' ' ' TRP . 4.6 tptt -148.17 140.15 24.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.572 ' HG2' HG23 ' A' ' 40' ' ' VAL . 26.7 mt-30 -142.86 147.8 35.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.301 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 165.32 -169.77 39.97 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.546 1.153 . . . . 0.0 111.042 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.544 ' CE1' ' HB2' ' A' ' 38' ' ' ARG . 85.6 m-85 -115.25 125.91 53.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 0.786 . . . . 0.0 111.001 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.585 HD12 ' CG ' ' A' ' 39' ' ' PHE . 20.4 mt -121.03 169.73 10.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 109.281 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -116.7 124.96 50.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.332 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.6 mmmt -98.44 135.59 39.79 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.548 1.155 . . . . 0.0 109.28 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.659 ' OE1' HG22 ' A' ' 83' ' ' VAL . 0.9 OUTLIER -98.42 138.2 36.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.3 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -170.73 -162.34 22.9 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.487 1.117 . . . . 0.0 110.974 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -127.95 101.05 6.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 0.775 . . . . 0.0 109.645 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -168.09 -68.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.343 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -143.99 122.14 12.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.154 . . . . 0.0 110.275 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 67.29 151.22 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.335 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 72.3 m-80 -63.58 -62.35 1.72 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.771 ' CZ2' HG11 ' A' ' 87' ' ' VAL . 31.8 m95 -119.14 122.78 42.83 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.1 mtpm? -107.66 129.82 54.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.5 t -73.47 144.55 12.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.713 ' HD3' HG21 ' A' ' 61' ' ' VAL . 0.1 OUTLIER -151.06 164.88 35.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 110.272 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.544 ' HB2' ' CE1' ' A' ' 23' ' ' TYR . 1.4 ttp180 -98.72 105.15 17.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.103 . . . . 0.0 110.276 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.585 ' CG ' HD12 ' A' ' 24' ' ' LEU . 7.4 m-85 -96.64 136.26 37.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 110.993 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.906 ' O ' HD12 ' A' ' 48' ' ' LEU . 8.8 p -122.65 140.51 46.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.746 ' HG ' HD13 ' A' ' 48' ' ' LEU . 0.5 OUTLIER -116.9 118.32 32.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.431 1.082 . . . . 0.0 109.301 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.454 ' NH1' ' O ' ' A' ' 14' ' ' LEU . 1.7 mtp180 -122.15 148.76 44.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.346 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.725 ' HD2' HG13 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -122.89 154.58 38.12 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.467 ' N ' ' C ' ' A' ' 45' ' ' PRO . 1.8 t70 44.09 78.58 0.38 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.467 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.3 Cg_endo -75.0 169.75 73.72 Favored 'Cis proline' 0 C--N 1.36 1.161 0 C-N-CA 120.981 -2.508 . . . . 0.0 110.997 -0.014 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.707 ' CB ' HD12 ' A' ' 122' ' ' LEU . . . -92.77 102.74 15.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.44 1.087 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.427 ' CD1' ' HB2' ' A' ' 45' ' ' PRO . 42.4 m-85 -150.16 166.09 30.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 111.031 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.906 HD12 ' O ' ' A' ' 40' ' ' VAL . 5.3 tp -141.87 113.31 7.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.615 ' CG ' HD21 ' A' ' 14' ' ' LEU . 43.7 m-70 -117.47 166.76 11.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.603 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.544 ' CE1' ' N ' ' A' ' 63' ' ' GLY . 17.7 p90 -147.85 150.66 34.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 0.0 111.015 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.785 ' HA ' HG23 ' A' ' 61' ' ' VAL . 13.6 m-85 -127.48 153.61 46.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 111.033 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.523 ' N ' ' CG2' ' A' ' 61' ' ' VAL . 15.3 t0 -83.2 124.5 76.16 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.255 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -11.23 21.46 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.515 1.797 . . . . 0.0 111.017 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.2 m -86.28 -33.23 20.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.162 . . . . 0.0 110.011 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.455 ' CD ' ' OD2' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -88.26 173.66 8.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 179.95 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -147.28 84.91 1.58 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.324 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -153.99 150.48 28.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.324 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.6 m-20 -75.16 73.23 2.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.472 ' CD ' ' HD2' ' A' ' 60' ' ' PRO . 16.6 tpp180 -179.24 135.85 0.3 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.102 . . . . 0.0 110.332 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.588 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 18.3 Cg_endo -74.96 165.38 31.47 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.523 1.802 . . . . 0.0 110.952 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.785 HG23 ' HA ' ' A' ' 51' ' ' TYR . 1.6 t -77.33 -18.74 14.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.277 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 179.68 -128.91 1.28 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.493 1.121 . . . . 0.0 111.015 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.544 ' N ' ' CE1' ' A' ' 50' ' ' TYR . . . 122.67 130.05 3.63 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.801 ' CZ ' HD23 ' A' ' 48' ' ' LEU . 2.6 p90 -117.54 154.19 31.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 0.746 . . . . 0.0 111.01 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.0 t -77.86 135.21 37.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.98 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.46 ' O ' ' N ' ' A' ' 69' ' ' SER . 69.1 mt -80.63 -42.2 22.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 5.0 mmt180 -45.24 97.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.311 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 99.56 29.98 6.75 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.455 1.097 . . . . 0.0 111.012 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.46 ' N ' ' O ' ' A' ' 66' ' ' LEU . 36.9 m -117.3 -176.84 3.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 0.755 . . . . 0.0 110.04 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.843 ' O ' HG13 ' A' ' 94' ' ' VAL . 1.1 tm? -151.85 161.64 42.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.269 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.746 ' N ' HD13 ' A' ' 70' ' ' LEU . 7.7 p -149.88 144.44 17.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.7 m -160.2 161.14 33.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 109.956 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -94.23 142.92 26.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.675 HD12 ' HB2' ' A' ' 91' ' ' LEU . 1.0 OUTLIER -80.3 102.27 9.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -105.76 52.36 0.73 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.312 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.446 ' O ' ' N ' ' A' ' 78' ' ' GLY . 1.8 m-20 -126.59 101.89 6.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -59.29 85.93 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 76' ' ' ASP . . . 156.17 146.02 4.35 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.5 1.125 . . . . 0.0 110.989 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.671 HG11 ' HB3' ' A' ' 86' ' ' ASN . 33.2 m -60.61 144.18 89.43 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.564 0.802 . . . . 0.0 109.28 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.78 ' HG2' HG21 ' A' ' 83' ' ' VAL . 18.3 Cg_endo -75.02 175.25 11.49 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.499 1.789 . . . . 0.0 110.96 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.546 ' O ' HG23 ' A' ' 83' ' ' VAL . 4.3 m -45.67 130.85 9.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 110.408 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.422 ' O ' ' C ' ' A' ' 83' ' ' VAL . . . 49.05 -90.42 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.465 1.103 . . . . 0.0 111.014 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.78 HG21 ' HG2' ' A' ' 80' ' ' PRO . 41.1 t 38.2 85.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.517 0.775 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt -47.53 -48.48 27.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -53.3 -19.22 7.96 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.451 1.094 . . . . 0.0 110.999 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.671 ' HB3' HG11 ' A' ' 79' ' ' VAL . 36.2 m120 40.34 53.55 2.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 0.758 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.808 HG22 HD11 ' A' ' 91' ' ' LEU . 6.3 p -95.2 149.1 4.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.878 ' O ' HD12 ' A' ' 91' ' ' LEU . 0.0 OUTLIER -143.1 -72.79 0.29 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 110.34 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 37.57 -95.36 0.01 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.451 1.094 . . . . 0.0 110.986 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.511 ' O ' ' CD ' ' A' ' 112' ' ' ARG . 14.8 t30 -163.92 29.53 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 0.79 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.878 HD12 ' O ' ' A' ' 88' ' ' GLN . 0.7 OUTLIER -52.81 -174.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.439 ' HB3' HD11 ' A' ' 116' ' ' ILE . 33.6 p90 -142.12 164.48 30.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.977 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.06 167.59 18.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.843 HG13 ' O ' ' A' ' 70' ' ' LEU . 81.5 t -135.48 120.84 29.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.576 HG23 ' HD2' ' A' ' 101' ' ' HIS . 9.0 mt -99.98 119.56 48.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 38.1 p -77.08 -177.62 4.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.45 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.64 -42.68 99.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.345 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.676 ' O ' ' CB ' ' A' ' 99' ' ' ASP . 0.2 OUTLIER -58.51 -51.58 69.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 109.29 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.676 ' CB ' ' O ' ' A' ' 98' ' ' ASP . 0.5 OUTLIER 140.42 -15.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 179.961 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.496 ' O ' ' HA ' ' A' ' 95' ' ' ILE . 52.8 m -42.32 148.37 0.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 110.419 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.576 ' HD2' HG23 ' A' ' 95' ' ' ILE . 47.3 m170 -116.55 113.05 22.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.544 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -102.31 111.54 23.87 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.545 1.153 . . . . 0.0 111.007 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -89.86 123.52 33.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 111.003 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.48 HG22 ' N ' ' A' ' 105' ' ' GLN . 81.5 mt -129.9 165.18 30.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.48 ' N ' HG22 ' A' ' 104' ' ' ILE . 17.7 tt0 -127.66 135.89 50.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.267 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.719 ' HB1' ' HB3' ' A' ' 111' ' ' GLU . . . -93.03 -179.73 5.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 0.0 109.269 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 41.2 t -89.19 -30.13 18.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.965 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.6 m -152.61 158.6 42.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.979 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.03 -46.29 21.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.1 . . . . 0.0 109.29 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.89 -44.16 93.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.719 ' HB3' ' HB1' ' A' ' 106' ' ' ALA . 0.2 OUTLIER -47.38 -39.53 15.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.155 . . . . 0.0 110.335 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.511 ' CD ' ' O ' ' A' ' 90' ' ' ASN . 3.5 mtt-85 -57.67 -76.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.435 1.084 . . . . 0.0 110.26 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.466 ' C ' ' O ' ' A' ' 112' ' ' ARG . . . -35.36 -49.15 0.51 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.274 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.415 ' HB3' ' NZ ' ' A' ' 20' ' ' LYS . 1.3 mm-40 -55.91 -52.81 62.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 110.3 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' TRP . . . . . 0.558 ' CD2' ' HG2' ' A' ' 20' ' ' LYS . 60.1 m95 -65.87 -41.65 91.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 108.04 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.439 HD11 ' HB3' ' A' ' 92' ' ' PHE . 68.7 mt -61.14 -77.17 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.347 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 113' ' ' ALA . 2.7 tt0 -37.3 -51.68 1.07 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -47.68 -53.6 14.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.265 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 24.5 mt -55.62 -54.72 22.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.527 ' CG ' ' CG1' ' A' ' 71' ' ' VAL . 26.5 mttt -47.73 -51.45 22.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 18.8 mttt -43.03 -56.16 3.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 109.34 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.707 HD12 ' CB ' ' A' ' 46' ' ' ALA . 1.0 OUTLIER -54.37 -53.48 53.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 109.285 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 33.6 p -70.4 173.01 7.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.408 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 74.7 m -63.69 95.97 0.12 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.008 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -69.97 120.38 9.61 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.536 1.148 . . . . 0.0 110.995 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 76.71 3.32 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.451 1.764 . . . . 0.0 111.003 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 24.6 m 62.34 164.55 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 110.029 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 21.1 t -129.48 149.35 51.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.003 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.944 0 O-C-N 124.488 1.117 . . . . 0.0 111.011 179.97 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.6 p -159.76 134.24 7.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 0.758 . . . . 0.0 110.008 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.6 p -172.25 170.81 5.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 110.038 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.7 -177.43 51.12 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.513 1.133 . . . . 0.0 111.038 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -147.4 81.99 1.53 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 0.745 . . . . 0.0 109.988 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.72 141.99 49.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 109.992 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.9 -113.18 0.03 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.482 1.114 . . . . 0.0 111.025 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.1 p -159.39 88.42 0.87 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 0.769 . . . . 0.0 109.987 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -103.69 164.44 11.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -87.01 117.86 26.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.955 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.478 ' CG2' ' HB2' ' A' ' 14' ' ' LEU . 5.9 m -46.38 166.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.42 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.759 HG13 ' H ' ' A' ' 13' ' ' GLU . 1.6 p -149.55 -69.04 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.162 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.759 ' H ' HG13 ' A' ' 12' ' ' VAL . 46.2 mt-10 -58.63 -46.06 87.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.259 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.743 HD11 ' CG ' ' A' ' 49' ' ' HIS . 1.4 mm? -80.61 -0.39 37.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.316 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 24.5 t -93.2 55.88 2.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.963 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -135.75 162.61 24.96 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.46 1.1 . . . . 0.0 111.008 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.477 ' CB ' ' HD3' ' A' ' 43' ' ' LYS . 4.2 m -69.74 146.13 51.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 0.773 . . . . 0.0 110.387 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.435 HG13 ' HG3' ' A' ' 21' ' ' GLN . 2.3 t -82.57 126.62 40.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.148 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.727 HG13 ' HD2' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -109.67 -35.0 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.343 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.548 ' HG2' ' CD2' ' A' ' 115' ' ' TRP . 3.2 tptt -152.0 142.14 22.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.45 ' OE1' HG23 ' A' ' 40' ' ' VAL . 22.7 mt-30 -144.82 146.08 31.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 110.326 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 164.89 -164.37 36.97 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.5 1.125 . . . . 0.0 111.022 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.517 ' CZ ' ' HD3' ' A' ' 38' ' ' ARG . 57.4 m-85 -117.45 123.23 45.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 0.792 . . . . 0.0 110.984 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.676 HD22 ' O ' ' A' ' 105' ' ' GLN . 35.9 mt -116.16 166.4 12.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.268 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.783 ' HB3' ' HB3' ' A' ' 105' ' ' GLN . . . -116.56 124.1 49.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.47 145.46 27.43 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -96.29 77.36 3.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.321 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -103.35 -100.87 2.61 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.568 1.167 . . . . 0.0 111.016 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -74.56 167.8 21.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.551 0.795 . . . . 0.0 109.6 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -56.45 -80.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 109.273 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 33' ' ' ASN . 0.0 OUTLIER 40.33 78.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.244 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 67.55 -71.37 0.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.45 ' N ' ' O ' ' A' ' 31' ' ' ARG . 57.9 m-80 -156.29 -78.01 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.688 ' CH2' HD22 ' A' ' 91' ' ' LEU . 11.5 m95 -112.27 -176.66 2.97 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.405 ' O ' ' HA ' ' A' ' 25' ' ' ALA . 21.7 mtpt -137.79 117.31 12.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.284 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.4 t -72.49 139.56 19.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.314 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 4.0 mtt-85 -150.65 160.06 44.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.313 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.517 ' HD3' ' CZ ' ' A' ' 23' ' ' TYR . 0.9 OUTLIER -89.45 107.0 18.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.276 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.575 ' CD1' ' HB2' ' A' ' 24' ' ' LEU . 14.8 m-85 -101.24 134.58 44.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 110.981 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.885 ' O ' HD12 ' A' ' 48' ' ' LEU . 11.1 p -118.84 140.76 41.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.693 ' HG ' HD13 ' A' ' 48' ' ' LEU . 0.4 OUTLIER -112.38 113.64 25.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.27 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.444 ' HA ' ' O ' ' A' ' 17' ' ' THR . 0.0 OUTLIER -115.91 145.48 42.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 110.3 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.727 ' HD2' HG13 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -123.46 158.25 31.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 109.291 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.437 ' N ' ' C ' ' A' ' 45' ' ' PRO . 2.0 t0 38.68 79.91 0.3 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.437 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.3 Cg_endo -74.99 165.49 85.8 Favored 'Cis proline' 0 C--N 1.36 1.15 0 C-N-CA 121.019 -2.492 . . . . 0.0 111.021 -0.026 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.556 ' CB ' HD12 ' A' ' 122' ' ' LEU . . . -86.33 100.32 12.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.351 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -146.79 163.8 34.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 111.032 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.885 HD12 ' O ' ' A' ' 40' ' ' VAL . 4.8 tp -141.09 113.69 8.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.354 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.776 ' O ' HG12 ' A' ' 40' ' ' VAL . 70.5 m80 -119.85 161.61 20.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.574 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.575 ' CE2' ' HB ' ' A' ' 61' ' ' VAL . 12.1 p90 -146.62 150.07 34.76 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 111.018 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.686 ' HA ' HG23 ' A' ' 61' ' ' VAL . 11.2 m-85 -124.66 143.09 50.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.967 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -76.49 135.52 68.74 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -15.3 20.8 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.482 1.78 . . . . 0.0 111.02 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.7 t -89.33 -17.3 29.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.023 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.4 170.79 9.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.436 1.085 . . . . 0.0 109.296 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -141.48 81.32 1.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 110.259 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -154.25 150.46 28.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.282 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -74.44 -12.87 60.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.251 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 6.0 mtt-85 -90.03 146.03 34.25 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.312 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.609 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 18.3 Cg_endo -75.01 164.82 32.57 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.491 1.785 . . . . 0.0 111.022 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.686 HG23 ' HA ' ' A' ' 51' ' ' TYR . 2.8 t -64.02 -29.81 48.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 141.48 71.69 0.03 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.489 1.118 . . . . 0.0 110.951 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -64.33 179.03 7.63 Favored Glycine 0 CA--C 1.531 1.043 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.68 ' CE2' HD23 ' A' ' 48' ' ' LEU . 1.6 p90 -134.09 157.81 45.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 0.775 . . . . 0.0 111.041 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 12.6 p -75.58 141.9 42.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.0 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.487 HD21 ' HB3' ' A' ' 48' ' ' LEU . 42.5 mt -95.64 -33.93 12.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 23.7 mmt180 -48.32 99.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.284 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 94.86 26.98 11.72 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.439 1.087 . . . . 0.0 111.0 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 66' ' ' LEU . 52.2 m -111.62 -174.68 2.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 0.747 . . . . 0.0 109.981 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.903 HD13 ' N ' ' A' ' 71' ' ' VAL . 2.9 tm? -155.01 156.6 36.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.903 ' N ' HD13 ' A' ' 70' ' ' LEU . 8.6 p -140.85 145.98 24.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.332 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.3 p -155.52 168.32 27.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.024 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -97.92 168.5 10.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.736 HD21 ' HB3' ' A' ' 93' ' ' LYS . 2.6 mt -115.22 137.83 51.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.332 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 168.65 62.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.088 . . . . 0.0 110.321 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 77' ' ' ASN . 3.3 t70 -93.78 81.7 4.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.405 ' C ' ' O ' ' A' ' 76' ' ' ASP . 3.4 m-20 40.27 85.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.683 ' C ' HG13 ' A' ' 79' ' ' VAL . . . 58.21 108.51 0.01 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.51 1.131 . . . . 0.0 111.016 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.683 HG13 ' C ' ' A' ' 78' ' ' GLY . 1.5 m 60.43 144.73 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.524 0.779 . . . . 0.0 109.28 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -161.91 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.471 1.774 . . . . 0.0 110.993 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.2 m -64.14 -139.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 110.358 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -59.72 93.87 0.06 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.468 1.105 . . . . 0.0 111.004 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.713 ' O ' HG12 ' A' ' 83' ' ' VAL . 2.3 t -145.71 85.89 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.48 0.753 . . . . 0.0 109.327 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 83' ' ' VAL . 0.0 OUTLIER -37.36 150.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.09 . . . . 0.0 109.296 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 86' ' ' ASN . . . 37.58 44.76 1.32 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.471 1.107 . . . . 0.0 111.026 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.426 ' OD1' ' N ' ' A' ' 87' ' ' VAL . 10.1 p30 38.74 -156.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 0.782 . . . . 0.0 109.293 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.631 HG23 ' CZ2' ' A' ' 34' ' ' TRP . 9.6 p -133.43 163.79 36.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.455 ' O ' ' O ' ' A' ' 87' ' ' VAL . 13.4 mm100 -41.04 -96.39 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.093 . . . . 0.0 110.281 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -105.25 -109.56 3.42 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.521 1.138 . . . . 0.0 111.008 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -98.45 -48.73 4.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 0.76 . . . . 0.0 109.283 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.688 HD22 ' CH2' ' A' ' 34' ' ' TRP . 3.0 mp 55.27 -173.21 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.623 ' HB3' HD11 ' A' ' 116' ' ' ILE . 45.5 p90 -149.72 164.25 35.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 110.999 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.736 ' HB3' HD21 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -121.03 164.87 16.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.434 HG22 HG23 ' A' ' 71' ' ' VAL . 92.5 t -136.4 112.77 12.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.684 HD11 ' NZ ' ' A' ' 93' ' ' LYS . 21.4 mt -96.83 102.49 13.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 15.1 p -82.25 -178.69 7.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.374 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 2.2 ptmt -65.78 -11.58 47.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 109.261 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -91.89 17.37 9.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 109.327 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 47.43 35.28 3.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.259 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 98.4 m -105.0 123.4 47.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 110.45 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -92.61 101.93 14.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.638 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -93.19 103.62 15.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 111.016 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -76.46 108.61 9.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 111.009 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.563 ' HB ' ' CZ ' ' A' ' 92' ' ' PHE . 73.2 mt -114.59 158.31 14.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.783 ' HB3' ' HB3' ' A' ' 25' ' ' ALA . 52.4 tt0 -107.27 165.93 11.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.32 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.797 ' HB1' ' HB3' ' A' ' 111' ' ' GLU . . . -129.03 160.56 32.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.267 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.14 -34.29 74.77 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.48 1.113 . . . . 0.0 109.997 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.67 177.55 11.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.95 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 34.3 mttt -59.1 -35.25 73.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -72.59 -48.1 42.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.28 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.797 ' HB3' ' HB1' ' A' ' 106' ' ' ALA . 1.3 tp10 -45.53 -38.99 6.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 110.288 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.74 ' HG3' ' HB3' ' A' ' 106' ' ' ALA . 7.6 mtm-85 -56.73 -75.05 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.287 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.509 ' O ' ' N ' ' A' ' 117' ' ' GLU . . . -35.78 -54.97 0.73 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.236 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.451 ' O ' ' HB2' ' A' ' 118' ' ' ALA . 37.1 mm-40 -52.16 -55.04 23.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 110.281 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' TRP . . . . . 0.548 ' CD2' ' HG2' ' A' ' 20' ' ' LYS . 54.7 m95 -60.44 -47.12 87.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 108.038 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.623 HD11 ' HB3' ' A' ' 92' ' ' PHE . 5.5 mt -59.2 -76.76 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.509 ' N ' ' O ' ' A' ' 113' ' ' ALA . 2.8 tt0 -37.69 -47.88 1.01 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 110.28 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.48 ' HB1' HD13 ' A' ' 41' ' ' LEU . . . -49.32 -59.54 3.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 109.281 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 61.8 mt -54.18 -49.49 62.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 109.31 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.497 ' HG2' ' CG1' ' A' ' 71' ' ' VAL . 21.9 mttt -43.44 -52.3 6.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 14.5 mttt -46.84 -59.89 2.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.334 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.556 HD12 ' CB ' ' A' ' 46' ' ' ALA . 0.7 OUTLIER -45.1 -59.37 2.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.348 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 123' ' ' THR . . . . . 0.472 ' OG1' ' N ' ' A' ' 124' ' ' SER . 70.9 p -63.94 -81.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 110.374 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 124' ' ' SER . . . . . 0.472 ' N ' ' OG1' ' A' ' 123' ' ' THR . 2.8 m -89.31 143.21 27.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.134 . . . . 0.0 110.016 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -106.16 -101.44 2.72 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.503 1.127 . . . . 0.0 111.007 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 171.13 18.92 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.508 1.794 . . . . 0.0 110.996 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 45.76 93.51 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 110.0 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 41.3 t -144.65 -61.93 0.37 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.04 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.497 1.123 . . . . 0.0 110.97 179.952 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 m -170.94 156.82 5.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 0.752 . . . . 0.0 109.967 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -179.32 110.76 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.988 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.6 72.29 0.08 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.514 1.134 . . . . 0.0 111.009 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.4 p -152.61 79.25 1.22 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 0.769 . . . . 0.0 110.005 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.3 t -172.65 124.25 0.46 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 109.976 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.73 116.37 0.7 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.464 1.102 . . . . 0.0 111.002 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 29.1 t -169.33 -56.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 0.757 . . . . 0.0 109.998 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -159.18 95.47 1.26 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -151.3 64.67 0.89 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.0 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.492 ' OG1' ' N ' ' A' ' 12' ' ' VAL . 0.2 OUTLIER -133.72 -176.27 4.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.426 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.492 ' N ' ' OG1' ' A' ' 11' ' ' THR . 11.5 p -157.49 -48.91 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.485 ' HG3' HG13 ' A' ' 12' ' ' VAL . 1.5 mp0 -63.74 -39.22 93.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 110.301 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -85.39 7.05 23.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.6 p -98.66 44.81 1.02 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 109.986 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -117.63 156.7 15.5 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.527 1.142 . . . . 0.0 111.03 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.6 m -70.03 121.05 16.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.449 0.735 . . . . 0.0 110.426 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.473 HG13 ' HG3' ' A' ' 21' ' ' GLN . 2.3 t -57.59 122.16 6.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.648 HG13 ' HE2' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -110.23 -27.15 2.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.529 1.143 . . . . 0.0 109.258 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.528 ' HG2' ' CD2' ' A' ' 115' ' ' TRP . 2.9 tptt -157.23 141.5 16.38 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.551 1.157 . . . . 0.0 109.361 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.875 ' NE2' HG23 ' A' ' 40' ' ' VAL . 6.7 mt-30 -144.93 148.15 33.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.288 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 163.12 -165.01 36.32 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.532 1.145 . . . . 0.0 111.017 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.565 ' CE2' ' HB2' ' A' ' 38' ' ' ARG . 68.8 m-85 -118.28 121.19 39.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 0.785 . . . . 0.0 110.989 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.561 ' HB2' ' CD1' ' A' ' 39' ' ' PHE . 51.2 mt -115.41 167.77 10.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.249 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.916 ' HB3' ' HB3' ' A' ' 105' ' ' GLN . . . -111.39 112.63 24.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.329 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.6 tttt -100.61 100.36 11.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.336 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.52 ' HB2' ' CE3' ' A' ' 34' ' ' TRP . 0.0 OUTLIER -64.77 153.52 39.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.351 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 79.27 103.26 0.23 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.497 1.123 . . . . 0.0 111.01 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -170.56 -68.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.445 0.732 . . . . 0.0 109.581 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -160.11 -50.32 0.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.266 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.66 165.19 0.9 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 110.272 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.9 ttpt -70.56 -70.1 0.32 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -77.31 -157.85 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.304 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.797 ' CZ2' HG21 ' A' ' 87' ' ' VAL . 10.1 m95 -77.1 156.71 31.49 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.0 107.99 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.92 126.09 47.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.4 t -74.09 138.49 21.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.401 ' HD3' HG21 ' A' ' 61' ' ' VAL . 13.5 mtt-85 -146.83 153.47 40.2 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.446 1.091 . . . . 0.0 110.305 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.565 ' HB2' ' CE2' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -81.71 102.53 10.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.309 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.561 ' CD1' ' HB2' ' A' ' 24' ' ' LEU . 12.3 m-85 -96.72 134.42 40.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 110.981 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.962 ' O ' HD12 ' A' ' 48' ' ' LEU . 9.4 p -116.67 141.57 34.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.678 ' HG ' HD13 ' A' ' 48' ' ' LEU . 0.4 OUTLIER -116.01 120.28 38.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 37.0 mtt-85 -125.24 149.25 48.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.286 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.648 ' HE2' HG13 ' A' ' 19' ' ' VAL . 1.4 pttt -126.23 148.22 49.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.481 ' N ' ' C ' ' A' ' 45' ' ' PRO . 44.3 t0 47.84 77.73 0.44 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.138 . . . . 0.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.481 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.4 Cg_endo -74.97 169.62 74.05 Favored 'Cis proline' 0 C--N 1.36 1.176 0 C-N-CA 121.033 -2.486 . . . . 0.0 111.0 -0.044 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.587 ' CB ' HD12 ' A' ' 122' ' ' LEU . . . -95.07 92.84 7.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.415 ' CD2' ' HB3' ' A' ' 13' ' ' GLU . 17.3 m-85 -139.38 155.59 47.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.471 1.107 . . . . 0.0 110.99 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.962 HD12 ' O ' ' A' ' 40' ' ' VAL . 5.1 tp -132.75 113.72 13.29 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.698 ' O ' HG12 ' A' ' 40' ' ' VAL . 67.4 m80 -116.35 158.18 23.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.408 1.068 . . . . 0.0 109.611 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.412 ' HA ' ' O ' ' A' ' 38' ' ' ARG . 39.4 p90 -143.1 142.44 31.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 111.0 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.767 ' HA ' HG23 ' A' ' 61' ' ' VAL . 31.0 m-85 -116.39 163.68 15.68 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.535 1.147 . . . . 0.0 111.013 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.572 ' N ' ' CG2' ' A' ' 61' ' ' VAL . 0.0 OUTLIER -91.36 126.87 53.13 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.575 1.172 . . . . 0.0 109.33 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 -43.59 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.464 1.77 . . . . 0.0 111.026 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.86 -29.12 69.34 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 110.019 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.402 ' HB2' ' CG ' ' A' ' 52' ' ' ASP . 29.8 mmtt -95.63 176.06 6.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -151.9 100.53 2.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.312 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -159.33 144.49 15.75 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.102 . . . . 0.0 110.295 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 37.9 m-20 -71.55 60.19 0.33 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.463 ' CD ' ' HD2' ' A' ' 60' ' ' PRO . 0.0 OUTLIER -170.3 140.5 1.57 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 110.3 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.494 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 18.3 Cg_endo -74.95 161.34 39.06 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.488 1.783 . . . . 0.0 110.999 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.767 HG23 ' HA ' ' A' ' 51' ' ' TYR . 1.1 t -79.05 -12.37 13.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 175.36 -140.54 5.28 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.512 1.132 . . . . 0.0 111.011 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 134.51 125.39 2.55 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.663 ' CZ ' HD23 ' A' ' 48' ' ' LEU . 2.5 p90 -115.85 160.33 20.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 0.752 . . . . 0.0 111.005 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.8 p -75.49 156.83 34.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 109.969 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' A' ' 69' ' ' SER . 84.7 mt -114.57 -42.43 3.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.5 105.75 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 110.285 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 89.97 31.21 11.27 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.485 1.115 . . . . 0.0 111.029 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.414 ' N ' ' O ' ' A' ' 66' ' ' LEU . 58.7 m -116.26 -178.86 3.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 0.77 . . . . 0.0 110.016 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 95' ' ' ILE . 12.2 tp -147.34 157.02 43.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.683 HG13 ' HD2' ' A' ' 120' ' ' LYS . 2.4 p -138.0 145.21 29.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 23.7 m -148.34 163.51 36.86 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.492 1.12 . . . . 0.0 110.042 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -97.29 161.9 13.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.689 HD12 ' CB ' ' A' ' 91' ' ' LEU . 9.4 mt -104.16 133.75 48.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -50.68 166.53 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.315 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -106.29 151.21 25.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.28 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 66.5 t30 65.84 95.9 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 133.49 171.3 12.62 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.508 1.13 . . . . 0.0 111.041 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.545 HG23 ' HD2' ' A' ' 80' ' ' PRO . 4.8 p -121.95 140.26 31.8 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.501 0.765 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.545 ' HD2' HG23 ' A' ' 79' ' ' VAL . 18.4 Cg_endo -74.98 177.32 8.74 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.539 1.81 . . . . 0.0 111.005 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.402 ' C ' ' O ' ' A' ' 80' ' ' PRO . 43.2 m -38.65 109.05 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 110.391 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 83' ' ' VAL . . . 56.43 -89.6 0.01 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.486 1.117 . . . . 0.0 110.978 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.469 ' O ' HG12 ' A' ' 83' ' ' VAL . 24.4 t 37.63 87.22 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.511 0.771 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 83' ' ' VAL . 4.1 mmtt -39.66 132.21 1.67 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 98.72 -139.01 14.21 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.46 1.1 . . . . 0.0 111.033 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 10.6 p30 -179.25 70.52 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 0.76 . . . . 0.0 109.271 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.797 HG21 ' CZ2' ' A' ' 34' ' ' TRP . 14.9 m -74.58 163.09 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.43 ' N ' HD11 ' A' ' 91' ' ' LEU . 4.7 pt20 -175.7 36.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 110.296 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 90' ' ' ASN . . . -106.64 83.14 0.34 Allowed Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.528 1.143 . . . . 0.0 111.04 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.409 ' C ' ' O ' ' A' ' 89' ' ' GLY . 1.8 p30 39.55 65.8 0.65 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.432 0.725 . . . . 0.0 109.233 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.689 ' CB ' HD12 ' A' ' 74' ' ' LEU . 1.3 mt -96.24 -179.73 4.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.479 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 15.2 p90 -170.76 158.83 6.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 0.0 110.986 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.03 165.22 16.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 78.9 t -129.54 105.36 12.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.578 HG12 ' CD2' ' A' ' 101' ' ' HIS . 80.1 mt -90.39 104.19 15.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 30.3 p -78.71 -174.72 4.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 110.407 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 1.5 ptmt -68.29 -8.76 42.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.342 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -100.29 5.17 44.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.493 ' HA ' HG23 ' A' ' 95' ' ' ILE . 0.6 OUTLIER 47.15 40.74 10.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.328 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 2.7 m -75.31 -47.76 26.31 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.467 1.104 . . . . 0.0 110.389 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.578 ' CD2' HG12 ' A' ' 95' ' ' ILE . 4.3 m170 78.16 92.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.601 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 51.3 m-85 -99.8 117.52 34.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 110.991 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -80.77 131.29 35.41 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 0.0 111.022 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.479 ' HB ' ' CZ ' ' A' ' 92' ' ' PHE . 63.2 mt -141.14 161.51 22.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.916 ' HB3' ' HB3' ' A' ' 25' ' ' ALA . 23.8 tt0 -125.18 151.88 45.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.31 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.458 ' HA ' ' CD2' ' A' ' 24' ' ' LEU . . . -105.98 150.92 25.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.53 -51.24 63.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 110.038 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -125.57 159.29 32.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.979 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 33.6 tttt -45.04 -56.27 4.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.095 . . . . 0.0 109.268 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 111' ' ' GLU . . . -56.46 -52.76 63.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.409 ' HG3' ' CD1' ' A' ' 115' ' ' TRP . 0.2 OUTLIER -38.18 -42.22 0.66 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 0.0 110.347 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.411 ' HA ' ' HB2' ' A' ' 106' ' ' ALA . 17.4 ttp180 -53.96 -70.85 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.312 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.431 ' O ' ' N ' ' A' ' 117' ' ' GLU . . . -46.81 -42.78 17.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 109.339 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.446 ' O ' ' HB2' ' A' ' 118' ' ' ALA . 2.8 mt-10 -55.63 -53.7 53.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 110.288 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' TRP . . . . . 0.528 ' CD2' ' HG2' ' A' ' 20' ' ' LYS . 81.4 m95 -63.77 -43.03 97.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 107.999 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.408 HG22 ' CE ' ' A' ' 120' ' ' LYS . 48.7 mt -60.28 -77.14 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.316 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 113' ' ' ALA . 2.1 tt0 -38.37 -38.45 0.37 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 0.0 110.298 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.446 ' HB2' ' O ' ' A' ' 114' ' ' GLU . . . -57.87 -67.89 0.3 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.43 ' O ' ' C ' ' A' ' 120' ' ' LYS . 8.0 mt -40.37 -60.32 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.683 ' HD2' HG13 ' A' ' 71' ' ' VAL . 0.2 OUTLIER -38.67 -41.25 0.68 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 109.252 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 118' ' ' ALA . 12.1 mttt -59.37 -59.18 5.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.117 . . . . 0.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.587 HD12 ' CB ' ' A' ' 46' ' ' ALA . 0.5 OUTLIER -46.92 -59.08 3.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 71.8 p -52.55 -52.64 53.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 110.416 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 176.66 -66.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.994 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 70.38 109.65 0.04 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.487 1.117 . . . . 0.0 111.045 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 63.53 6.02 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.47 1.774 . . . . 0.0 110.964 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 6.5 t 176.26 144.37 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.976 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 34.9 t 50.95 91.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 110.024 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.474 1.109 . . . . 0.0 111.013 179.988 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.666 HG22 ' N ' ' A' ' 13' ' ' GLU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.666 ' N ' HG22 ' A' ' 12' ' ' VAL . 2.2 mm-40 -53.16 -40.59 64.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.329 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.732 HD11 ' CG ' ' A' ' 49' ' ' HIS . 1.0 OUTLIER -87.0 10.66 15.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.0 t -100.37 49.3 0.91 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 110.001 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -123.18 158.2 17.77 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.518 1.136 . . . . 0.0 110.985 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.4 m -68.66 119.07 12.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 0.756 . . . . 0.0 110.419 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.484 HG13 ' HG3' ' A' ' 21' ' ' GLN . 2.4 t -54.5 123.02 4.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.67 HG13 ' HE2' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -110.71 -26.57 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 109.311 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.534 ' HG2' ' CD2' ' A' ' 115' ' ' TRP . 2.3 tptt -159.84 142.08 13.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.744 ' NE2' HG23 ' A' ' 40' ' ' VAL . 9.9 mt-30 -146.7 149.76 34.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.327 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 160.42 -163.77 34.14 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.532 1.145 . . . . 0.0 110.996 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.444 ' CZ ' ' HD2' ' A' ' 38' ' ' ARG . 76.6 m-85 -118.75 130.09 55.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 0.779 . . . . 0.0 110.996 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.67 HD12 ' CG ' ' A' ' 39' ' ' PHE . 21.0 mt -123.08 170.54 10.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.365 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -120.89 107.34 12.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.563 1.164 . . . . 0.0 109.28 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 59.0 tttt -89.13 141.69 28.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.465 ' HB2' ' CE2' ' A' ' 34' ' ' TRP . 2.3 tt0 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.305 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.465 ' CE2' ' HB2' ' A' ' 27' ' ' GLN . 11.6 m0 . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.93 136.17 52.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.268 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.5 t -79.83 130.37 36.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.347 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.409 ' CD ' HG21 ' A' ' 61' ' ' VAL . 0.4 OUTLIER -136.58 144.91 44.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.298 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.444 ' HD2' ' CZ ' ' A' ' 23' ' ' TYR . 5.1 ttt180 -79.34 108.33 12.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.309 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.67 ' CG ' HD12 ' A' ' 24' ' ' LEU . 12.5 m-85 -97.69 142.11 29.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.85 ' O ' HD12 ' A' ' 48' ' ' LEU . 7.6 p -126.13 138.14 55.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.87 ' HG ' HD13 ' A' ' 48' ' ' LEU . 0.4 OUTLIER -114.74 132.6 56.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.324 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 49.5 mtt-85 -130.69 167.86 18.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 110.306 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.67 ' HE2' HG13 ' A' ' 19' ' ' VAL . 4.3 pttt -145.09 140.33 27.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.51 ' N ' ' C ' ' A' ' 45' ' ' PRO . 25.7 t70 49.2 76.59 0.53 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.51 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.3 Cg_endo -74.99 166.41 83.34 Favored 'Cis proline' 0 C--N 1.36 1.17 0 C-N-CA 121.008 -2.497 . . . . 0.0 110.978 0.011 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.856 ' HB1' ' HB3' ' A' ' 122' ' ' LEU . . . -97.85 103.74 15.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.596 ' CZ ' ' OE2' ' A' ' 13' ' ' GLU . 9.8 m-85 -148.05 160.68 42.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.094 . . . . 0.0 111.053 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.87 HD13 ' HG ' ' A' ' 41' ' ' LEU . 10.9 tp -135.7 114.08 11.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.732 ' CG ' HD11 ' A' ' 14' ' ' LEU . 54.9 m80 -118.2 161.7 19.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 0.0 109.614 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.418 ' HA ' ' O ' ' A' ' 38' ' ' ARG . 32.8 p90 -143.68 141.09 30.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 111.031 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.694 ' HA ' HG23 ' A' ' 61' ' ' VAL . 7.2 m-85 -117.4 147.14 42.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.962 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.446 ' N ' ' CG2' ' A' ' 61' ' ' VAL . 4.5 t0 -82.36 123.88 78.65 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.147 . . . . 0.0 109.3 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.221 0 O-C-N 124.451 1.764 . . . . 0.0 110.952 -179.986 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.8 mtt85 . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.589 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 18.2 Cg_endo -75.0 162.58 36.89 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.517 1.799 . . . . 0.0 111.003 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.694 HG23 ' HA ' ' A' ' 51' ' ' TYR . 1.8 t -76.86 -29.86 17.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -158.18 -136.59 2.1 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.528 1.142 . . . . 0.0 111.001 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.449 ' HA3' ' CD2' ' A' ' 49' ' ' HIS . . . 131.45 123.55 2.49 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.019 -0.833 . . . . 0.0 111.019 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.537 ' CZ ' HD23 ' A' ' 48' ' ' LEU . 15.0 p90 -120.14 153.22 36.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 0.769 . . . . 0.0 111.002 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.5 m -60.35 148.67 36.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.023 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.655 ' O ' HG22 ' A' ' 123' ' ' THR . 93.6 mt -104.64 -44.88 4.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.2 OUTLIER -37.69 -64.75 0.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 110.316 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -91.58 54.59 3.08 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.443 1.089 . . . . 0.0 110.973 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.407 ' OG ' HG22 ' A' ' 96' ' ' THR . 10.5 m -140.67 -178.0 5.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 0.767 . . . . 0.0 109.984 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.845 HD13 ' N ' ' A' ' 71' ' ' VAL . 1.4 tm? -149.85 165.14 33.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.16 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.845 ' N ' HD13 ' A' ' 70' ' ' LEU . 7.3 p -149.47 142.55 17.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.6 m -155.01 166.79 32.49 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.511 1.132 . . . . 0.0 110.007 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -99.15 160.72 14.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.305 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.938 HD12 ' HB2' ' A' ' 91' ' ' LEU . 3.8 mt . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.33 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.938 ' HB2' HD12 ' A' ' 74' ' ' LEU . 1.2 mp . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.583 ' HB3' HD11 ' A' ' 116' ' ' ILE . 8.8 p90 -157.22 149.97 23.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 110.974 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.02 162.5 17.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.725 HG13 ' O ' ' A' ' 70' ' ' LEU . 67.1 t -128.26 108.36 17.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.952 HG23 ' CD2' ' A' ' 101' ' ' HIS . 40.5 mt -88.13 108.16 18.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.407 HG22 ' OG ' ' A' ' 69' ' ' SER . 2.0 p -82.58 -176.27 6.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 110.404 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.85 -21.07 66.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -93.46 17.17 11.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.442 1.089 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 40.66 44.3 1.79 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 8.5 m -77.51 -51.32 10.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.383 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.952 ' CD2' HG23 ' A' ' 95' ' ' ILE . 5.9 m170 76.62 91.06 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.607 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 46.7 m-85 -95.07 117.68 30.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 111.004 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -86.53 126.33 34.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.998 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.57 ' HB ' ' CZ ' ' A' ' 92' ' ' PHE . 22.8 mt -134.88 166.56 28.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.153 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.63 ' HB2' HD23 ' A' ' 91' ' ' LEU . 4.6 tp60 -127.7 151.87 48.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.274 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.668 ' HB1' ' HB3' ' A' ' 111' ' ' GLU . . . -107.53 153.99 22.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.87 -46.04 74.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.967 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.92 162.88 29.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.005 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 4.3 tttt -50.84 -41.41 57.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.271 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -69.48 -52.47 26.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.356 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.668 ' HB3' ' HB1' ' A' ' 106' ' ' ALA . 0.2 OUTLIER -39.62 -39.72 0.78 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.274 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.45 ' HA ' ' HB2' ' A' ' 106' ' ' ALA . 2.7 ttt-85 -60.04 -72.08 0.12 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.504 1.127 . . . . 0.0 110.288 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.421 ' N ' ' HG2' ' A' ' 112' ' ' ARG . . . -39.78 -38.02 0.61 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -68.18 -53.47 24.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.312 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' TRP . . . . . 0.534 ' CD2' ' HG2' ' A' ' 20' ' ' LYS . 55.0 m95 -59.26 -29.81 67.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 108.009 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.583 HD11 ' HB3' ' A' ' 92' ' ' PHE . 53.8 mt -71.95 -77.12 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.332 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 116' ' ' ILE . 2.5 tt0 -37.34 -40.77 0.37 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.089 . . . . 0.0 110.297 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -55.56 -65.32 0.61 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.511 HG23 HD22 ' A' ' 66' ' ' LEU . 81.7 mt -44.95 -56.56 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.512 ' CG ' ' CG1' ' A' ' 71' ' ' VAL . 19.2 mttt -41.51 -52.8 3.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 11.9 mttt -41.09 -60.2 1.28 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.856 ' HB3' ' HB1' ' A' ' 46' ' ' ALA . 0.3 OUTLIER -52.66 -52.07 57.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . 0.655 HG22 ' O ' ' A' ' 66' ' ' LEU . 15.7 p . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 110.354 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.779 HG13 ' H ' ' A' ' 13' ' ' GLU . 1.9 p . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.779 ' H ' HG13 ' A' ' 12' ' ' VAL . 70.7 mt-10 -59.05 -45.28 91.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.339 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.56 HD21 ' CD2' ' A' ' 49' ' ' HIS . 1.1 mt -84.95 1.03 49.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.416 ' HB2' ' CA ' ' A' ' 12' ' ' VAL . 0.5 OUTLIER -93.13 52.61 1.82 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.029 179.945 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.428 ' O ' ' NH1' ' A' ' 42' ' ' ARG . . . -127.01 159.36 21.17 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.524 1.14 . . . . 0.0 111.029 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.3 m -72.86 123.25 23.02 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.458 0.74 . . . . 0.0 110.366 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.434 HG13 ' HG3' ' A' ' 21' ' ' GLN . 2.2 t -56.48 124.54 10.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -111.72 -29.7 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.54 ' HG2' ' CD2' ' A' ' 115' ' ' TRP . 3.2 tttt -154.47 143.22 20.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.849 ' NE2' HG23 ' A' ' 40' ' ' VAL . 12.1 mt-30 -146.85 147.92 31.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.29 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 163.04 -173.95 39.3 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.479 1.112 . . . . 0.0 111.031 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.56 ' CE1' ' HB2' ' A' ' 38' ' ' ARG . 83.4 m-85 -112.44 121.84 45.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 0.768 . . . . 0.0 110.979 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.567 ' HB2' ' CD1' ' A' ' 39' ' ' PHE . 17.5 mt -114.88 172.04 7.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.611 ' HB3' ' HB3' ' A' ' 105' ' ' GLN . . . -120.39 112.26 18.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.1 tttt -81.02 142.92 32.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.52 ' HA ' ' CE2' ' A' ' 34' ' ' TRP . 6.8 tt0 . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.557 1.161 . . . . 0.0 110.317 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.52 ' CE2' ' HA ' ' A' ' 27' ' ' GLN . 15.9 m95 . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 10.4 tppt? -98.89 148.57 23.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.2 t -88.57 135.13 26.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -138.43 144.71 40.27 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.135 . . . . 0.0 110.289 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.56 ' HB2' ' CE1' ' A' ' 23' ' ' TYR . 0.9 OUTLIER -78.71 105.08 9.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.312 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.567 ' CD1' ' HB2' ' A' ' 24' ' ' LEU . 16.4 m-85 -96.94 136.45 37.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 110.982 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.907 ' O ' HD12 ' A' ' 48' ' ' LEU . 11.2 p -120.17 141.95 38.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.826 ' HG ' HD13 ' A' ' 48' ' ' LEU . 0.6 OUTLIER -117.09 128.2 54.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.253 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.451 ' NH1' ' O ' ' A' ' 14' ' ' LEU . 41.5 mtt-85 -128.34 168.09 16.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 110.333 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 45' ' ' PRO . 0.5 OUTLIER -142.97 147.73 35.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 109.327 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.478 ' N ' ' C ' ' A' ' 45' ' ' PRO . 13.8 t0 48.02 78.31 0.41 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.481 ' CG ' ' O ' ' A' ' 12' ' ' VAL . 18.2 Cg_endo -75.0 172.04 65.04 Favored 'Cis proline' 0 C--N 1.36 1.158 0 C-N-CA 121.014 -2.494 . . . . 0.0 111.011 -0.012 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.814 ' HB1' ' HB3' ' A' ' 122' ' ' LEU . . . -95.31 100.79 12.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.553 ' CE2' ' HB3' ' A' ' 65' ' ' SER . 24.6 m-85 -145.6 166.01 27.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.947 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.931 HD23 ' CZ ' ' A' ' 64' ' ' PHE . 5.0 tp -142.94 113.71 7.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.354 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.56 ' CD2' HD21 ' A' ' 14' ' ' LEU . 63.0 m80 -116.41 165.79 12.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.613 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.484 ' CE1' ' HB ' ' A' ' 61' ' ' VAL . 49.1 p90 -151.36 143.37 23.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.939 ' HA ' HG23 ' A' ' 61' ' ' VAL . 16.6 m-85 -119.3 157.66 27.65 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.478 1.111 . . . . 0.0 111.031 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -88.61 123.48 67.88 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.14 0 O-C-N 124.511 1.795 . . . . 0.0 111.016 179.969 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.6 ttp180 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.609 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 18.2 Cg_endo -75.03 160.99 39.41 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.45 1.763 . . . . 0.0 111.002 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.939 HG23 ' HA ' ' A' ' 51' ' ' TYR . 3.8 t -77.28 -30.39 17.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.424 ' HA3' ' CZ ' ' A' ' 50' ' ' TYR . . . -158.66 -129.24 1.06 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.475 1.11 . . . . 0.0 111.031 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.464 ' HA3' ' CD2' ' A' ' 49' ' ' HIS . . . 114.2 125.42 4.15 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.931 ' CZ ' HD23 ' A' ' 48' ' ' LEU . 13.1 p90 -119.39 153.48 35.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.453 0.737 . . . . 0.0 110.991 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.553 ' HB3' ' CE2' ' A' ' 47' ' ' PHE . 7.0 p -74.37 117.27 15.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.012 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.506 HD13 HD23 ' A' ' 122' ' ' LEU . 87.7 mt -66.09 -44.48 84.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 66' ' ' LEU . 14.1 mmt-85 -37.55 110.88 0.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.307 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 78.38 49.54 6.7 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.504 1.128 . . . . 0.0 110.995 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 47.2 m -132.63 -174.68 3.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.566 0.803 . . . . 0.0 109.995 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.466 ' N ' ' O ' ' A' ' 95' ' ' ILE . 17.3 tp -154.88 156.1 35.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.499 HG12 ' HG2' ' A' ' 120' ' ' LYS . 4.4 p -141.11 153.1 20.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.2 m -160.63 161.86 32.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.1 . . . . 0.0 109.99 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -105.54 146.81 29.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.304 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.577 HD12 ' HB2' ' A' ' 91' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.093 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.731 HD23 ' HB2' ' A' ' 105' ' ' GLN . 2.1 mp . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.589 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 4.3 p90 -164.38 152.27 12.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.993 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.49 ' HE2' HD11 ' A' ' 95' ' ' ILE . 1.2 ptmt -119.17 168.15 11.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.272 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.58 HG11 ' CE2' ' A' ' 64' ' ' PHE . 56.1 t -132.99 100.56 3.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.598 HG23 ' CD2' ' A' ' 101' ' ' HIS . 60.4 mt -84.85 105.43 13.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 73.4 p -82.24 -170.06 2.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.123 . . . . 0.0 110.39 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.16 -14.68 62.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 109.351 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -100.13 12.54 36.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.267 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.577 ' C ' ' CD2' ' A' ' 101' ' ' HIS . 0.5 OUTLIER 46.93 35.69 3.47 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.415 ' O ' ' CB ' ' A' ' 101' ' ' HIS . 55.1 m -65.85 -60.56 2.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 110.428 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.598 ' CD2' HG23 ' A' ' 95' ' ' ILE . 2.7 m170 81.61 93.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.59 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -99.14 101.59 12.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 111.021 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -74.28 126.86 31.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.575 1.172 . . . . 0.0 110.995 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.589 ' HB ' ' CZ ' ' A' ' 92' ' ' PHE . 37.0 mt -136.79 168.3 22.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.316 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.731 ' HB2' HD23 ' A' ' 91' ' ' LEU . 6.2 tp60 -121.73 149.42 43.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 110.283 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.721 ' HB1' ' HB3' ' A' ' 111' ' ' GLU . . . -106.96 169.02 8.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.352 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.87 -33.58 34.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 110.041 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.425 ' O ' ' N ' ' A' ' 111' ' ' GLU . 0.1 OUTLIER -148.21 149.74 32.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.999 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 108' ' ' SER . 0.0 OUTLIER -40.03 -44.31 1.72 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.68 -48.86 73.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.264 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.721 ' HB3' ' HB1' ' A' ' 106' ' ' ALA . 1.0 OUTLIER -42.33 -41.17 2.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.15 . . . . 0.0 110.276 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.629 ' NE ' ' HB3' ' A' ' 106' ' ' ALA . 0.7 OUTLIER -56.83 -74.27 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.095 . . . . 0.0 110.264 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.529 ' O ' ' N ' ' A' ' 117' ' ' GLU . . . -34.23 -53.63 0.49 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.582 ' O ' ' HB2' ' A' ' 118' ' ' ALA . 46.6 mm-40 -53.29 -52.15 60.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.299 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' TRP . . . . . 0.54 ' CD2' ' HG2' ' A' ' 20' ' ' LYS . 63.4 m95 -65.19 -44.69 87.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 108.034 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.402 ' O ' ' C ' ' A' ' 117' ' ' GLU . 62.1 mt -61.86 -77.84 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.335 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.529 ' N ' ' O ' ' A' ' 113' ' ' ALA . 2.7 tt0 -37.19 -46.57 0.72 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 0.0 110.293 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.582 ' HB2' ' O ' ' A' ' 114' ' ' GLU . . . -48.73 -58.29 5.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.472 ' HB ' HG11 ' A' ' 71' ' ' VAL . 24.0 mt -53.74 -54.06 22.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.499 ' HG2' HG12 ' A' ' 71' ' ' VAL . 19.2 mttt -44.82 -41.77 7.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 16.3 mttt -55.86 -61.74 2.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 109.288 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.814 ' HB3' ' HB1' ' A' ' 46' ' ' ALA . 0.3 OUTLIER -45.92 -52.95 10.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.276 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 67.1 p . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 110.387 -179.994 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.734 HG13 ' H ' ' A' ' 13' ' ' GLU . 2.4 p . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.734 ' H ' HG13 ' A' ' 12' ' ' VAL . 47.6 mt-10 -58.0 -47.63 82.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 110.244 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.492 HD21 ' CD2' ' A' ' 49' ' ' HIS . 0.5 OUTLIER -85.81 9.28 17.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.27 -179.934 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.82 56.81 0.82 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.971 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -129.28 155.97 21.04 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.517 1.136 . . . . 0.0 110.953 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.0 m -67.56 113.74 5.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 0.777 . . . . 0.0 110.402 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.534 HG13 ' HG3' ' A' ' 21' ' ' GLN . 2.3 t -50.66 119.69 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.466 ' CG1' ' HE2' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -109.65 -27.6 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.113 . . . . 0.0 109.321 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.524 ' HG2' ' CD2' ' A' ' 115' ' ' TRP . 11.3 tptt -153.6 145.85 23.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.534 ' HG3' HG13 ' A' ' 18' ' ' VAL . 28.3 mt-30 -152.92 158.84 42.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.281 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 148.39 -163.54 28.97 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.515 1.135 . . . . 0.0 110.996 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.509 ' CZ ' ' HD3' ' A' ' 38' ' ' ARG . 86.9 m-85 -116.38 134.3 55.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 0.76 . . . . 0.0 110.967 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.591 HD21 ' NE1' ' A' ' 115' ' ' TRP . 23.2 mt -128.09 167.94 16.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.311 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.483 ' HB3' ' HB3' ' A' ' 105' ' ' GLN . . . -118.87 99.57 6.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 20.7 tttt -89.07 140.73 29.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 109.293 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.447 ' HB2' ' CE2' ' A' ' 34' ' ' TRP . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.309 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.447 ' CE2' ' HB2' ' A' ' 27' ' ' GLN . 19.2 m95 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -130.13 131.26 45.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.9 t -68.25 138.09 23.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.6 mtm-85 -148.32 140.59 24.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 110.315 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.509 ' HD3' ' CZ ' ' A' ' 23' ' ' TYR . 2.4 ttp85 -77.25 106.61 9.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 0.0 110.286 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.568 ' CD2' ' HB3' ' A' ' 50' ' ' TYR . 13.5 m-85 -96.99 149.53 21.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 110.987 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.768 ' O ' HD12 ' A' ' 48' ' ' LEU . 14.6 p -133.79 137.16 53.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.265 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.833 ' HG ' HD13 ' A' ' 48' ' ' LEU . 0.5 OUTLIER -113.41 138.2 50.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.451 ' NH1' ' CG2' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -141.76 155.6 45.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 110.343 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.466 ' HE2' ' CG1' ' A' ' 19' ' ' VAL . 0.5 OUTLIER -129.68 144.66 51.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.282 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.512 ' N ' ' C ' ' A' ' 45' ' ' PRO . 7.7 t70 53.8 76.41 0.53 Allowed Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.498 1.124 . . . . 0.0 109.334 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.512 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.3 Cg_endo -74.98 171.9 65.73 Favored 'Cis proline' 0 C--N 1.359 1.128 0 C-N-CA 120.987 -2.505 . . . . 0.0 111.024 -0.033 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.466 ' CB ' HD12 ' A' ' 122' ' ' LEU . . . -97.6 92.67 6.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.252 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.419 ' CE2' ' HB3' ' A' ' 65' ' ' SER . 10.5 m-85 -133.5 177.99 7.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.133 . . . . 0.0 110.976 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.833 HD13 ' HG ' ' A' ' 41' ' ' LEU . 12.6 tp -153.71 113.96 3.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.258 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.492 ' CD2' HD21 ' A' ' 14' ' ' LEU . 65.3 m80 -117.62 167.55 11.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.606 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.568 ' HB3' ' CD2' ' A' ' 39' ' ' PHE . 41.6 p90 -156.28 144.01 19.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.989 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.923 ' HA ' HG23 ' A' ' 61' ' ' VAL . 5.6 m-85 -121.93 154.85 36.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.975 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.421 ' HB2' HG21 ' A' ' 61' ' ' VAL . 6.5 t70 -89.89 127.19 54.88 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.418 1.074 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.171 0 O-C-N 124.491 1.785 . . . . 0.0 111.048 179.975 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.325 -0.25 . . . . 0.0 110.325 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.572 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 18.2 Cg_endo -75.05 160.6 39.8 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.49 1.784 . . . . 0.0 111.001 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.923 HG23 ' HA ' ' A' ' 51' ' ' TYR . 4.4 t -77.55 -31.37 17.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.406 ' HA3' ' CZ ' ' A' ' 50' ' ' TYR . . . -157.8 -126.94 0.92 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.512 1.132 . . . . 0.0 110.979 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.414 ' HA3' ' CD2' ' A' ' 49' ' ' HIS . . . 111.93 121.71 4.04 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.014 -0.835 . . . . 0.0 111.014 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.8 ' CZ ' HD23 ' A' ' 48' ' ' LEU . 8.2 p90 -118.82 150.65 39.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 0.771 . . . . 0.0 111.001 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.419 ' HB3' ' CE2' ' A' ' 47' ' ' PHE . 11.4 p -74.56 126.91 31.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.105 . . . . 0.0 109.982 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.465 HD12 ' HG ' ' A' ' 122' ' ' LEU . 21.7 mt -73.73 -32.54 63.92 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.145 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 53.9 mmt-85 -46.45 96.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 110.283 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 66' ' ' LEU . . . 96.04 32.31 6.85 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.433 1.083 . . . . 0.0 110.991 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 66' ' ' LEU . 97.7 p -114.45 -176.23 2.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 0.74 . . . . 0.0 110.018 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.933 HD13 ' N ' ' A' ' 71' ' ' VAL . 3.4 tm? -153.48 153.4 32.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.933 ' N ' HD13 ' A' ' 70' ' ' LEU . 5.9 p -136.4 139.81 44.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.243 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 33.8 m -153.47 155.12 35.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 109.964 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -93.44 152.03 19.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.708 HD12 ' HB2' ' A' ' 91' ' ' LEU . 1.5 mt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.344 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.8 HD23 ' HB2' ' A' ' 105' ' ' GLN . 1.3 mp . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.554 ' CD1' ' HD3' ' A' ' 112' ' ' ARG . 13.1 p90 -161.72 171.55 17.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.985 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.489 ' NZ ' HD11 ' A' ' 95' ' ' ILE . 0.0 OUTLIER -137.31 164.01 29.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.407 ' HA ' ' O ' ' A' ' 70' ' ' LEU . 72.6 t -122.86 111.93 31.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.606 HG23 ' CD2' ' A' ' 101' ' ' HIS . 77.5 mt -90.82 106.64 17.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 47.3 p -80.96 -179.06 7.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.434 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.08 -12.27 48.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -100.97 13.61 34.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.437 ' C ' ' CD2' ' A' ' 101' ' ' HIS . 1.7 m-20 43.87 42.33 4.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 15.9 m -73.62 -51.09 17.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.427 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.606 ' CD2' HG23 ' A' ' 95' ' ' ILE . 4.9 m170 77.44 84.79 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.61 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -91.8 108.46 19.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.949 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -75.35 131.34 40.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 111.026 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.489 ' HB ' ' CZ ' ' A' ' 92' ' ' PHE . 60.7 mt -135.47 164.46 32.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.8 ' HB2' HD23 ' A' ' 91' ' ' LEU . 38.9 tt0 -134.61 146.37 49.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.315 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.608 ' HB2' ' HA ' ' A' ' 112' ' ' ARG . . . -103.21 170.23 8.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.253 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -85.21 -45.69 11.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 110.028 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.7 m -121.35 147.98 44.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 109.962 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.65 -53.87 2.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.256 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -60.23 -49.74 76.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.547 ' HB3' ' HB1' ' A' ' 106' ' ' ALA . 0.5 OUTLIER -43.49 -39.73 3.5 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.451 1.094 . . . . 0.0 110.318 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.64 HH11 ' N ' ' A' ' 113' ' ' ALA . 0.0 OUTLIER -62.52 -70.22 0.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 110.282 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.64 ' N ' HH11 ' A' ' 112' ' ' ARG . . . -44.7 -38.6 4.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -54.32 -68.29 0.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 110.325 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' TRP . . . . . 0.591 ' NE1' HD21 ' A' ' 24' ' ' LEU . 79.2 m95 -46.23 -45.05 16.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 108.029 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.462 HD11 ' CD ' ' A' ' 112' ' ' ARG . 37.2 mt -52.56 -76.63 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.344 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -42.01 -41.93 2.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.308 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.407 ' HB3' ' O ' ' A' ' 115' ' ' TRP . . . -54.98 -65.18 0.63 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.425 HG23 HD22 ' A' ' 66' ' ' LEU . 87.6 mt -44.61 -56.07 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.479 ' HG2' ' CG1' ' A' ' 71' ' ' VAL . 21.6 mttt -40.93 -54.77 2.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 17.6 mttt -41.07 -60.01 1.33 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.466 HD12 ' CB ' ' A' ' 46' ' ' ALA . 0.8 OUTLIER -49.39 -55.52 12.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.265 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . 0.459 HG22 ' HG ' ' A' ' 69' ' ' SER . 69.0 p . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.429 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.775 HG13 ' H ' ' A' ' 13' ' ' GLU . 1.7 p . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.775 ' H ' HG13 ' A' ' 12' ' ' VAL . 72.4 mt-10 -64.7 -34.71 78.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.285 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.608 HD12 ' N ' ' A' ' 14' ' ' LEU . 2.4 mp -81.63 -9.73 59.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 109.313 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.36 61.84 5.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.148 . . . . 0.0 110.002 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -132.98 157.54 22.69 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.525 1.141 . . . . 0.0 111.037 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.4 m -67.72 119.49 12.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 0.771 . . . . 0.0 110.403 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.459 HG13 ' HG3' ' A' ' 21' ' ' GLN . 2.2 t -59.38 124.28 13.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 0.0 109.335 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.507 HG13 ' HG2' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -112.41 -32.01 2.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 0.0 109.297 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.517 ' HG2' ' CD2' ' A' ' 115' ' ' TRP . 5.0 tptt -151.09 141.19 22.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.331 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.682 ' NE2' HG23 ' A' ' 40' ' ' VAL . 7.1 mt-30 -145.58 153.72 41.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.117 . . . . 0.0 110.278 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 156.43 -163.93 32.27 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.541 1.151 . . . . 0.0 111.025 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.449 ' CE1' ' HB2' ' A' ' 38' ' ' ARG . 82.2 m-85 -118.76 126.15 51.21 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.548 0.793 . . . . 0.0 111.01 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.613 HD12 ' CG ' ' A' ' 39' ' ' PHE . 25.1 mt -117.64 169.24 9.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.763 ' HB3' ' HB3' ' A' ' 105' ' ' GLN . . . -117.22 106.51 13.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 25.8 tttm -87.9 108.78 19.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.142 . . . . 0.0 109.302 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.48 ' HG3' ' CE2' ' A' ' 34' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.436 1.085 . . . . 0.0 110.3 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.48 ' CE2' ' HG3' ' A' ' 27' ' ' GLN . 82.1 m95 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.13 122.45 42.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.152 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.6 t -73.18 142.57 14.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.447 ' HD2' HG21 ' A' ' 61' ' ' VAL . 1.5 tpp180 -152.05 152.29 32.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.58 1.175 . . . . 0.0 110.315 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.47 ' O ' ' HA ' ' A' ' 50' ' ' TYR . 0.5 OUTLIER -83.18 103.3 12.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 110.285 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.613 ' CG ' HD12 ' A' ' 24' ' ' LEU . 11.2 m-85 -96.46 138.06 34.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.449 1.093 . . . . 0.0 111.005 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.917 HG12 ' O ' ' A' ' 49' ' ' HIS . 14.6 p -122.64 136.45 59.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.66 ' HG ' HD13 ' A' ' 48' ' ' LEU . 0.5 OUTLIER -109.58 119.32 39.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 109.326 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.417 ' NH1' ' HB3' ' A' ' 14' ' ' LEU . 46.5 mtt180 -119.95 155.57 32.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.117 . . . . 0.0 110.294 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.523 ' CB ' HD11 ' A' ' 122' ' ' LEU . 0.4 OUTLIER -136.29 144.71 44.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.483 ' N ' ' C ' ' A' ' 45' ' ' PRO . 0.2 OUTLIER 47.92 78.05 0.42 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.262 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.483 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.3 Cg_endo -75.01 171.84 66.06 Favored 'Cis proline' 0 C--N 1.36 1.146 0 C-N-CA 120.997 -2.501 . . . . 0.0 111.012 0.001 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.63 ' HB2' HD12 ' A' ' 122' ' ' LEU . . . -98.15 105.48 17.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 109.258 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.518 ' CG ' ' HB3' ' A' ' 13' ' ' GLU . 21.0 m-85 -153.29 148.59 26.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 110.974 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.77 HD12 ' O ' ' A' ' 40' ' ' VAL . 9.4 tp -123.61 113.82 19.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 109.337 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.917 ' O ' HG12 ' A' ' 40' ' ' VAL . 75.5 m80 -121.99 153.23 38.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 109.627 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.47 ' HA ' ' O ' ' A' ' 38' ' ' ARG . 22.7 p90 -139.04 149.22 44.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.568 1.167 . . . . 0.0 110.97 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.826 ' HA ' HG23 ' A' ' 61' ' ' VAL . 23.7 m-85 -124.17 155.12 39.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 110.973 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.404 ' N ' ' CG2' ' A' ' 61' ' ' VAL . 21.4 t0 -80.4 126.68 78.23 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.286 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.152 0 O-C-N 124.514 1.797 . . . . 0.0 110.976 -179.971 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.494 ' CD ' ' HD2' ' A' ' 60' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.547 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 18.4 Cg_endo -74.98 157.22 42.97 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.501 1.79 . . . . 0.0 111.046 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.826 HG23 ' HA ' ' A' ' 51' ' ' TYR . 2.3 t -67.71 -26.08 34.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -166.5 -111.77 0.25 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.454 1.096 . . . . 0.0 111.017 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 100.3 131.81 7.51 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.825 ' CE2' HG11 ' A' ' 94' ' ' VAL . 30.9 p90 -127.96 156.44 42.66 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 0.79 . . . . 0.0 110.992 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 20.8 p -63.08 165.57 6.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.548 1.155 . . . . 0.0 109.999 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.806 ' O ' HG22 ' A' ' 123' ' ' THR . 54.3 mt -119.89 -39.45 2.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 109.263 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.453 ' NH1' ' O ' ' A' ' 122' ' ' LEU . 0.0 OUTLIER -42.04 -59.04 1.88 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 110.259 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -98.28 54.94 1.12 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 19.6 m -145.05 -176.74 5.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 0.736 . . . . 0.0 110.024 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.607 HD22 HD12 ' A' ' 95' ' ' ILE . 1.8 tt -153.21 158.3 41.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.615 HG13 ' HD2' ' A' ' 120' ' ' LYS . 7.6 p -133.14 153.1 36.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 74.0 m -162.08 155.59 20.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.977 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -92.55 158.8 15.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.816 HD12 ' HB2' ' A' ' 91' ' ' LEU . 6.7 mt . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.27 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.816 ' HB2' HD12 ' A' ' 74' ' ' LEU . 1.1 mp . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.608 ' HB3' HD11 ' A' ' 116' ' ' ILE . 8.9 p90 -161.62 154.97 21.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 110.964 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.679 ' NZ ' HD11 ' A' ' 95' ' ' ILE . 0.0 OUTLIER -123.13 164.91 17.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.327 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.825 HG11 ' CE2' ' A' ' 64' ' ' PHE . 58.1 t -129.31 117.03 42.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.679 HD11 ' NZ ' ' A' ' 93' ' ' LYS . 11.2 mt -95.61 108.84 21.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 18.8 p -83.46 179.03 7.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.417 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.93 -19.44 51.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.38 10.49 17.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 33.4 t70 55.9 31.66 18.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.11 . . . . 0.0 109.304 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 60.1 m -97.03 120.28 37.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.4 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.569 ' CD2' HG12 ' A' ' 95' ' ' ILE . 15.4 m170 -86.95 109.38 19.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 109.658 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.401 ' O ' ' HA ' ' A' ' 93' ' ' LYS . 48.8 m-85 -98.11 102.92 14.8 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 1.132 . . . . 0.0 111.013 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -73.82 123.36 24.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 111.04 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.53 ' HB ' ' CZ ' ' A' ' 92' ' ' PHE . 47.6 mt -133.86 146.59 31.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.763 ' HB3' ' HB3' ' A' ' 25' ' ' ALA . 47.7 tt0 -105.9 146.71 29.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.288 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.509 ' HB1' ' HB3' ' A' ' 111' ' ' GLU . . . -102.75 155.71 18.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 14.7 t -53.11 -50.85 63.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 109.99 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -134.46 -178.84 5.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.998 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.21 -31.69 72.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -77.7 -50.42 12.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.509 ' HB3' ' HB1' ' A' ' 106' ' ' ALA . 0.6 OUTLIER -45.18 -37.98 4.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 110.29 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.443 ' HG2' HD12 ' A' ' 116' ' ' ILE . 3.1 ttp180 -58.67 -68.48 0.26 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 110.321 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -45.28 -42.24 9.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -64.19 -53.14 54.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 110.299 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' TRP . . . . . 0.517 ' CD2' ' HG2' ' A' ' 20' ' ' LYS . 55.7 m95 -58.6 -32.18 68.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 108.027 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.608 HD11 ' HB3' ' A' ' 92' ' ' PHE . 75.5 mt -74.64 -75.85 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 116' ' ' ILE . 2.3 tt0 -34.76 -43.69 0.19 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 110.318 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.467 ' HB1' HD13 ' A' ' 41' ' ' LEU . . . -54.72 -63.75 1.05 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.332 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.547 HG21 ' HB ' ' A' ' 71' ' ' VAL . 38.8 mt -43.75 -59.84 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.615 ' HD2' HG13 ' A' ' 71' ' ' VAL . 0.0 OUTLIER -38.87 -49.12 1.63 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.327 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -49.31 -60.87 2.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 109.311 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.63 HD12 ' HB2' ' A' ' 46' ' ' ALA . 1.1 mm? -50.08 -56.68 9.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.284 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . 0.806 HG22 ' O ' ' A' ' 66' ' ' LEU . 23.0 p . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 110.377 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.764 HG13 ' H ' ' A' ' 13' ' ' GLU . 1.1 p . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.764 ' H ' HG13 ' A' ' 12' ' ' VAL . 41.0 mt-10 -61.77 -42.48 99.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.338 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.688 HD21 ' CG ' ' A' ' 49' ' ' HIS . 5.7 mt -80.91 -6.75 59.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.15 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 13.7 p -88.53 48.36 1.62 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 110.012 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -121.04 155.81 16.25 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.507 1.129 . . . . 0.0 110.997 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.406 ' O ' ' HA ' ' A' ' 42' ' ' ARG . 5.8 m -70.16 128.21 35.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 0.737 . . . . 0.0 110.383 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.482 HG13 ' HG3' ' A' ' 21' ' ' GLN . 2.1 t -62.5 121.46 11.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.402 ' CG1' ' HE2' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -111.97 -31.71 2.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.534 ' HG2' ' CD2' ' A' ' 115' ' ' TRP . 2.5 tptt -149.51 141.17 23.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.842 ' NE2' HG23 ' A' ' 40' ' ' VAL . 6.4 mt-30 -146.99 151.36 36.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.288 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 156.57 -177.84 33.33 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.502 1.127 . . . . 0.0 111.016 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.472 ' CZ ' ' HD3' ' A' ' 38' ' ' ARG . 42.5 m-85 -106.86 134.46 49.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.564 0.803 . . . . 0.0 111.025 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.652 HD22 ' O ' ' A' ' 105' ' ' GLN . 15.4 mt -127.49 172.48 10.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.335 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.471 ' HB3' ' HB3' ' A' ' 105' ' ' GLN . . . -115.27 102.03 9.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 53.1 tttt -90.29 104.38 16.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.107 . . . . 0.0 109.314 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.413 ' HB2' ' CE2' ' A' ' 34' ' ' TRP . 4.2 tt0 . . . . . 0 C--N 1.324 -0.52 0 O-C-N 124.519 1.137 . . . . 0.0 110.269 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.413 ' CE2' ' HB2' ' A' ' 27' ' ' GLN . 39.3 m95 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.16 135.37 39.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.1 t -65.09 141.18 18.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 109.276 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.45 ' HB2' ' NH1' ' A' ' 37' ' ' ARG . 0.0 OUTLIER -147.69 134.57 20.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 110.274 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.472 ' HD3' ' CZ ' ' A' ' 23' ' ' TYR . 0.2 OUTLIER -75.33 103.86 5.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 110.302 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.497 ' CG ' HD12 ' A' ' 24' ' ' LEU . 12.6 m-85 -97.26 134.45 40.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 110.989 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 1.02 ' O ' HD12 ' A' ' 48' ' ' LEU . 12.0 p -118.76 141.04 40.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.34 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.82 ' HG ' HD13 ' A' ' 48' ' ' LEU . 0.4 OUTLIER -115.97 133.83 55.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.406 ' HA ' ' O ' ' A' ' 17' ' ' THR . 75.4 mtt-85 -133.33 173.26 11.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 45' ' ' PRO . 2.0 pttt -149.65 143.64 25.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.296 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.493 ' N ' ' C ' ' A' ' 45' ' ' PRO . 15.2 t0 50.55 77.14 0.48 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 109.321 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.493 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.1 Cg_endo -75.07 171.49 67.83 Favored 'Cis proline' 0 C--N 1.36 1.133 0 C-N-CA 121.017 -2.493 . . . . 0.0 110.98 0.056 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.58 ' CB ' HD12 ' A' ' 122' ' ' LEU . . . -97.71 105.67 17.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.357 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.528 ' CE2' ' OE1' ' A' ' 13' ' ' GLU . 25.8 m-85 -152.45 167.82 27.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 111.005 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 1.02 HD12 ' O ' ' A' ' 40' ' ' VAL . 5.7 tp -142.23 113.64 7.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.72 ' O ' HG12 ' A' ' 40' ' ' VAL . 54.3 m80 -116.23 165.3 13.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.609 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.624 ' C ' ' CD1' ' A' ' 51' ' ' TYR . 4.1 p90 -145.48 -175.31 4.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.984 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.855 ' HA ' HG23 ' A' ' 61' ' ' VAL . 29.5 m-85 -157.94 148.35 20.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 111.036 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -82.28 122.5 79.29 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.175 0 O-C-N 124.502 1.79 . . . . 0.0 111.006 -179.987 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 18.7 mmt85 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.611 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 18.4 Cg_endo -74.95 159.81 41.07 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.481 1.779 . . . . 0.0 111.002 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.855 HG23 ' HA ' ' A' ' 51' ' ' TYR . 2.8 t -75.32 -30.37 22.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.354 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -163.81 -117.07 0.4 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.471 1.107 . . . . 0.0 111.024 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.421 ' HA3' ' CD2' ' A' ' 49' ' ' HIS . . . 114.22 129.38 4.81 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.635 ' CE1' HD23 ' A' ' 48' ' ' LEU . 16.5 p90 -123.64 162.11 23.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 0.771 . . . . 0.0 111.016 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.3 p -74.82 156.54 36.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 109.997 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.69 ' O ' HG22 ' A' ' 123' ' ' THR . 54.2 mt -108.98 -36.42 6.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.2 OUTLIER -37.84 -70.44 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.308 179.929 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -90.73 53.36 3.36 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.518 1.136 . . . . 0.0 111.02 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 36.8 m -132.82 -174.96 3.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 0.76 . . . . 0.0 110.016 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.993 HD13 ' N ' ' A' ' 71' ' ' VAL . 3.2 tm? -155.74 154.7 31.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.993 ' N ' HD13 ' A' ' 70' ' ' LEU . 7.5 p -138.39 140.39 39.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.9 m -148.86 164.7 33.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.011 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -100.33 160.53 14.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.79 HD12 ' HB2' ' A' ' 91' ' ' LEU . 2.4 mt . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 109.284 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.79 ' HB2' HD12 ' A' ' 74' ' ' LEU . 1.1 mp . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.611 ' HB3' HD11 ' A' ' 116' ' ' ILE . 37.9 p90 -163.2 160.28 23.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 111.023 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.75 159.4 26.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.512 HG11 ' CE2' ' A' ' 64' ' ' PHE . 59.1 t -129.51 113.73 28.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.573 HG12 ' CD2' ' A' ' 101' ' ' HIS . 12.9 mt -92.56 103.79 14.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.265 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 81.1 p -81.51 177.01 9.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.421 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.89 -19.05 10.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -89.19 15.29 9.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 51.14 23.59 1.64 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.1 . . . . 0.0 109.331 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 89.0 m -88.71 122.12 31.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.379 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.573 ' CD2' HG12 ' A' ' 95' ' ' ILE . 15.1 m170 -88.9 105.79 17.98 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.546 1.154 . . . . 0.0 109.569 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 -94.91 101.96 13.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.569 1.168 . . . . 0.0 110.99 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -77.66 121.23 23.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.934 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.518 HG22 ' N ' ' A' ' 105' ' ' GLN . 61.4 mt -126.37 166.64 22.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.652 ' O ' HD22 ' A' ' 24' ' ' LEU . 16.9 tt0 -121.29 148.95 43.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.327 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.494 ' HB1' ' HB3' ' A' ' 111' ' ' GLU . . . -112.66 157.22 21.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.02 -51.98 62.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 109.984 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -134.37 -175.96 4.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 110.012 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.19 -36.71 84.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -72.93 -51.51 18.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.494 ' HB3' ' HB1' ' A' ' 106' ' ' ALA . 1.2 tp10 -45.09 -36.54 3.67 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 110.338 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.434 ' HA ' ' HB2' ' A' ' 106' ' ' ALA . 17.5 ttp180 -59.3 -67.88 0.33 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 110.319 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 117' ' ' GLU . . . -46.44 -45.67 18.28 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -49.51 -57.86 6.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 110.3 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' TRP . . . . . 0.534 ' CD2' ' HG2' ' A' ' 20' ' ' LYS . 72.9 m95 -59.62 -45.67 91.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 108.039 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.611 HD11 ' HB3' ' A' ' 92' ' ' PHE . 42.5 mt -56.17 -77.59 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 113' ' ' ALA . 2.2 tt0 -39.66 -41.32 1.04 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 110.307 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.407 ' HB3' ' O ' ' A' ' 115' ' ' TRP . . . -54.24 -56.5 17.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 10.4 mt -57.04 -51.85 63.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.496 ' CG ' ' CG1' ' A' ' 71' ' ' VAL . 19.3 mttt -44.79 -36.37 3.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.132 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.445 ' CG ' ' O ' ' A' ' 117' ' ' GLU . 11.3 mttt -60.64 -61.04 2.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.293 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.58 HD12 ' CB ' ' A' ' 46' ' ' ALA . 0.8 OUTLIER -47.39 -58.84 3.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.112 . . . . 0.0 109.271 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . 0.69 HG22 ' O ' ' A' ' 66' ' ' LEU . 43.1 p . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.438 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.72 HG13 ' H ' ' A' ' 13' ' ' GLU . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.72 ' H ' HG13 ' A' ' 12' ' ' VAL . 43.9 mt-10 -55.69 -43.52 76.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.323 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.446 ' O ' ' NH1' ' A' ' 42' ' ' ARG . 0.9 OUTLIER -84.38 -13.29 52.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 9.4 t -81.63 62.35 5.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.437 1.086 . . . . 0.0 109.996 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.404 ' HA2' ' O ' ' A' ' 44' ' ' ASP . . . -141.55 170.47 24.74 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.526 1.141 . . . . 0.0 110.98 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.475 ' CB ' ' HD3' ' A' ' 43' ' ' LYS . 6.6 m -76.84 144.33 39.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 0.769 . . . . 0.0 110.369 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.418 HG13 ' HG3' ' A' ' 21' ' ' GLN . 2.1 t -80.43 128.59 38.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.289 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.72 HG13 ' CE ' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -111.31 -43.45 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.315 179.928 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.537 ' HG2' ' CD2' ' A' ' 115' ' ' TRP . 4.3 tptt -144.96 140.52 28.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.764 ' HG2' HG23 ' A' ' 40' ' ' VAL . 30.6 mt-30 -145.23 148.95 34.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.433 1.083 . . . . 0.0 110.302 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 162.85 -160.15 32.57 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.446 1.091 . . . . 0.0 110.993 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.554 ' CE2' ' HB2' ' A' ' 38' ' ' ARG . 68.9 m-85 -119.77 121.5 39.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 0.762 . . . . 0.0 111.015 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.688 HD22 ' O ' ' A' ' 105' ' ' GLN . 39.6 mt -114.18 169.45 9.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.634 ' HB3' ' HB3' ' A' ' 105' ' ' GLN . . . -118.5 106.35 12.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 109.25 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 60.8 tttt -88.67 113.98 24.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.516 ' HB2' ' CE2' ' A' ' 34' ' ' TRP . 42.7 tt0 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 110.268 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.516 ' CE2' ' HB2' ' A' ' 27' ' ' GLN . 24.6 m95 . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.401 ' O ' ' HA ' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -118.93 136.85 53.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.279 -179.934 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.4 t -82.61 139.43 17.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.5 ttp180 -149.9 149.3 30.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.291 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.554 ' HB2' ' CE2' ' A' ' 23' ' ' TYR . 9.9 ttp180 -78.67 102.91 8.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.436 1.085 . . . . 0.0 110.351 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.558 ' CD1' ' HB2' ' A' ' 24' ' ' LEU . 16.2 m-85 -95.83 140.41 30.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 111.039 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.945 ' O ' HD12 ' A' ' 48' ' ' LEU . 12.0 p -123.48 137.93 55.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.848 ' HG ' HD13 ' A' ' 48' ' ' LEU . 0.7 OUTLIER -112.28 114.77 27.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.446 ' NH1' ' O ' ' A' ' 14' ' ' LEU . 1.7 mtt180 -117.22 150.28 39.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.329 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.72 ' CE ' HG13 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -124.77 154.25 41.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.458 ' HA ' ' HA ' ' A' ' 45' ' ' PRO . 1.2 t70 41.33 79.8 0.31 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.265 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.483 ' CG ' ' O ' ' A' ' 12' ' ' VAL . 18.4 Cg_endo -74.97 170.33 72.12 Favored 'Cis proline' 0 C--N 1.36 1.174 0 C-N-CA 120.979 -2.509 . . . . 0.0 111.026 -0.049 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.43 ' HB1' ' HB3' ' A' ' 122' ' ' LEU . . . -95.13 106.7 18.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 109.258 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.422 ' CD1' ' O ' ' A' ' 46' ' ' ALA . 45.5 m-85 -152.34 178.38 9.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.984 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.945 HD12 ' O ' ' A' ' 40' ' ' VAL . 10.0 tp -151.96 119.57 6.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.615 ' O ' HG12 ' A' ' 40' ' ' VAL . 65.5 m80 -125.09 163.8 21.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 109.587 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.612 ' C ' ' CD1' ' A' ' 51' ' ' TYR . 1.8 p90 -139.55 -177.39 4.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.964 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.768 ' HA ' HG23 ' A' ' 61' ' ' VAL . 32.3 m-85 -158.71 146.16 17.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 111.003 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 62.8 t0 -78.53 123.86 85.5 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.166 0 O-C-N 124.521 1.801 . . . . 0.0 111.009 -179.979 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 41.2 mmt-85 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.364 -0.235 . . . . 0.0 110.364 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.59 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 18.3 Cg_endo -74.97 162.51 37.06 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.537 1.809 . . . . 0.0 111.047 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.768 HG23 ' HA ' ' A' ' 51' ' ' TYR . 2.1 t -70.88 -28.1 32.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -167.92 -118.22 0.43 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.457 1.098 . . . . 0.0 111.038 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.498 ' HA3' ' CD2' ' A' ' 49' ' ' HIS . . . 113.27 134.19 5.97 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.721 ' CE2' HG11 ' A' ' 94' ' ' VAL . 11.3 p90 -128.38 161.87 28.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 0.752 . . . . 0.0 110.996 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -75.91 150.44 37.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.987 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.576 ' O ' HG22 ' A' ' 123' ' ' THR . 29.1 mt -102.67 -32.32 9.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 109.29 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -38.25 -57.91 1.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 110.297 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -102.87 42.92 1.78 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.479 1.112 . . . . 0.0 110.989 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.409 ' OG ' ' HA ' ' A' ' 66' ' ' LEU . 4.6 p -121.31 -174.37 2.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 0.775 . . . . 0.0 110.013 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 95' ' ' ILE . 0.8 OUTLIER -155.26 168.52 26.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.567 ' CG1' ' HG3' ' A' ' 120' ' ' LYS . 8.1 p -153.44 145.49 14.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.327 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 13.7 m -161.63 160.81 29.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.991 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -93.9 135.78 34.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.81 HD22 ' CE2' ' A' ' 103' ' ' TYR . 1.6 mt . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.132 . . . . 0.0 109.25 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.765 ' HB2' HD12 ' A' ' 74' ' ' LEU . 1.9 mp . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.661 ' HB3' HD11 ' A' ' 116' ' ' ILE . 27.8 p90 -151.71 165.51 34.15 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.135 . . . . 0.0 110.965 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.615 ' HB3' HD21 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -121.86 166.75 13.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.721 HG11 ' CE2' ' A' ' 64' ' ' PHE . 76.6 t -132.6 100.7 4.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.266 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.902 HG23 ' CD2' ' A' ' 101' ' ' HIS . 40.7 mt -85.54 117.54 30.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.125 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 44.0 p -88.69 -166.65 1.65 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.575 1.172 . . . . 0.0 110.439 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.05 -9.71 59.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 0.0 109.308 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -100.6 4.3 43.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.488 ' C ' ' CD2' ' A' ' 101' ' ' HIS . 1.8 t70 56.38 36.6 27.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.272 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.476 HG21 ' CE2' ' A' ' 102' ' ' TYR . 50.2 m -70.09 -57.38 5.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 110.43 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.902 ' CD2' HG23 ' A' ' 95' ' ' ILE . 4.0 m170 79.88 94.93 0.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.097 . . . . 0.0 109.573 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.476 ' CE2' HG21 ' A' ' 100' ' ' THR . 59.6 m-85 -103.21 115.34 30.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 110.998 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . 0.81 ' CE2' HD22 ' A' ' 74' ' ' LEU . 3.5 m-85 -81.19 114.57 20.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 111.021 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.561 ' HB ' ' CZ ' ' A' ' 92' ' ' PHE . 66.2 mt -117.48 165.19 13.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.688 ' O ' HD22 ' A' ' 24' ' ' LEU . 66.0 tt0 -121.15 158.52 27.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.281 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.548 ' HB1' ' HB3' ' A' ' 111' ' ' GLU . . . -114.45 151.12 33.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.294 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 42.9 t -52.32 -48.68 65.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 110.005 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.4 156.43 47.6 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 109.988 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.43 -38.94 0.9 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -68.87 -58.8 3.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.548 ' HB3' ' HB1' ' A' ' 106' ' ' ALA . 0.8 OUTLIER -39.17 -39.36 0.59 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.322 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.527 ' HA ' ' HB2' ' A' ' 106' ' ' ALA . 16.2 ttp180 -56.42 -70.94 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 110.293 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -41.0 -49.68 3.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.289 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 38.5 mm-40 -58.17 -59.4 5.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 110.293 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' TRP . . . . . 0.575 ' CD1' HD21 ' A' ' 24' ' ' LEU . 40.1 m95 -49.5 -36.29 22.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.122 . . . . 0.0 108.025 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.661 HD11 ' HB3' ' A' ' 92' ' ' PHE . 86.2 mt -71.46 -74.49 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 116' ' ' ILE . 2.5 tt0 -34.92 -42.82 0.17 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.276 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.475 ' HB1' HD13 ' A' ' 41' ' ' LEU . . . -56.8 -64.39 0.89 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.491 HG21 ' HB ' ' A' ' 71' ' ' VAL . 89.9 mt -42.52 -61.08 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.544 1.152 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.567 ' HG3' ' CG1' ' A' ' 71' ' ' VAL . 1.6 mptp? -37.53 -54.03 1.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.333 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 11.4 mttt -42.82 -57.29 2.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.457 HD23 HD13 ' A' ' 66' ' ' LEU . 0.4 OUTLIER -51.77 -56.19 15.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . 0.576 HG22 ' O ' ' A' ' 66' ' ' LEU . 80.9 p . . . . . 0 C--N 1.326 -0.429 0 O-C-N 124.478 1.111 . . . . 0.0 110.377 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.744 HG13 ' H ' ' A' ' 13' ' ' GLU . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.744 ' H ' HG13 ' A' ' 12' ' ' VAL . 42.1 mt-10 -61.06 -40.94 95.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.314 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.601 HD21 ' CD2' ' A' ' 49' ' ' HIS . 3.2 mt -84.21 4.67 29.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 10.2 t -106.09 62.79 0.66 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.981 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -134.12 169.61 22.89 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.481 1.113 . . . . 0.0 111.041 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 43' ' ' LYS . 1.8 m -79.03 123.4 27.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 0.761 . . . . 0.0 110.405 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.499 HG13 ' HG3' ' A' ' 21' ' ' GLN . 2.2 t -60.1 124.13 13.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.241 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -110.49 -26.52 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 109.291 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.533 ' HG2' ' CD2' ' A' ' 115' ' ' TRP . 2.6 tptt -158.77 140.94 13.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.554 ' OE1' HG23 ' A' ' 40' ' ' VAL . 20.6 mt-30 -146.55 145.2 30.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 110.306 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 163.45 -167.04 37.5 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.503 1.127 . . . . 0.0 111.009 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.508 ' CZ ' ' HD3' ' A' ' 38' ' ' ARG . 27.4 m-85 -115.15 121.36 42.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 0.775 . . . . 0.0 111.004 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.688 HD11 ' CD2' ' A' ' 115' ' ' TRP . 60.0 mt -116.91 167.12 11.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.62 ' HB3' ' HB3' ' A' ' 105' ' ' GLN . . . -113.13 124.86 53.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 44.1 tttm -109.44 131.7 54.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.512 ' HB2' ' CE2' ' A' ' 34' ' ' TRP . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.266 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.512 ' CE2' ' HB2' ' A' ' 27' ' ' GLN . 17.0 m0 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.25 129.76 52.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.406 ' O ' HG12 ' A' ' 36' ' ' VAL . 0.9 OUTLIER -76.96 115.82 19.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 0.0 109.368 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.669 ' HD3' HG21 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -122.43 148.51 45.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.249 -179.945 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.508 ' HD3' ' CZ ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -82.12 103.91 12.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 110.289 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.443 ' CD1' ' HB2' ' A' ' 24' ' ' LEU . 20.1 m-85 -96.89 138.9 33.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.988 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.883 ' O ' HD12 ' A' ' 48' ' ' LEU . 13.6 p -124.35 139.08 51.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.336 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.847 ' HG ' HD13 ' A' ' 48' ' ' LEU . 0.8 OUTLIER -115.59 132.5 56.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.8 mtt180 -131.74 167.41 19.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 110.302 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 17' ' ' THR . 0.5 OUTLIER -142.17 141.2 32.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 109.301 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.491 ' N ' ' C ' ' A' ' 45' ' ' PRO . 9.1 t0 51.36 77.24 0.47 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.491 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.3 Cg_endo -74.98 169.62 74.05 Favored 'Cis proline' 0 C--N 1.36 1.165 0 C-N-CA 120.98 -2.508 . . . . 0.0 111.028 -0.014 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.429 ' HB1' ' HB3' ' A' ' 122' ' ' LEU . . . -98.85 100.54 11.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.572 ' CE2' ' HG2' ' A' ' 13' ' ' GLU . 13.6 m-85 -144.68 167.76 21.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 111.0 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.883 HD12 ' O ' ' A' ' 40' ' ' VAL . 11.7 tp -141.46 114.56 8.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 109.33 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.625 ' O ' HG12 ' A' ' 40' ' ' VAL . 53.7 m80 -117.81 156.54 28.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.589 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.497 ' CD1' ' NH1' ' A' ' 37' ' ' ARG . 24.5 p90 -141.09 140.92 34.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 111.014 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.609 ' HA ' HG23 ' A' ' 61' ' ' VAL . 28.8 m-85 -112.93 158.3 20.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 110.969 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.577 ' N ' ' CG2' ' A' ' 61' ' ' VAL . 1.1 p30 -97.74 123.84 50.35 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.175 0 O-C-N 124.489 1.784 . . . . 0.0 111.015 179.978 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 23.3 mmt85 . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 110.257 -0.275 . . . . 0.0 110.257 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.511 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 18.3 Cg_endo -74.98 170.5 20.28 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.494 1.786 . . . . 0.0 110.981 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.669 HG21 ' HD3' ' A' ' 37' ' ' ARG . 0.3 OUTLIER -87.13 -20.19 7.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.442 1.089 . . . . 0.0 109.316 179.93 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -171.86 -137.62 2.37 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.507 1.129 . . . . 0.0 110.983 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 134.55 121.9 2.2 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.694 ' CZ ' HD23 ' A' ' 48' ' ' LEU . 1.9 p90 -116.9 163.25 16.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 0.768 . . . . 0.0 110.999 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 12.1 p -73.52 153.84 40.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.108 . . . . 0.0 110.03 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.797 HD13 HD23 ' A' ' 122' ' ' LEU . 99.3 mt -108.81 -42.37 4.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.38 -32.21 7.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 110.283 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -117.55 49.33 0.87 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.475 1.109 . . . . 0.0 110.968 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 26.2 m -145.67 -174.7 4.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 0.75 . . . . 0.0 110.036 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.631 ' O ' HG13 ' A' ' 94' ' ' VAL . 0.7 OUTLIER -152.9 169.33 23.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.16 . . . . 0.0 109.287 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.593 HG12 ' HG2' ' A' ' 120' ' ' LYS . 11.3 p -147.52 149.09 15.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.329 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.5 m -160.55 167.07 27.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.992 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -93.63 161.74 14.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.579 HD21 ' HB3' ' A' ' 93' ' ' LYS . 12.8 mt . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.506 ' CB ' HD12 ' A' ' 74' ' ' LEU . 1.2 mt . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.564 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 20.3 p90 -173.73 145.27 1.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 111.007 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.579 ' HB3' HD21 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -106.67 167.06 10.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 109.298 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.631 HG13 ' O ' ' A' ' 70' ' ' LEU . 71.0 t -135.71 106.21 5.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 0.0 109.253 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.841 HG23 ' CD2' ' A' ' 101' ' ' HIS . 51.6 mt -85.15 109.27 17.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.158 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.424 HG21 ' CE2' ' A' ' 102' ' ' TYR . 7.3 p -87.58 177.34 7.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.412 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 6.3 tttt -58.57 -24.86 61.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.309 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -84.86 7.35 21.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.276 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 44.8 42.45 6.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 2.7 m -82.33 -49.08 10.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.579 1.174 . . . . 0.0 110.38 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.841 ' CD2' HG23 ' A' ' 95' ' ' ILE . 4.2 m170 79.08 92.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 109.591 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.424 ' CE2' HG21 ' A' ' 96' ' ' THR . 45.2 m-85 -94.12 126.77 39.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 111.023 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -89.85 127.53 36.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 110.992 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.564 ' HB ' ' CZ ' ' A' ' 92' ' ' PHE . 60.0 mt -134.67 161.19 40.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.275 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.62 ' HB3' ' HB3' ' A' ' 25' ' ' ALA . 3.5 tp60 -119.62 151.68 38.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.309 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.521 ' HB3' ' HB2' ' A' ' 112' ' ' ARG . . . -106.0 153.55 21.86 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 109.365 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.18 -44.83 90.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.04 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -133.28 166.61 22.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.999 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 2.9 mptt -56.12 -26.15 48.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.112 . . . . 0.0 109.285 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -84.17 -52.88 5.91 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 0.0 109.265 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.458 ' HB3' ' HB1' ' A' ' 106' ' ' ALA . 0.7 OUTLIER -39.83 -40.85 1.04 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.271 -179.933 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.574 ' NE ' HD12 ' A' ' 116' ' ' ILE . 2.7 ttp180 -60.57 -72.9 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.31 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -41.42 -33.22 0.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -74.17 -50.51 18.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.309 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' TRP . . . . . 0.688 ' CD2' HD11 ' A' ' 24' ' ' LEU . 58.7 m95 -62.93 -24.02 67.66 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.574 HD12 ' NE ' ' A' ' 112' ' ' ARG . 63.5 mt -79.85 -77.1 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 116' ' ' ILE . 2.1 tt0 -37.74 -43.23 0.64 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 110.274 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.406 ' HB1' HD13 ' A' ' 41' ' ' LEU . . . -54.81 -59.07 5.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.572 HD12 ' O ' ' A' ' 115' ' ' TRP . 35.8 mt -50.45 -56.69 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 0.0 109.275 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.593 ' HG2' HG12 ' A' ' 71' ' ' VAL . 18.1 mttt -40.85 -51.85 3.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 13.3 mttt -42.26 -60.31 1.51 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.797 HD23 HD13 ' A' ' 66' ' ' LEU . 0.3 OUTLIER -52.75 -53.8 42.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.32 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . 0.755 HG22 ' O ' ' A' ' 66' ' ' LEU . 22.0 p . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.411 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.743 HG13 ' H ' ' A' ' 13' ' ' GLU . 2.4 p . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.743 ' H ' HG13 ' A' ' 12' ' ' VAL . 2.9 mt-10 -83.2 -25.84 31.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.275 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.613 HD23 ' OH ' ' A' ' 51' ' ' TYR . 6.1 mp -83.19 -1.42 52.96 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.35 53.61 2.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.561 1.163 . . . . 0.0 110.083 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -129.01 151.03 18.98 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.506 1.129 . . . . 0.0 110.996 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.446 ' N ' ' O ' ' A' ' 43' ' ' LYS . 1.2 m -68.69 118.9 12.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 0.762 . . . . 0.0 110.432 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.474 HG13 ' HG3' ' A' ' 21' ' ' GLN . 2.2 t -47.69 121.86 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.53 HG13 ' HE2' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -109.94 -18.99 7.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.543 ' HG2' ' CD2' ' A' ' 115' ' ' TRP . 3.5 tptt -168.95 140.26 2.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.336 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.698 HE21 HG23 ' A' ' 40' ' ' VAL . 50.2 mt-30 -142.19 150.27 40.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.456 1.098 . . . . 0.0 110.305 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 159.35 -179.59 34.84 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.525 1.141 . . . . 0.0 111.023 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.43 ' CZ ' ' HD3' ' A' ' 38' ' ' ARG . 53.0 m-85 -111.16 122.77 48.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 0.76 . . . . 0.0 110.992 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.546 HD22 ' HA ' ' A' ' 106' ' ' ALA . 9.1 mt -117.28 172.09 7.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -120.25 106.99 12.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.312 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -76.29 148.43 37.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.52 ' HG3' ' CE2' ' A' ' 34' ' ' TRP . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.234 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.52 ' CE2' ' HG3' ' A' ' 27' ' ' GLN . 93.4 m95 . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.46 118.69 26.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.9 t -57.01 130.74 20.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -142.71 148.85 37.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 110.312 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.43 ' HD3' ' CZ ' ' A' ' 23' ' ' TYR . 0.5 OUTLIER -81.23 102.92 10.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 110.282 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.477 ' CG ' HD12 ' A' ' 24' ' ' LEU . 24.5 m-85 -96.92 127.9 43.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 0.0 110.977 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.967 ' O ' HD12 ' A' ' 48' ' ' LEU . 7.5 p -114.86 141.06 32.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.673 ' HG ' HD13 ' A' ' 48' ' ' LEU . 0.4 OUTLIER -118.47 126.78 52.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.4 ' NH1' ' O ' ' A' ' 14' ' ' LEU . 49.1 mtt-85 -125.93 164.75 20.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.124 . . . . 0.0 110.305 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.53 ' HE2' HG13 ' A' ' 19' ' ' VAL . 1.6 pttt -138.93 145.57 39.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.16 . . . . 0.0 109.287 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.486 ' N ' ' C ' ' A' ' 45' ' ' PRO . 0.7 OUTLIER 48.98 77.51 0.46 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.357 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.486 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.2 Cg_endo -75.08 170.64 71.31 Favored 'Cis proline' 0 C--N 1.36 1.169 0 C-N-CA 120.996 -2.502 . . . . 0.0 110.958 0.127 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.74 ' CB ' HD12 ' A' ' 122' ' ' LEU . . . -96.59 94.98 7.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.553 ' CD2' ' HB3' ' A' ' 13' ' ' GLU . 12.7 m-85 -141.71 157.41 45.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 111.024 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.967 HD12 ' O ' ' A' ' 40' ' ' VAL . 6.6 tp -130.38 113.91 14.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.725 ' O ' HG12 ' A' ' 40' ' ' VAL . 71.4 m80 -115.47 161.95 17.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.647 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.512 ' O ' HG23 ' A' ' 61' ' ' VAL . 26.3 p90 -145.93 144.46 30.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.462 1.102 . . . . 0.0 111.01 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.7 ' HA ' HG23 ' A' ' 61' ' ' VAL . 12.3 m-85 -120.39 148.5 43.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 111.031 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 47.7 t0 -81.24 122.5 81.4 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.182 0 O-C-N 124.514 1.797 . . . . 0.0 111.03 179.981 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.548 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 18.3 Cg_endo -74.99 174.38 12.88 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.523 1.802 . . . . 0.0 111.012 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.7 HG23 ' HA ' ' A' ' 51' ' ' TYR . 1.8 t -92.63 -24.13 5.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -164.51 -119.52 0.48 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.519 1.137 . . . . 0.0 110.987 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.467 ' HA3' ' CD2' ' A' ' 49' ' ' HIS . . . 116.92 123.93 3.49 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.625 ' CZ ' HD23 ' A' ' 48' ' ' LEU . 1.6 p90 -120.54 157.25 29.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 0.766 . . . . 0.0 111.017 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.0 p -69.17 149.0 49.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.983 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.484 ' O ' HG22 ' A' ' 123' ' ' THR . 37.8 mt -99.6 -46.63 5.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -36.97 -54.96 0.94 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.516 1.135 . . . . 0.0 110.3 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -99.74 56.56 0.86 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.511 1.132 . . . . 0.0 110.999 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.404 ' HA ' ' HA ' ' A' ' 96' ' ' THR . 4.8 m -140.49 -177.92 5.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 0.74 . . . . 0.0 109.967 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 1.024 HD13 ' N ' ' A' ' 71' ' ' VAL . 3.2 tm? -155.89 153.23 29.34 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.554 1.159 . . . . 0.0 109.329 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 1.024 ' N ' HD13 ' A' ' 70' ' ' LEU . 14.7 p -141.1 143.45 28.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.9 m -158.89 163.63 36.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.996 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -96.03 152.08 18.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.117 . . . . 0.0 109.305 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.535 ' CD2' ' CZ ' ' A' ' 103' ' ' TYR . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.447 1.092 . . . . 0.0 109.264 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.466 ' HB2' HD12 ' A' ' 74' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.565 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 23.3 p90 -161.59 173.37 14.87 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.484 1.115 . . . . 0.0 111.009 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.442 ' HE2' ' CG1' ' A' ' 95' ' ' ILE . 0.0 OUTLIER -130.11 154.73 47.19 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 91.4 t -123.33 102.71 11.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.142 . . . . 0.0 109.294 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.57 HG12 ' CD2' ' A' ' 101' ' ' HIS . 25.2 mt -86.12 106.25 15.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.404 ' HA ' ' HA ' ' A' ' 69' ' ' SER . 27.2 p -83.94 175.19 9.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 110.378 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 3.2 tttp -59.38 -15.76 18.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.404 ' C ' ' CG ' ' A' ' 99' ' ' ASP . 0.3 OUTLIER -88.67 19.53 3.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.404 ' CG ' ' C ' ' A' ' 98' ' ' ASP . 0.1 OUTLIER 48.22 25.96 0.96 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.283 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 91.6 m -96.23 121.87 38.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 110.386 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.57 ' CD2' HG12 ' A' ' 95' ' ' ILE . 13.6 m170 -90.43 108.21 19.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.602 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 54.6 m-85 -100.3 102.63 13.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.968 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . 0.535 ' CZ ' ' CD2' ' A' ' 74' ' ' LEU . 3.2 m-85 -75.53 127.02 32.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.998 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.565 ' HB ' ' CZ ' ' A' ' 92' ' ' PHE . 53.4 mt -125.41 162.3 28.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.45 ' N ' ' CG2' ' A' ' 104' ' ' ILE . 4.9 tt0 -123.47 128.3 49.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 110.332 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.565 ' HB1' ' HB3' ' A' ' 111' ' ' GLU . . . -81.57 169.12 17.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.131 . . . . 0.0 109.336 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 10.5 t -83.18 -46.83 12.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 110.045 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -127.96 174.13 9.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.012 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.79 -59.02 5.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 111' ' ' GLU . . . -54.85 -54.19 45.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.565 ' HB3' ' HB1' ' A' ' 106' ' ' ALA . 0.0 OUTLIER -38.06 -41.5 0.58 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.442 1.089 . . . . 0.0 110.303 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.537 HH11 ' N ' ' A' ' 113' ' ' ALA . 0.0 OUTLIER -52.61 -71.12 0.07 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 0.0 110.298 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.537 ' N ' HH11 ' A' ' 112' ' ' ARG . . . -55.04 -43.89 74.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.418 1.074 . . . . 0.0 109.292 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.444 ' OE1' ' NZ ' ' A' ' 20' ' ' LYS . 6.7 mt-10 -47.81 -63.33 1.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.14 . . . . 0.0 110.301 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' TRP . . . . . 0.61 ' O ' HD12 ' A' ' 119' ' ' ILE . 80.7 m95 -54.17 -43.66 70.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 108.015 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.501 HD12 ' NH1' ' A' ' 112' ' ' ARG . 35.3 mt -55.27 -78.34 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.402 ' N ' HG22 ' A' ' 116' ' ' ILE . 0.3 OUTLIER -39.67 -48.46 2.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 110.296 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.405 ' HB1' HD13 ' A' ' 41' ' ' LEU . . . -45.66 -59.58 2.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.62 ' O ' HG23 ' A' ' 123' ' ' THR . 5.6 mt -55.48 -42.69 69.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.524 ' HG2' ' CG1' ' A' ' 71' ' ' VAL . 18.9 mttt -58.52 -47.68 83.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 22.8 mttt -49.95 -60.68 2.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.74 HD12 ' CB ' ' A' ' 46' ' ' ALA . 1.1 mm? -47.55 -57.82 4.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . 0.62 HG23 ' O ' ' A' ' 119' ' ' ILE . 26.0 p . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 110.371 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.697 HG13 ' H ' ' A' ' 13' ' ' GLU . 2.7 p . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.697 ' H ' HG13 ' A' ' 12' ' ' VAL . 55.2 mt-10 -58.11 -49.37 77.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 110.305 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.702 HD11 ' CG ' ' A' ' 49' ' ' HIS . 1.6 mm? -81.67 -1.28 46.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.49 63.84 3.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 110.005 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.473 ' CA ' ' HD2' ' A' ' 45' ' ' PRO . . . -138.2 161.52 25.61 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.504 1.127 . . . . 0.0 110.949 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 33.5 m -68.16 114.11 6.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 0.781 . . . . 0.0 110.359 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.2 t -67.24 115.45 5.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.552 HG13 ' HG2' ' A' ' 43' ' ' LYS . 0.3 OUTLIER -102.22 -30.58 3.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.546 ' HG2' ' CD2' ' A' ' 115' ' ' TRP . 8.4 tptt -144.87 146.05 31.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -167.12 129.47 1.7 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.105 . . . . 0.0 110.276 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -169.54 -146.27 4.99 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.466 1.104 . . . . 0.0 110.981 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.542 ' CE1' ' HD3' ' A' ' 38' ' ' ARG . 57.7 m-85 -127.8 109.85 12.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 0.777 . . . . 0.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.58 HD12 ' CG ' ' A' ' 39' ' ' PHE . 26.0 mt -105.63 171.46 7.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.569 ' HB3' ' HB3' ' A' ' 105' ' ' GLN . . . -124.29 102.06 7.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 29.2 tttt -87.29 119.88 28.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.332 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 46.8 m95 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.419 ' O ' ' HA ' ' A' ' 25' ' ' ALA . 11.4 mmtt -94.06 130.32 40.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.8 t -78.32 131.12 35.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 109.339 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.593 ' NH1' HG11 ' A' ' 61' ' ' VAL . 0.4 OUTLIER -138.05 156.53 47.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.298 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.542 ' HD3' ' CE1' ' A' ' 23' ' ' TYR . 1.2 ttp180 -91.35 102.93 15.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.56 1.163 . . . . 0.0 110.321 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.58 ' CG ' HD12 ' A' ' 24' ' ' LEU . 23.6 m-85 -96.29 141.42 29.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 111.015 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.799 ' O ' HD12 ' A' ' 48' ' ' LEU . 5.4 p -124.51 139.47 50.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.558 ' CD1' ' HB1' ' A' ' 118' ' ' ALA . 0.0 OUTLIER -114.81 118.5 33.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 109.341 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.604 HH21 HG11 ' A' ' 40' ' ' VAL . 5.4 mtt-85 -117.51 150.63 38.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 110.268 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.552 ' HG2' HG13 ' A' ' 19' ' ' VAL . 0.5 OUTLIER -130.06 148.64 51.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.569 1.168 . . . . 0.0 109.294 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.465 ' N ' ' C ' ' A' ' 45' ' ' PRO . 19.4 t0 40.7 78.96 0.34 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.473 ' HD2' ' CA ' ' A' ' 16' ' ' GLY . 18.2 Cg_endo -75.0 165.47 85.84 Favored 'Cis proline' 0 C--N 1.359 1.12 0 C-N-CA 120.979 -2.509 . . . . 0.0 111.015 -0.035 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.858 ' HB2' HD12 ' A' ' 122' ' ' LEU . . . -93.39 113.36 25.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.528 ' CE2' ' HG2' ' A' ' 13' ' ' GLU . 2.0 m-85 -157.08 157.22 34.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 111.039 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.799 HD12 ' O ' ' A' ' 40' ' ' VAL . 23.8 tp -133.47 113.38 12.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.702 ' CG ' HD11 ' A' ' 14' ' ' LEU . 73.1 m80 -120.05 166.38 13.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 109.626 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.447 ' O ' ' CD1' ' A' ' 50' ' ' TYR . 21.4 p90 -154.9 141.78 19.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 111.001 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.957 ' HA ' HG23 ' A' ' 61' ' ' VAL . 4.7 m-85 -117.06 163.62 15.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 111.014 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -91.57 122.92 65.05 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 109.286 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.184 0 O-C-N 124.452 1.764 . . . . 0.0 110.997 180.0 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.452 ' CG ' ' HD2' ' A' ' 60' ' ' PRO . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.602 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 18.2 Cg_endo -75.07 158.14 42.09 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.499 1.789 . . . . 0.0 110.996 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.957 HG23 ' HA ' ' A' ' 51' ' ' TYR . 3.9 t -75.21 -31.26 24.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -161.95 -115.58 0.36 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.477 1.111 . . . . 0.0 111.024 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 101.31 126.3 5.8 Favored Glycine 0 CA--C 1.531 1.041 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.621 ' HE1' HD23 ' A' ' 48' ' ' LEU . 0.1 OUTLIER -110.89 -176.94 3.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 0.782 . . . . 0.0 111.003 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 66.8 m -88.68 161.2 16.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 110.018 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.71 ' O ' HG22 ' A' ' 123' ' ' THR . 72.3 mt -110.61 -38.43 5.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.9 OUTLIER -38.41 -64.01 0.46 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 110.317 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -99.4 48.18 1.29 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.495 1.122 . . . . 0.0 111.006 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.414 ' OG ' ' HA ' ' A' ' 66' ' ' LEU . 7.0 p -123.47 -173.08 2.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 0.772 . . . . 0.0 109.981 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -156.23 167.95 28.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.345 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.488 ' CG1' ' HG2' ' A' ' 120' ' ' LYS . 7.3 p -153.0 143.04 14.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.554 1.159 . . . . 0.0 109.295 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 37.6 m -158.81 156.51 29.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.972 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -92.81 153.04 19.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.336 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.935 HD12 ' HB2' ' A' ' 91' ' ' LEU . 2.2 mt . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.935 ' HB2' HD12 ' A' ' 74' ' ' LEU . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.663 ' HB3' HD11 ' A' ' 116' ' ' ILE . 12.8 p90 -153.95 167.99 27.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 110.935 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.98 167.4 19.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.328 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 67.3 t -126.73 107.34 16.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.723 HG23 ' CD2' ' A' ' 101' ' ' HIS . 84.5 mt -89.2 111.62 23.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 0.0 109.272 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.415 HG21 ' HE2' ' A' ' 102' ' ' TYR . 69.1 p -81.71 -178.1 6.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.394 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.75 -9.65 51.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -105.15 19.37 20.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.443 ' C ' ' CD2' ' A' ' 101' ' ' HIS . 0.7 OUTLIER 43.8 42.78 4.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 109.288 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.603 HG21 ' CZ ' ' A' ' 102' ' ' TYR . 54.6 m -71.23 -57.4 4.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 110.411 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.723 ' CD2' HG23 ' A' ' 95' ' ' ILE . 4.8 m170 78.47 88.7 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.564 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.603 ' CZ ' HG21 ' A' ' 100' ' ' THR . 51.2 m-85 -98.16 115.32 28.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 111.016 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -79.57 125.09 29.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.989 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.426 HG22 ' N ' ' A' ' 105' ' ' GLN . 74.6 mt -133.2 161.92 40.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.113 . . . . 0.0 109.27 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.569 ' HB3' ' HB3' ' A' ' 25' ' ' ALA . 40.6 tt0 -122.31 150.12 42.8 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.514 1.134 . . . . 0.0 110.314 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.571 ' HB1' ' HB3' ' A' ' 111' ' ' GLU . . . -101.65 162.44 12.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 35.3 t -67.43 -44.25 79.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 109.992 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 11.2 p -132.14 167.24 20.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.006 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -56.55 -34.85 67.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -76.11 -50.25 15.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.571 ' HB3' ' HB1' ' A' ' 106' ' ' ALA . 0.7 OUTLIER -42.4 -36.31 1.26 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.316 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 8.1 ttp180 -61.29 -70.82 0.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 110.259 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -43.9 -41.56 5.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -63.68 -57.45 10.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 110.309 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' TRP . . . . . 0.548 ' CZ3' ' HB2' ' A' ' 41' ' ' LEU . 41.6 m95 -53.29 -35.06 59.7 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.663 HD11 ' HB3' ' A' ' 92' ' ' PHE . 82.8 mt -70.56 -76.43 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 116' ' ' ILE . 2.7 tt0 -33.95 -45.79 0.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.335 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.558 ' HB1' ' CD1' ' A' ' 41' ' ' LEU . . . -52.15 -68.06 0.2 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.495 1.122 . . . . 0.0 109.347 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.526 HD12 ' O ' ' A' ' 115' ' ' TRP . 13.4 mt -41.72 -58.03 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.488 ' HG2' ' CG1' ' A' ' 71' ' ' VAL . 17.2 mttt -40.76 -52.84 2.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.339 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 17.9 mttt -43.89 -60.04 2.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 109.268 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.858 HD12 ' HB2' ' A' ' 46' ' ' ALA . 2.2 mm? -51.11 -55.24 18.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . 0.71 HG22 ' O ' ' A' ' 66' ' ' LEU . 69.8 p . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 110.42 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.724 HG13 ' H ' ' A' ' 13' ' ' GLU . 2.6 p . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.724 ' H ' HG13 ' A' ' 12' ' ' VAL . 2.3 mm-40 -65.98 -42.98 89.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 110.315 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.584 HD21 ' CD2' ' A' ' 49' ' ' HIS . 0.6 OUTLIER -87.82 12.03 14.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.301 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.421 ' O ' ' CD ' ' A' ' 45' ' ' PRO . 0.3 OUTLIER -101.8 62.2 0.9 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 110.056 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -136.71 161.58 25.08 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.515 1.134 . . . . 0.0 110.983 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.425 ' O ' ' N ' ' A' ' 43' ' ' LYS . 3.1 m -67.41 125.98 27.84 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.513 0.772 . . . . 0.0 110.397 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.512 HG13 ' HG3' ' A' ' 21' ' ' GLN . 2.1 t -64.38 123.06 16.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.589 HG13 ' HE2' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -110.32 -28.26 2.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.519 ' HG2' ' CD2' ' A' ' 115' ' ' TRP . 5.2 tptt -156.33 142.02 17.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.346 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.512 ' HG3' HG13 ' A' ' 18' ' ' VAL . 24.8 mt-30 -148.06 150.63 34.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.277 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 158.63 -161.4 31.77 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.473 1.108 . . . . 0.0 110.996 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.47 ' CE2' ' HB2' ' A' ' 38' ' ' ARG . 61.5 m-85 -121.04 121.39 37.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 0.761 . . . . 0.0 110.998 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.621 HD21 ' CD1' ' A' ' 115' ' ' TRP . 41.0 mt -112.59 169.36 8.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.56 1.162 . . . . 0.0 109.263 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.844 ' HB3' ' HB3' ' A' ' 105' ' ' GLN . . . -121.14 104.52 9.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 109.286 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 9.6 tttt -92.46 135.8 33.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.295 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.297 179.999 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.947 ' CH2' HD22 ' A' ' 91' ' ' LEU . 11.7 m95 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.4 ' O ' ' HA ' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -113.66 133.63 55.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.095 . . . . 0.0 109.285 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.6 t -80.89 128.28 38.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.432 1.082 . . . . 0.0 109.271 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.1 ttp180 -136.14 139.39 42.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 110.27 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.47 ' HB2' ' CE2' ' A' ' 23' ' ' TYR . 1.7 ttp85 -74.18 104.41 4.96 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.509 1.131 . . . . 0.0 110.317 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.573 ' CD1' ' HB2' ' A' ' 24' ' ' LEU . 8.7 m-85 -95.77 143.25 27.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.967 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.953 ' O ' HD12 ' A' ' 48' ' ' LEU . 10.3 p -126.52 135.79 62.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.108 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.756 ' HG ' HD13 ' A' ' 48' ' ' LEU . 0.5 OUTLIER -114.29 124.03 50.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.137 . . . . 0.0 109.34 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.441 ' NH1' ' CG2' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -128.27 164.67 22.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 110.291 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.589 ' HE2' HG13 ' A' ' 19' ' ' VAL . 2.0 pttt -137.96 141.06 40.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.469 ' N ' ' O ' ' A' ' 45' ' ' PRO . 9.1 t70 52.97 78.46 0.39 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.322 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.469 ' O ' ' N ' ' A' ' 44' ' ' ASP . 18.2 Cg_endo -75.04 173.13 59.52 Favored 'Cis proline' 0 C--N 1.359 1.129 0 C-N-CA 120.991 -2.504 . . . . 0.0 110.953 0.043 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 1.01 ' CB ' HD12 ' A' ' 122' ' ' LEU . . . -101.04 99.81 10.32 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.411 1.069 . . . . 0.0 109.326 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.585 ' CE2' ' CD ' ' A' ' 13' ' ' GLU . 8.6 m-85 -149.17 152.0 35.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.132 . . . . 0.0 111.004 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.953 HD12 ' O ' ' A' ' 40' ' ' VAL . 10.5 tp -127.27 114.06 17.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.247 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.584 ' CD2' HD21 ' A' ' 14' ' ' LEU . 58.4 m80 -115.63 164.2 14.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.584 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.629 ' C ' ' CD1' ' A' ' 51' ' ' TYR . 1.5 p90 -137.45 175.67 9.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.951 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.629 ' CD1' ' C ' ' A' ' 50' ' ' TYR . 26.4 m-85 -155.53 135.48 12.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 110.949 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -77.57 123.23 86.7 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.161 0 O-C-N 124.549 1.815 . . . . 0.0 111.004 179.989 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 5.7 mtp180 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.624 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 18.2 Cg_endo -74.98 157.45 42.84 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.507 1.793 . . . . 0.0 111.005 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.6 HG23 ' HA ' ' A' ' 51' ' ' TYR . 2.1 t -72.05 -27.19 26.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -165.48 -118.32 0.43 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.534 1.146 . . . . 0.0 111.035 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.463 ' HA3' ' CD2' ' A' ' 49' ' ' HIS . . . 124.69 122.53 2.65 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.707 ' CZ ' HD23 ' A' ' 48' ' ' LEU . 4.7 p90 -115.65 153.12 31.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 0.779 . . . . 0.0 110.968 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.2 p -64.4 158.34 23.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.001 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.507 HD11 ' HB2' ' A' ' 48' ' ' LEU . 88.3 mt -115.93 -43.73 2.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.357 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -38.81 -59.12 0.99 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.267 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -96.68 54.92 1.42 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.485 1.115 . . . . 0.0 111.008 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.8 m -141.4 -178.12 5.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 0.783 . . . . 0.0 109.965 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.407 ' O ' ' N ' ' A' ' 95' ' ' ILE . 25.1 tp -154.53 152.24 29.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.513 ' CG1' ' CG ' ' A' ' 120' ' ' LYS . 11.5 p -130.89 150.02 34.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 18.4 m -163.67 160.26 22.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 109.971 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -96.26 157.5 15.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.754 HD12 ' HB2' ' A' ' 91' ' ' LEU . 1.1 mt . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.947 HD22 ' CH2' ' A' ' 34' ' ' TRP . 2.0 mp . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.586 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 28.9 p90 -139.86 159.98 40.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 111.0 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.429 ' HG2' ' CD2' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -126.84 164.93 20.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 53.8 t -125.38 105.74 15.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.263 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.693 HG23 ' CD2' ' A' ' 101' ' ' HIS . 54.9 mt -84.56 104.98 13.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 82.5 p -76.72 -162.07 0.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 110.416 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.87 -19.77 47.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.418 ' O ' ' C ' ' A' ' 99' ' ' ASP . 21.9 t70 -99.77 24.06 8.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.418 ' C ' ' O ' ' A' ' 98' ' ' ASP . 27.2 m-20 38.9 46.33 1.07 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.419 HG21 ' CZ ' ' A' ' 102' ' ' TYR . 20.9 m -75.52 -55.34 5.77 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.502 1.127 . . . . 0.0 110.386 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.693 ' CD2' HG23 ' A' ' 95' ' ' ILE . 6.5 m170 78.19 91.02 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.634 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.419 ' CZ ' HG21 ' A' ' 100' ' ' THR . 47.9 m-85 -98.14 106.52 18.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 -76.63 130.01 37.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 111.023 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.586 ' HB ' ' CZ ' ' A' ' 92' ' ' PHE . 20.8 mt -134.29 167.55 25.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.844 ' HB3' ' HB3' ' A' ' 25' ' ' ALA . 5.0 tt0 -123.03 147.09 47.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.266 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.651 ' HB3' ' HG3' ' A' ' 112' ' ' ARG . . . -105.86 155.4 19.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.359 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 29.2 m -61.19 -52.7 63.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 109.986 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 15.4 m -129.93 171.82 12.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.013 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.17 -49.18 69.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.21 -51.28 69.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.32 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.417 ' HG3' ' CD1' ' A' ' 115' ' ' TRP . 0.2 OUTLIER -46.07 -38.02 7.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 110.298 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.651 ' HG3' ' HB3' ' A' ' 106' ' ' ALA . 0.3 OUTLIER -62.15 -76.81 0.05 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.106 . . . . 0.0 110.293 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 112' ' ' ARG . . . -39.56 -36.27 0.38 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 109.361 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -69.8 -54.89 11.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 110.322 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' TRP . . . . . 0.621 ' CD1' HD21 ' A' ' 24' ' ' LEU . 45.3 m95 -56.83 -23.72 45.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 107.96 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.562 HD11 ' HB3' ' A' ' 92' ' ' PHE . 96.4 mt -83.79 -75.77 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 109.279 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 116' ' ' ILE . 2.1 tt0 -37.25 -38.98 0.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.563 1.164 . . . . 0.0 110.315 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.526 ' HB1' HD13 ' A' ' 41' ' ' LEU . . . -55.24 -64.01 0.98 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 109.296 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.604 HD12 ' O ' ' A' ' 115' ' ' TRP . 13.8 mt -46.59 -53.04 3.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.513 ' CG ' ' CG1' ' A' ' 71' ' ' VAL . 23.3 mttt -44.8 -45.24 9.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 15.6 mttt -51.9 -56.03 16.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 1.01 HD12 ' CB ' ' A' ' 46' ' ' ALA . 2.9 mm? -55.21 -54.92 37.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . 0.512 HG23 ' O ' ' A' ' 119' ' ' ILE . 50.4 p . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 110.426 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.791 HG13 ' H ' ' A' ' 13' ' ' GLU . 2.0 p . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.791 ' H ' HG13 ' A' ' 12' ' ' VAL . 43.3 mt-10 -57.4 -46.7 83.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.237 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.926 HD11 ' CG ' ' A' ' 49' ' ' HIS . 1.9 mm? -83.86 6.72 20.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.08 62.46 0.97 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.997 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.403 ' HA2' ' O ' ' A' ' 44' ' ' ASP . . . -141.76 166.25 26.28 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.463 1.102 . . . . 0.0 111.017 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.467 ' CB ' ' HD3' ' A' ' 43' ' ' LYS . 4.8 m -70.12 142.03 52.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 0.793 . . . . 0.0 110.402 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.437 HG13 ' HG3' ' A' ' 21' ' ' GLN . 2.2 t -76.68 125.65 36.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.731 HG13 ' HD2' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -108.27 -36.59 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.282 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.565 ' HG2' ' CD2' ' A' ' 115' ' ' TRP . 3.4 tptt -155.18 140.53 17.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.655 ' OE1' HG23 ' A' ' 40' ' ' VAL . 19.4 mt-30 -144.6 144.37 31.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 110.295 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 167.18 -166.63 39.35 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.5 1.125 . . . . 0.0 110.993 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.573 ' CE2' ' HB2' ' A' ' 38' ' ' ARG . 48.4 m-85 -118.48 121.55 40.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 0.785 . . . . 0.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.55 HD21 ' CD1' ' A' ' 115' ' ' TRP . 15.2 mt -114.39 173.78 6.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.262 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -120.16 109.62 15.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.097 . . . . 0.0 109.303 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.4 tttt -88.04 138.03 31.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 110.301 -179.968 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 26.0 m95 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.87 128.26 43.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.268 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.5 t -73.94 118.06 18.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.639 ' HD3' HG21 ' A' ' 61' ' ' VAL . 3.8 mtm-85 -126.22 152.54 45.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.443 1.089 . . . . 0.0 110.305 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.573 ' HB2' ' CE2' ' A' ' 23' ' ' TYR . 0.8 OUTLIER -86.75 103.93 15.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 110.324 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -97.11 136.28 37.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.968 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.731 ' O ' HD12 ' A' ' 48' ' ' LEU . 10.6 p -120.58 137.43 54.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.63 ' HG ' HD13 ' A' ' 48' ' ' LEU . 0.6 OUTLIER -113.46 113.64 25.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 109.277 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.441 ' NH1' ' O ' ' A' ' 14' ' ' LEU . 1.6 mtp180 -120.22 146.65 45.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 110.301 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.731 ' HD2' HG13 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -119.69 159.84 23.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.137 . . . . 0.0 109.334 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.451 ' HA ' ' HA ' ' A' ' 45' ' ' PRO . 1.1 m-20 37.95 80.01 0.29 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.496 ' HB2' ' CD1' ' A' ' 47' ' ' PHE . 18.2 Cg_endo -74.98 164.49 88.27 Favored 'Cis proline' 0 C--N 1.36 1.148 0 C-N-CA 120.987 -2.505 . . . . 0.0 110.968 0.011 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.443 ' HB1' ' HB3' ' A' ' 122' ' ' LEU . . . -89.48 97.87 11.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 109.316 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.496 ' CD1' ' HB2' ' A' ' 45' ' ' PRO . 28.3 m-85 -141.98 174.8 10.26 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 0.0 110.975 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.731 HD12 ' O ' ' A' ' 40' ' ' VAL . 10.1 tp -149.4 113.59 5.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.266 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.926 ' CG ' HD11 ' A' ' 14' ' ' LEU . 39.7 m80 -119.81 159.77 23.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.577 1.173 . . . . 0.0 109.601 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.434 ' O ' HG23 ' A' ' 61' ' ' VAL . 25.0 p90 -140.61 141.89 35.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.943 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.63 ' HA ' HG23 ' A' ' 61' ' ' VAL . 30.7 m-85 -114.3 156.38 24.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 110.998 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.564 ' N ' ' CG2' ' A' ' 61' ' ' VAL . 2.3 p30 -95.55 129.65 34.18 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.349 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.15 0 O-C-N 124.523 1.801 . . . . 0.0 110.969 -179.978 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.275 -0.268 . . . . 0.0 110.275 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.603 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 18.2 Cg_endo -74.98 174.67 12.38 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.507 1.793 . . . . 0.0 111.007 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.639 HG21 ' HD3' ' A' ' 37' ' ' ARG . 0.4 OUTLIER -86.33 -13.66 10.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.326 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.427 ' HA3' ' CZ ' ' A' ' 50' ' ' TYR . . . -170.85 -125.72 0.83 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.513 1.133 . . . . 0.0 110.976 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.528 ' HA3' ' CD2' ' A' ' 49' ' ' HIS . . . 120.12 130.59 3.99 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.676 ' CE2' HD23 ' A' ' 48' ' ' LEU . 8.8 p90 -133.15 148.15 52.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 0.787 . . . . 0.0 111.007 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 91.1 p -63.84 153.86 35.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.993 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.608 ' O ' HG22 ' A' ' 123' ' ' THR . 12.9 mt -108.66 -27.09 10.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.15 -54.59 1.75 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 110.307 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -107.32 44.79 1.41 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.485 1.116 . . . . 0.0 111.01 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.416 ' OG ' ' HA ' ' A' ' 66' ' ' LEU . 17.1 p -120.21 -177.99 3.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 0.77 . . . . 0.0 109.99 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 95' ' ' ILE . 29.5 tp -154.44 151.31 28.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.573 ' CG1' ' HG3' ' A' ' 120' ' ' LYS . 3.4 p -133.87 141.33 44.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.441 1.088 . . . . 0.0 109.309 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 18.6 m -150.7 160.35 43.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.986 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -98.34 158.02 15.83 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.103 . . . . 0.0 109.272 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.878 HD12 ' HB2' ' A' ' 91' ' ' LEU . 4.9 mt . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.251 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.878 ' HB2' HD12 ' A' ' 74' ' ' LEU . 1.2 mp . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.5 ' HB3' HD11 ' A' ' 116' ' ' ILE . 2.9 p90 -163.41 155.25 17.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 111.057 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.433 ' NZ ' HD11 ' A' ' 95' ' ' ILE . 0.4 OUTLIER -121.73 165.97 15.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 84.3 t -127.02 102.21 9.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.903 HG23 ' CD2' ' A' ' 101' ' ' HIS . 58.8 mt -88.21 116.22 29.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 14.4 p -88.22 -170.96 3.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 110.36 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.99 -14.56 62.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -97.48 16.15 21.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.26 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.614 ' C ' ' CD2' ' A' ' 101' ' ' HIS . 0.2 OUTLIER 43.49 31.56 0.44 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.35 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.441 HG21 ' CZ ' ' A' ' 102' ' ' TYR . 25.5 m -62.92 -55.82 22.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 110.392 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.903 ' CD2' HG23 ' A' ' 95' ' ' ILE . 4.6 m170 79.28 94.85 0.06 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.118 . . . . 0.0 109.594 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.441 ' CZ ' HG21 ' A' ' 100' ' ' THR . 60.1 m-85 -101.92 110.16 22.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 110.952 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -78.1 129.48 35.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.989 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.512 HG22 ' N ' ' A' ' 105' ' ' GLN . 57.2 mt -137.15 166.91 24.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.333 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.726 ' OE1' HD23 ' A' ' 91' ' ' LEU . 8.2 tp60 -128.87 151.53 49.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.318 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.624 ' HB1' ' HB3' ' A' ' 111' ' ' GLU . . . -107.0 163.17 13.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.261 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 34.5 t -65.41 -44.02 88.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.022 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -138.65 169.91 16.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.953 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.31 -38.9 66.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -70.73 -52.6 19.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.289 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.624 ' HB3' ' HB1' ' A' ' 106' ' ' ALA . 0.6 OUTLIER -42.05 -38.14 1.57 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 110.305 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.463 ' HG2' HD12 ' A' ' 116' ' ' ILE . 0.0 OUTLIER -64.32 -69.37 0.29 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 110.276 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 112' ' ' ARG . . . -38.93 -45.57 1.2 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 109.328 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -61.67 -57.48 11.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 110.312 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' TRP . . . . . 0.565 ' CD2' ' HG2' ' A' ' 20' ' ' LYS . 48.6 m95 -54.35 -33.51 59.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 107.954 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.5 HD11 ' HB3' ' A' ' 92' ' ' PHE . 62.4 mt -74.14 -76.37 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 116' ' ' ILE . 2.9 tt0 -34.96 -42.43 0.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.261 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.51 ' HB1' HD13 ' A' ' 41' ' ' LEU . . . -56.4 -66.41 0.44 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.418 ' O ' ' C ' ' A' ' 120' ' ' LYS . 80.0 mt -40.79 -59.98 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.573 ' HG3' ' CG1' ' A' ' 71' ' ' VAL . 0.2 OUTLIER -39.37 -51.37 2.08 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.261 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 12.4 mttt -45.77 -60.05 2.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.336 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.508 HD23 HD13 ' A' ' 66' ' ' LEU . 0.3 OUTLIER -48.36 -56.88 6.97 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . 0.608 HG22 ' O ' ' A' ' 66' ' ' LEU . 17.8 p . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.382 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.711 HG13 ' H ' ' A' ' 13' ' ' GLU . 2.7 p . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.711 ' H ' HG13 ' A' ' 12' ' ' VAL . 76.8 mt-10 -57.2 -48.7 78.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 110.267 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.528 HD22 ' H ' ' A' ' 14' ' ' LEU . 0.7 OUTLIER -82.51 3.79 26.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.337 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -104.62 69.15 0.88 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 110.015 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -141.14 157.81 26.15 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.473 1.108 . . . . 0.0 111.015 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.3 m -68.02 115.8 7.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 0.774 . . . . 0.0 110.383 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.44 HG13 ' HG3' ' A' ' 21' ' ' GLN . 2.2 t -53.44 124.37 5.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.701 HG13 ' HE2' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -110.14 -30.48 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.349 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.544 ' HG2' ' CD2' ' A' ' 115' ' ' TRP . 3.3 tptt -154.87 143.48 20.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.772 ' NE2' HG23 ' A' ' 40' ' ' VAL . 10.9 mt-30 -146.72 149.85 34.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 0.0 110.316 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 160.17 -174.26 36.9 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.517 1.136 . . . . 0.0 111.036 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.563 ' CE2' ' HB2' ' A' ' 38' ' ' ARG . 76.9 m-85 -112.59 120.65 42.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 0.8 . . . . 0.0 111.013 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.774 HD22 ' O ' ' A' ' 105' ' ' GLN . 26.0 mt -115.43 167.63 10.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -113.66 105.67 13.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 18.3 tttt -85.36 130.69 34.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.511 ' HB2' ' CE2' ' A' ' 34' ' ' TRP . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.133 . . . . 0.0 110.294 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.511 ' CE2' ' HB2' ' A' ' 27' ' ' GLN . 64.7 m95 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.28 122.5 28.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.3 t -60.64 136.69 24.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.562 1.164 . . . . 0.0 109.29 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.34 147.5 31.4 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 110.289 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.563 ' HB2' ' CE2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -80.76 102.89 10.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 0.0 110.263 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.489 ' CD1' ' HB2' ' A' ' 24' ' ' LEU . 15.7 m-85 -96.86 131.66 43.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.105 . . . . 0.0 111.018 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.869 ' O ' HD12 ' A' ' 48' ' ' LEU . 14.0 p -117.21 143.26 28.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.807 ' HG ' HD13 ' A' ' 48' ' ' LEU . 0.7 OUTLIER -117.63 144.6 45.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 76.9 mtt85 -139.76 164.48 29.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 0.0 110.305 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.701 ' HE2' HG13 ' A' ' 19' ' ' VAL . 3.0 pttt -141.35 143.18 33.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.459 ' N ' ' C ' ' A' ' 45' ' ' PRO . 8.7 t70 43.52 79.33 0.34 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.459 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.2 Cg_endo -74.96 169.79 73.57 Favored 'Cis proline' 0 C--N 1.36 1.165 0 C-N-CA 121.014 -2.494 . . . . 0.0 110.963 -0.037 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.454 ' HB1' ' HB3' ' A' ' 122' ' ' LEU . . . -97.9 108.5 21.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 0.0 109.309 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.517 ' CZ ' ' HG2' ' A' ' 13' ' ' GLU . 19.8 m-85 -150.06 167.91 25.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 111.022 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.869 HD12 ' O ' ' A' ' 40' ' ' VAL . 7.5 tp -148.91 113.66 5.38 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.636 ' O ' HG12 ' A' ' 40' ' ' VAL . 68.1 m80 -121.02 159.59 25.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.092 . . . . 0.0 109.624 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.459 ' HB3' ' CD2' ' A' ' 39' ' ' PHE . 32.0 p90 -142.78 142.82 31.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 110.987 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.941 ' HA ' HG23 ' A' ' 61' ' ' VAL . 16.4 m-85 -118.0 156.27 28.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.133 . . . . 0.0 110.985 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -85.68 122.99 73.09 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.213 0 O-C-N 124.428 1.752 . . . . 0.0 111.011 179.972 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.623 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 18.5 Cg_endo -74.95 167.5 26.91 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.543 1.812 . . . . 0.0 111.02 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.941 HG23 ' HA ' ' A' ' 51' ' ' TYR . 4.9 t -84.39 -30.89 7.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -155.8 -117.42 0.57 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.484 1.115 . . . . 0.0 110.984 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.447 ' HA3' ' CD2' ' A' ' 49' ' ' HIS . . . 100.95 129.17 6.6 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.756 ' CZ ' HD23 ' A' ' 48' ' ' LEU . 9.8 p90 -122.18 149.52 43.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 0.779 . . . . 0.0 111.017 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 11.0 p -74.47 131.39 40.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.018 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 68' ' ' GLY . 80.2 mt -71.11 -44.7 65.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 109.263 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 11.8 mmt180 -40.28 95.93 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.545 1.153 . . . . 0.0 110.272 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 66' ' ' LEU . . . 96.2 38.3 4.6 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.462 1.101 . . . . 0.0 110.998 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 66' ' ' LEU . 8.8 m -122.91 -179.18 4.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.437 0.728 . . . . 0.0 109.95 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.996 HD13 ' N ' ' A' ' 71' ' ' VAL . 3.0 tm? -156.24 157.14 35.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.324 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.996 ' N ' HD13 ' A' ' 70' ' ' LEU . 3.0 p -142.07 141.57 28.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.1 m -148.74 163.52 37.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.985 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -95.85 153.81 17.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 109.329 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.841 HD12 ' HB2' ' A' ' 91' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.841 ' HB2' HD12 ' A' ' 74' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.667 ' HB3' HD11 ' A' ' 116' ' ' ILE . 36.9 p90 -147.37 177.28 9.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 110.975 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.42 ' HG2' ' CD2' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -143.28 163.94 31.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 55.2 t -122.0 118.22 54.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.137 . . . . 0.0 109.293 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.584 HG23 ' CD2' ' A' ' 101' ' ' HIS . 61.1 mt -99.94 101.13 11.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 18.0 p -73.55 -168.72 0.59 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.389 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.48 -9.8 58.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.335 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -101.88 13.78 33.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.269 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.461 ' C ' ' CD2' ' A' ' 101' ' ' HIS . 5.5 m-20 42.8 43.11 3.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 16.2 m -73.58 -52.62 12.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.377 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.584 ' CD2' HG23 ' A' ' 95' ' ' ILE . 3.6 m170 79.68 83.71 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.559 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -89.86 112.49 23.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.982 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 -79.11 118.81 21.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.997 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.435 HG22 ' N ' ' A' ' 105' ' ' GLN . 70.2 mt -125.22 162.24 28.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 109.271 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.774 ' O ' HD22 ' A' ' 24' ' ' LEU . 5.9 tt0 -120.15 155.07 33.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 110.336 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.471 ' HA ' HD22 ' A' ' 24' ' ' LEU . . . -111.26 154.04 25.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.252 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.7 t -67.23 -52.25 43.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.45 1.093 . . . . 0.0 109.993 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.16 168.44 17.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.017 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -47.76 -55.53 9.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -54.79 -54.91 35.96 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.498 ' HG3' ' CD1' ' A' ' 115' ' ' TRP . 0.8 OUTLIER -43.44 -37.9 2.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 110.333 179.94 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.453 ' HA ' ' HB2' ' A' ' 106' ' ' ALA . 0.0 OUTLIER -56.46 -73.08 0.07 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 110.299 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.491 ' O ' ' N ' ' A' ' 117' ' ' GLU . . . -48.45 -48.96 37.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.441 ' OE1' ' NZ ' ' A' ' 20' ' ' LYS . 3.0 mt-10 -47.22 -67.39 0.28 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 110.307 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' TRP . . . . . 0.544 ' CD2' ' HG2' ' A' ' 20' ' ' LYS . 72.6 m95 -49.22 -45.51 44.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 107.999 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.667 HD11 ' HB3' ' A' ' 92' ' ' PHE . 14.2 mt -57.65 -78.42 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 113' ' ' ALA . 0.8 OUTLIER -38.32 -45.98 1.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 110.283 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.401 ' HB1' HD13 ' A' ' 41' ' ' LEU . . . -48.55 -54.26 15.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.602 ' O ' HG23 ' A' ' 123' ' ' THR . 6.1 mt -53.89 -54.7 18.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.751 ' HD2' HG13 ' A' ' 71' ' ' VAL . 0.0 OUTLIER -51.68 -51.36 56.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.338 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 21.5 mttt -40.31 -60.29 1.12 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.328 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.454 ' HB3' ' HB1' ' A' ' 46' ' ' ALA . 0.7 OUTLIER -52.13 -55.38 21.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 109.317 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . 0.602 HG23 ' O ' ' A' ' 119' ' ' ILE . 24.2 p . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.392 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.735 HG13 ' H ' ' A' ' 13' ' ' GLU . 2.4 p . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.735 ' H ' HG13 ' A' ' 12' ' ' VAL . 73.2 mt-10 -57.01 -47.44 80.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 110.326 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.653 HD21 ' CD2' ' A' ' 49' ' ' HIS . 0.7 OUTLIER -82.03 -11.24 58.92 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -84.75 49.29 1.68 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.554 1.159 . . . . 0.0 110.026 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -121.71 156.3 16.58 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.499 1.124 . . . . 0.0 110.94 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.3 m -69.24 125.02 25.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 0.761 . . . . 0.0 110.418 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.538 HG13 ' HG3' ' A' ' 21' ' ' GLN . 2.3 t -61.12 121.91 10.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.638 HG13 ' HE2' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -110.31 -31.74 2.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.528 ' HG2' ' CE3' ' A' ' 115' ' ' TRP . 3.1 tptt -151.23 140.47 21.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.359 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.538 ' HG3' HG13 ' A' ' 18' ' ' VAL . 24.4 mt-30 -145.3 151.37 38.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.299 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 157.03 -169.44 34.17 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.523 1.139 . . . . 0.0 110.996 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.483 ' O ' HD23 ' A' ' 24' ' ' LEU . 79.9 m-85 -112.22 134.2 53.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 0.787 . . . . 0.0 111.009 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.597 HD11 ' CD2' ' A' ' 115' ' ' TRP . 25.6 mt -134.63 167.52 20.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.133 . . . . 0.0 109.271 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.502 ' HB3' ' HB3' ' A' ' 105' ' ' GLN . . . -109.07 138.38 45.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.345 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 13.0 tttt -107.59 106.76 17.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.095 . . . . 0.0 109.318 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.508 ' HA ' ' CG ' ' A' ' 34' ' ' TRP . 14.1 tt0 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.277 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.614 ' N ' ' CD1' ' A' ' 34' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.421 ' O ' ' HA ' ' A' ' 25' ' ' ALA . 0.5 OUTLIER -104.4 161.47 14.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.113 . . . . 0.0 109.337 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.0 t -100.16 142.64 15.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.467 1.104 . . . . 0.0 109.268 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -143.77 155.34 44.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.313 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.42 ' O ' ' HA ' ' A' ' 50' ' ' TYR . 10.9 ttp85 -84.38 105.03 14.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 110.246 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.526 ' CD1' ' HB2' ' A' ' 24' ' ' LEU . 25.6 m-85 -97.14 136.56 37.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 111.016 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.886 ' O ' HD12 ' A' ' 48' ' ' LEU . 11.8 p -121.6 139.52 48.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.698 ' HG ' HD13 ' A' ' 48' ' ' LEU . 0.3 OUTLIER -114.44 134.89 54.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.447 ' NH1' ' O ' ' A' ' 14' ' ' LEU . 88.8 mtt-85 -132.2 161.51 33.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.318 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.638 ' HE2' HG13 ' A' ' 19' ' ' VAL . 2.7 pttt -136.79 141.09 42.92 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.475 ' N ' ' O ' ' A' ' 45' ' ' PRO . 2.4 m-20 49.42 80.02 0.32 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.491 ' CG ' ' O ' ' A' ' 12' ' ' VAL . 18.2 Cg_endo -74.98 174.23 53.75 Favored 'Cis proline' 0 C--N 1.36 1.144 0 C-N-CA 121.012 -2.495 . . . . 0.0 110.978 -0.029 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.984 ' HB1' ' HB3' ' A' ' 122' ' ' LEU . . . -99.9 105.97 17.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.081 . . . . 0.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.431 ' CZ ' ' HG2' ' A' ' 13' ' ' GLU . 37.3 m-85 -150.42 168.89 22.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 110.999 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.886 HD12 ' O ' ' A' ' 40' ' ' VAL . 12.9 tp -143.7 114.43 7.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 109.305 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.653 ' CD2' HD21 ' A' ' 14' ' ' LEU . 59.3 m80 -116.24 164.19 14.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 109.547 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.42 ' HA ' ' O ' ' A' ' 38' ' ' ARG . 38.5 p90 -148.03 144.52 27.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 111.016 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.919 ' HA ' HG23 ' A' ' 61' ' ' VAL . 8.5 m-85 -118.65 155.38 31.1 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 110.984 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -83.61 120.67 75.69 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 109.298 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.161 0 O-C-N 124.505 1.792 . . . . 0.0 110.96 -179.975 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.313 -0.254 . . . . 0.0 110.313 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.62 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 18.1 Cg_endo -74.99 169.16 23.24 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.511 1.795 . . . . 0.0 110.968 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.919 HG23 ' HA ' ' A' ' 51' ' ' TYR . 4.5 t -89.45 -30.63 5.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.128 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -154.58 -116.34 0.58 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.458 1.099 . . . . 0.0 111.015 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.503 ' HA3' ' CD2' ' A' ' 49' ' ' HIS . . . 107.02 131.51 6.73 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.832 ' CZ ' HD23 ' A' ' 48' ' ' LEU . 1.4 p90 -126.44 156.5 40.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 0.768 . . . . 0.0 110.991 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.3 t -69.46 150.09 47.58 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.501 1.126 . . . . 0.0 110.006 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.725 ' O ' HG22 ' A' ' 123' ' ' THR . 77.8 mt -104.38 -37.64 7.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 66' ' ' LEU . 1.1 mmt180 -37.63 -57.24 0.98 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 110.263 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -101.77 50.67 0.96 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.512 1.133 . . . . 0.0 111.0 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 24.3 p -130.52 -178.24 4.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 0.765 . . . . 0.0 110.013 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 1.032 HD13 ' N ' ' A' ' 71' ' ' VAL . 3.1 tm? -152.69 153.37 33.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.345 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 1.032 ' N ' HD13 ' A' ' 70' ' ' LEU . 7.3 p -138.85 140.19 39.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.7 p -144.65 171.56 14.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 110.02 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -111.66 156.27 22.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.554 HD12 ' HB2' ' A' ' 91' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.554 ' HB2' HD12 ' A' ' 74' ' ' LEU . 4.7 mt . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.573 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 32.0 p90 -164.54 151.99 11.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 111.007 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.74 ' NZ ' HD11 ' A' ' 95' ' ' ILE . 0.0 OUTLIER -109.8 160.7 16.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.497 HG13 ' O ' ' A' ' 70' ' ' LEU . 96.2 t -135.6 105.28 5.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.74 HD11 ' NZ ' ' A' ' 93' ' ' LYS . 11.9 mt -86.9 116.29 29.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 31.5 p -92.45 172.99 8.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.428 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -56.93 -17.33 9.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.66 19.12 3.56 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 47.21 33.48 2.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 66.8 m -104.2 118.82 37.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.566 1.166 . . . . 0.0 110.368 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.584 ' CD2' HG23 ' A' ' 95' ' ' ILE . 13.8 m170 -85.85 100.61 12.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.613 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -90.91 100.1 13.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 110.962 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -74.71 114.3 12.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 111.03 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.573 ' HB ' ' CZ ' ' A' ' 92' ' ' PHE . 61.8 mt -111.67 160.01 11.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.502 ' HB3' ' HB3' ' A' ' 25' ' ' ALA . 11.8 tt0 -113.58 141.46 47.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.328 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.429 ' HB1' ' HB3' ' A' ' 111' ' ' GLU . . . -105.39 148.8 26.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.56 -45.91 84.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 109.988 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.7 -176.5 4.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 109.992 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 8.8 tmtt? -64.06 -36.78 85.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 111' ' ' GLU . . . -74.2 -53.91 8.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.564 1.165 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.429 ' HB3' ' HB1' ' A' ' 106' ' ' ALA . 0.7 OUTLIER -38.09 -41.12 0.55 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 110.319 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.417 ' HB2' ' CB ' ' A' ' 106' ' ' ALA . 9.8 ttp180 -64.82 -68.9 0.32 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.317 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 112' ' ' ARG . . . -40.31 -40.35 1.14 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 42.2 mm-40 -68.2 -58.85 3.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.278 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' TRP . . . . . 0.597 ' CD2' HD11 ' A' ' 24' ' ' LEU . 52.3 m95 -53.35 -24.34 11.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 107.978 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.457 HG22 ' CE ' ' A' ' 120' ' ' LYS . 39.1 mt -81.63 -77.01 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 116' ' ' ILE . 2.1 tt0 -35.69 -40.82 0.19 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 110.264 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.428 ' O ' ' N ' ' A' ' 121' ' ' LYS . . . -56.51 -68.1 0.24 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.553 HD12 ' O ' ' A' ' 115' ' ' TRP . 27.0 mt -40.81 -59.72 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.659 ' HD2' HG13 ' A' ' 71' ' ' VAL . 0.0 OUTLIER -38.75 -41.73 0.74 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 109.256 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.428 ' N ' ' O ' ' A' ' 118' ' ' ALA . 15.0 mttt -58.84 -58.43 8.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 109.343 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.984 ' HB3' ' HB1' ' A' ' 46' ' ' ALA . 0.3 OUTLIER -51.15 -57.11 9.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.245 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . 0.725 HG22 ' O ' ' A' ' 66' ' ' LEU . 18.4 p . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 110.383 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.737 HG13 ' H ' ' A' ' 13' ' ' GLU . 2.5 p . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.737 ' H ' HG13 ' A' ' 12' ' ' VAL . 40.5 mt-10 -58.62 -46.71 86.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.308 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.732 HD21 ' CD2' ' A' ' 49' ' ' HIS . 0.5 OUTLIER -87.6 5.05 41.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.419 ' HB2' ' CA ' ' A' ' 12' ' ' VAL . 0.1 OUTLIER -90.66 -14.22 32.71 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.501 1.126 . . . . 0.0 109.966 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -57.6 155.87 18.22 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.522 1.139 . . . . 0.0 110.975 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.9 m -68.19 126.24 28.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 0.778 . . . . 0.0 110.423 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.497 HG13 ' HG3' ' A' ' 21' ' ' GLN . 2.2 t -60.9 121.24 8.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 109.302 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.518 HG13 ' HE2' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -110.81 -31.11 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.52 ' HG2' ' CD2' ' A' ' 115' ' ' TRP . 4.4 tptt -151.56 143.1 23.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 109.334 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.502 ' HG2' HG23 ' A' ' 40' ' ' VAL . 27.3 mt-30 -150.98 153.57 35.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 110.301 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 156.54 -158.18 28.52 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.53 1.144 . . . . 0.0 111.014 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.465 ' CE2' ' HB2' ' A' ' 38' ' ' ARG . 31.4 m-85 -122.89 124.87 44.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 0.783 . . . . 0.0 110.995 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.656 HD21 ' CD1' ' A' ' 115' ' ' TRP . 26.7 mt -116.83 169.09 9.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.903 ' HB3' ' HB3' ' A' ' 105' ' ' GLN . . . -114.86 109.88 18.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.1 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 73.3 tttt -96.63 110.51 22.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.267 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.282 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 39.7 m95 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.82 133.93 55.5 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.431 ' O ' ' NH1' ' A' ' 37' ' ' ARG . 2.1 t -69.95 143.56 14.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.448 ' HB2' ' NH1' ' A' ' 37' ' ' ARG . 0.2 OUTLIER -146.64 133.93 20.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.275 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.465 ' HB2' ' CE2' ' A' ' 23' ' ' TYR . 10.8 ttp180 -75.25 103.94 5.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 110.311 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.465 ' CD1' ' HB2' ' A' ' 24' ' ' LEU . 12.9 m-85 -96.71 150.87 20.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.729 ' O ' HD12 ' A' ' 48' ' ' LEU . 14.6 p -135.95 132.78 50.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.342 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.701 ' HG ' HD13 ' A' ' 48' ' ' LEU . 0.5 OUTLIER -109.92 141.89 42.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.33 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.43 ' CD ' ' HA ' ' A' ' 14' ' ' LEU . 3.2 mtt85 -139.86 166.63 24.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.314 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.518 ' HE2' HG13 ' A' ' 19' ' ' VAL . 0.9 OUTLIER -132.81 145.35 50.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.464 1.102 . . . . 0.0 109.31 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.431 ' HA ' ' HA ' ' A' ' 45' ' ' PRO . 1.9 t0 49.99 97.48 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.675 ' O ' ' HB3' ' A' ' 46' ' ' ALA . 18.3 Cg_endo -74.98 -3.97 19.97 Favored 'Cis proline' 0 C--N 1.361 1.197 0 C-N-CA 121.005 -2.498 . . . . 0.0 111.011 -0.003 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.893 ' HB1' ' HG ' ' A' ' 122' ' ' LEU . . . 82.7 122.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.586 ' CE1' ' OE1' ' A' ' 13' ' ' GLU . 4.5 m-85 -159.98 156.36 26.96 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.479 1.112 . . . . 0.0 110.969 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.729 HD12 ' O ' ' A' ' 40' ' ' VAL . 55.7 tp -124.65 113.7 18.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.147 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.732 ' CD2' HD21 ' A' ' 14' ' ' LEU . 47.8 m80 -123.21 157.02 33.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.633 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.599 ' C ' ' CD1' ' A' ' 51' ' ' TYR . 13.7 p90 -133.08 176.57 8.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 110.978 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.885 ' HA ' HG23 ' A' ' 61' ' ' VAL . 26.8 m-85 -151.49 147.41 26.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 111.015 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -84.69 115.63 61.6 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.121 0 O-C-N 124.537 1.809 . . . . 0.0 110.971 179.995 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.347 -0.242 . . . . 0.0 110.347 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.597 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 18.4 Cg_endo -74.99 159.78 40.98 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.476 1.777 . . . . 0.0 111.012 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.885 HG23 ' HA ' ' A' ' 51' ' ' TYR . 3.5 t -68.25 -32.49 56.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -165.73 -134.48 1.68 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.502 1.126 . . . . 0.0 111.038 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.486 ' HA3' ' CD2' ' A' ' 49' ' ' HIS . . . 137.06 141.07 4.19 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.486 ' CD1' ' N ' ' A' ' 64' ' ' PHE . 2.9 p90 -133.33 155.76 48.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 0.753 . . . . 0.0 111.006 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 98.4 p -70.59 160.81 31.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.568 1.168 . . . . 0.0 110.029 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.858 HD13 HD23 ' A' ' 122' ' ' LEU . 69.7 mt -112.51 -37.16 5.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -37.37 -60.73 0.65 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 110.279 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -96.28 55.85 1.49 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.476 1.11 . . . . 0.0 110.991 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.0 m -143.12 -173.85 4.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 0.755 . . . . 0.0 110.026 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.681 ' O ' HG13 ' A' ' 94' ' ' VAL . 0.8 OUTLIER -152.48 168.46 25.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.267 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.486 ' CG1' ' HG2' ' A' ' 120' ' ' LYS . 10.2 p -152.98 145.03 15.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.2 m -157.78 165.84 34.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 110.06 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -89.44 161.83 16.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.561 HD21 ' HB3' ' A' ' 93' ' ' LYS . 6.5 mt . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.333 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.5 mt . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.455 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 20.6 p90 -172.98 156.24 3.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 110.983 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.627 ' NZ ' HD11 ' A' ' 95' ' ' ILE . 0.0 OUTLIER -120.94 162.22 20.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.681 HG13 ' O ' ' A' ' 70' ' ' LEU . 52.4 t -131.05 108.29 14.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.627 HD11 ' NZ ' ' A' ' 93' ' ' LYS . 14.0 mt -86.36 112.13 22.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 33.8 p -86.2 -179.56 6.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 110.427 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.1 -13.81 40.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -95.6 8.98 41.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 15.8 t70 62.29 21.57 12.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.311 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 87.3 m -84.47 123.17 29.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 110.438 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.573 ' CD2' HG12 ' A' ' 95' ' ' ILE . 21.2 m170 -93.53 108.51 20.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 109.585 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -94.54 102.43 14.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 110.984 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 54.7 m-85 -75.72 116.61 16.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 111.03 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.465 HG22 ' N ' ' A' ' 105' ' ' GLN . 64.7 mt -127.66 164.16 29.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.903 ' HB3' ' HB3' ' A' ' 25' ' ' ALA . 26.4 tt0 -121.5 144.73 48.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.272 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.406 ' HA ' HD22 ' A' ' 24' ' ' LEU . . . -99.99 154.87 18.04 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.444 1.09 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.3 t -58.93 -52.23 66.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.987 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.66 179.22 5.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 109.947 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? -61.45 -42.9 99.48 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -68.43 -51.6 42.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.452 ' HG3' ' CD1' ' A' ' 115' ' ' TRP . 1.0 OUTLIER -42.55 -38.38 1.95 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.296 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.407 ' HG2' ' CD1' ' A' ' 116' ' ' ILE . 35.2 ttp180 -62.69 -70.22 0.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.309 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -44.91 -37.07 3.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 109.29 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -69.04 -54.26 16.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.312 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' TRP . . . . . 0.694 ' O ' HD12 ' A' ' 119' ' ' ILE . 46.8 m95 -57.37 -27.43 62.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 107.993 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.417 ' O ' ' C ' ' A' ' 117' ' ' GLU . 83.1 mt -78.28 -76.35 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 109.263 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 116' ' ' ILE . 2.5 tt0 -36.38 -41.19 0.27 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.453 1.096 . . . . 0.0 110.267 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.453 ' HB1' HD13 ' A' ' 41' ' ' LEU . . . -57.13 -60.28 3.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.694 HD12 ' O ' ' A' ' 115' ' ' TRP . 17.7 mt -53.51 -45.25 58.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.486 ' HG2' ' CG1' ' A' ' 71' ' ' VAL . 29.4 mttt -46.28 -52.37 12.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 15.6 mttt -47.98 -60.23 2.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 109.276 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.893 ' HG ' ' HB1' ' A' ' 46' ' ' ALA . 0.1 OUTLIER -47.68 -56.22 7.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 109.289 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . 0.591 HG23 ' O ' ' A' ' 119' ' ' ILE . 19.3 p . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 110.438 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.727 HG13 ' H ' ' A' ' 13' ' ' GLU . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.727 ' H ' HG13 ' A' ' 12' ' ' VAL . 5.8 mt-10 -65.0 -37.26 87.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 110.288 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.771 HD11 ' CG ' ' A' ' 49' ' ' HIS . 2.5 mm? -82.59 4.82 23.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.4 t -96.85 59.45 1.71 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.972 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -132.35 153.9 20.8 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.482 1.114 . . . . 0.0 110.958 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.6 m -67.43 123.29 19.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 0.779 . . . . 0.0 110.39 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.484 HG13 ' HG3' ' A' ' 21' ' ' GLN . 2.1 t -63.17 123.78 16.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.415 HG13 ' HG2' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -112.9 -33.8 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.523 ' HG2' ' CD2' ' A' ' 115' ' ' TRP . 2.4 tptt -145.81 139.9 26.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.81 ' NE2' HG23 ' A' ' 40' ' ' VAL . 4.9 mt-30 -145.62 148.99 33.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 110.276 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 160.73 -175.15 37.45 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.533 1.146 . . . . 0.0 110.996 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.515 ' CE2' ' HB2' ' A' ' 38' ' ' ARG . 66.7 m-85 -109.69 127.57 54.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 0.755 . . . . 0.0 111.011 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.579 HD22 ' O ' ' A' ' 105' ' ' GLN . 20.2 mt -127.13 169.77 13.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.266 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.413 ' HB3' ' CB ' ' A' ' 105' ' ' GLN . . . -106.74 151.04 25.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.32 103.38 9.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.297 -179.984 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.603 ' N ' ' CD1' ' A' ' 34' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.0 mttt -93.54 157.36 16.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.349 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.4 t -95.64 146.61 6.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 28.9 mmt85 -146.42 158.81 43.94 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.111 . . . . 0.0 110.29 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.515 ' HB2' ' CE2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -91.66 104.56 17.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.28 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.485 ' CD1' ' HB2' ' A' ' 24' ' ' LEU . 23.1 m-85 -97.21 132.51 42.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 111.003 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.879 HG12 ' O ' ' A' ' 49' ' ' HIS . 14.5 p -116.27 139.4 43.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.707 ' HG ' HD13 ' A' ' 48' ' ' LEU . 0.4 OUTLIER -113.45 124.57 52.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 109.305 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 31.9 mtt85 -124.72 157.27 36.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 110.31 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.437 ' CB ' HD11 ' A' ' 122' ' ' LEU . 0.6 OUTLIER -134.5 148.69 50.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.147 . . . . 0.0 109.316 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.469 ' HA ' ' HA ' ' A' ' 45' ' ' PRO . 0.5 OUTLIER 42.87 83.15 0.21 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.425 1.078 . . . . 0.0 109.281 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.469 ' HA ' ' HA ' ' A' ' 44' ' ' ASP . 18.3 Cg_endo -74.96 176.53 43.0 Favored 'Cis proline' 0 C--N 1.36 1.17 0 C-N-CA 121.004 -2.498 . . . . 0.0 110.987 -0.031 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.71 ' HB2' HD12 ' A' ' 122' ' ' LEU . . . -95.37 109.48 21.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.601 ' CE2' ' CD ' ' A' ' 13' ' ' GLU . 27.3 m-85 -160.2 148.49 16.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 110.987 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.865 HD12 ' O ' ' A' ' 40' ' ' VAL . 3.0 tp -129.74 113.49 14.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.879 ' O ' HG12 ' A' ' 40' ' ' VAL . 67.4 m80 -119.22 161.2 20.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.635 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.579 ' O ' HG23 ' A' ' 61' ' ' VAL . 6.5 p90 -145.06 151.73 38.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 111.023 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.599 ' HA ' HG23 ' A' ' 61' ' ' VAL . 15.8 m-85 -123.79 143.47 50.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 111.015 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -76.89 125.63 86.74 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.148 0 O-C-N 124.516 1.798 . . . . 0.0 110.98 -179.987 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.294 -0.261 . . . . 0.0 110.294 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.577 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 18.3 Cg_endo -75.03 167.96 25.87 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.516 1.798 . . . . 0.0 111.033 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.599 HG23 ' HA ' ' A' ' 51' ' ' TYR . 2.6 t -69.89 -30.34 43.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 139.76 73.48 0.05 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.507 1.129 . . . . 0.0 111.015 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -64.03 -179.81 6.36 Favored Glycine 0 CA--C 1.531 1.069 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.701 ' CZ ' HD23 ' A' ' 48' ' ' LEU . 1.9 p90 -134.05 163.65 29.1 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.58 0.812 . . . . 0.0 110.999 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 30.4 p -72.76 158.46 35.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.032 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.406 ' O ' ' C ' ' A' ' 67' ' ' ARG . 94.1 mt -109.33 -42.5 4.35 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.115 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -38.01 -58.24 0.96 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.286 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -98.34 55.64 1.08 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.48 1.112 . . . . 0.0 111.014 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 25.0 m -145.61 177.41 8.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 0.762 . . . . 0.0 110.006 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.683 HD23 HD12 ' A' ' 95' ' ' ILE . 15.3 tp -154.48 155.17 34.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 109.286 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.703 HG13 ' HD2' ' A' ' 120' ' ' LYS . 7.1 p -132.6 149.84 32.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 13.2 m -161.7 160.62 28.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.978 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -97.76 159.42 14.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 109.349 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.515 ' N ' HD23 ' A' ' 91' ' ' LEU . 3.5 mt . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.574 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 24.8 p90 -167.81 179.0 4.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.54 1.15 . . . . 0.0 110.993 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.748 ' NZ ' HD11 ' A' ' 95' ' ' ILE . 0.0 OUTLIER -139.8 164.99 28.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.438 1.086 . . . . 0.0 109.292 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.491 HG13 ' O ' ' A' ' 70' ' ' LEU . 71.4 t -134.1 113.61 18.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.114 . . . . 0.0 109.339 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.748 HD11 ' NZ ' ' A' ' 93' ' ' LYS . 12.4 mt -87.82 114.98 27.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.431 1.082 . . . . 0.0 109.281 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 24.8 p -85.66 -177.94 6.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.403 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.23 -13.8 59.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.271 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -93.53 8.82 39.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 50.0 t0 62.76 21.54 12.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.346 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 59.0 m -88.43 120.12 29.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.117 . . . . 0.0 110.373 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.574 ' CD2' HG12 ' A' ' 95' ' ' ILE . 14.6 m170 -87.39 105.54 17.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.57 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -92.87 100.88 13.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 111.006 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . 0.405 ' CD1' ' HB3' ' A' ' 93' ' ' LYS . 4.0 m-85 -74.84 122.73 23.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 110.971 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.574 ' HB ' ' CZ ' ' A' ' 92' ' ' PHE . 36.6 mt -119.49 164.04 16.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.579 ' O ' HD22 ' A' ' 24' ' ' LEU . 3.5 tt0 -113.63 139.05 49.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 110.315 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.478 ' CB ' ' HB2' ' A' ' 112' ' ' ARG . . . -106.21 145.8 31.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 109.329 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.4 t -55.88 -45.23 78.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.02 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -137.33 169.56 17.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.014 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -58.09 -24.59 59.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -85.4 -51.73 6.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.4 ' HB3' ' HB1' ' A' ' 106' ' ' ALA . 0.8 OUTLIER -39.44 -41.21 0.93 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.325 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.649 ' NE ' HD12 ' A' ' 116' ' ' ILE . 8.7 ttp180 -61.82 -66.8 0.48 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.453 1.095 . . . . 0.0 110.279 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -43.3 -34.25 1.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.289 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -72.41 -50.83 23.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 110.293 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' TRP . . . . . 0.71 ' O ' HD12 ' A' ' 119' ' ' ILE . 63.4 m95 -62.41 -25.05 67.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 108.051 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.649 HD12 ' NE ' ' A' ' 112' ' ' ARG . 43.7 mt -79.06 -76.96 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 116' ' ' ILE . 1.8 tt0 -36.11 -39.81 0.19 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 110.331 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.434 ' HB1' HD13 ' A' ' 41' ' ' LEU . . . -56.67 -69.71 0.14 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.71 HD12 ' O ' ' A' ' 115' ' ' TRP . 13.3 mt -40.49 -59.5 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.703 ' HD2' HG13 ' A' ' 71' ' ' VAL . 0.0 OUTLIER -38.71 -54.51 1.57 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 120' ' ' LYS . 14.5 mttt -38.92 -60.34 0.86 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.339 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.71 HD12 ' HB2' ' A' ' 46' ' ' ALA . 3.7 mm? -54.09 -55.25 29.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . 0.519 HG23 ' O ' ' A' ' 119' ' ' ILE . 7.1 p . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.432 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.517 HG13 ' N ' ' A' ' 13' ' ' GLU . 6.0 p . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.517 ' N ' HG13 ' A' ' 12' ' ' VAL . 3.3 mp0 -59.46 -49.52 77.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.288 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.495 ' HA ' ' CD ' ' A' ' 42' ' ' ARG . 0.3 OUTLIER -82.64 2.13 34.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.285 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -93.17 25.11 3.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.435 1.084 . . . . 0.0 109.999 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -98.97 159.42 20.14 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.513 1.133 . . . . 0.0 111.0 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.8 m -75.98 126.93 31.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 0.759 . . . . 0.0 110.424 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.2 t -62.58 122.74 14.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 0.0 109.309 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.719 HG13 ' HE2' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -111.82 -31.5 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.336 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.513 ' HG2' ' CE3' ' A' ' 115' ' ' TRP . 2.7 tptt -152.55 143.59 23.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.609 ' NE2' ' H ' ' A' ' 21' ' ' GLN . 0.0 OUTLIER -156.41 167.22 31.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 110.29 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 150.61 -153.61 25.12 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.541 1.151 . . . . 0.0 111.002 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -124.43 114.77 19.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 0.777 . . . . 0.0 111.026 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.725 HD21 ' NE1' ' A' ' 115' ' ' TRP . 47.6 mt -107.45 168.17 9.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.756 ' HB3' ' HB3' ' A' ' 105' ' ' GLN . . . -114.84 115.27 26.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 109.344 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.465 ' HD3' ' CG1' ' A' ' 104' ' ' ILE . 0.0 OUTLIER -85.97 153.17 22.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.327 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.449 ' HG3' ' CE2' ' A' ' 34' ' ' TRP . 2.9 tt0 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.291 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.449 ' CE2' ' HG3' ' A' ' 27' ' ' GLN . 13.4 m95 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -138.74 124.57 19.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.268 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.6 t -74.35 117.29 18.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 109.277 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.5 ttp180 -122.86 157.54 32.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 110.313 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.2 ttp85 -91.69 113.11 25.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 110.267 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.452 ' CD1' ' HB2' ' A' ' 24' ' ' LEU . 24.9 m-85 -107.44 148.55 29.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 111.037 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.867 ' O ' HD12 ' A' ' 48' ' ' LEU . 9.5 p -132.59 136.18 56.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.331 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.649 ' HG ' HD13 ' A' ' 48' ' ' LEU . 0.4 OUTLIER -110.72 124.33 51.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.352 179.942 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.495 ' CD ' ' HA ' ' A' ' 14' ' ' LEU . 54.3 mtt-85 -117.3 163.11 16.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.273 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.719 ' HE2' HG13 ' A' ' 19' ' ' VAL . 1.1 pttt -140.98 140.24 34.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.479 ' N ' ' C ' ' A' ' 45' ' ' PRO . 10.5 t0 49.64 77.64 0.45 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.296 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.479 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.3 Cg_endo -75.04 171.39 68.35 Favored 'Cis proline' 0 C--N 1.361 1.192 0 C-N-CA 120.988 -2.505 . . . . 0.0 110.998 0.036 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.746 ' HB2' HD12 ' A' ' 122' ' ' LEU . . . -97.36 99.25 10.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -141.94 160.57 39.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 110.996 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.867 HD12 ' O ' ' A' ' 40' ' ' VAL . 21.1 tp -133.49 113.9 13.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.266 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.569 ' CD2' ' HA3' ' A' ' 63' ' ' GLY . 54.7 m80 -119.11 165.53 14.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.604 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.592 ' CE2' ' HB ' ' A' ' 61' ' ' VAL . 2.6 p90 -152.88 164.14 38.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 111.007 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.602 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 3.0 m-85 -139.56 139.11 36.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 110.976 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -74.65 125.34 89.72 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.165 0 O-C-N 124.521 1.8 . . . . 0.0 111.013 -179.982 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 8.9 mtp180 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.278 -0.267 . . . . 0.0 110.278 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.602 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 18.4 Cg_endo -74.95 163.98 34.32 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.437 1.756 . . . . 0.0 111.044 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.592 ' HB ' ' CE2' ' A' ' 50' ' ' TYR . 2.4 t -69.28 -32.13 52.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.573 1.171 . . . . 0.0 109.293 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 147.65 74.44 0.02 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.513 1.133 . . . . 0.0 110.97 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.569 ' HA3' ' CD2' ' A' ' 49' ' ' HIS . . . -59.93 167.03 9.42 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.656 ' CE2' HD23 ' A' ' 48' ' ' LEU . 1.3 p90 -133.75 159.5 40.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 0.763 . . . . 0.0 110.962 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 77.0 p -70.81 159.56 34.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.987 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.615 HD21 ' HB3' ' A' ' 48' ' ' LEU . 49.7 mt -114.2 -34.66 5.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.44 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -35.68 -65.83 0.23 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 110.311 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -95.15 51.54 1.89 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.485 1.115 . . . . 0.0 111.0 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.412 ' HA ' ' HA ' ' A' ' 96' ' ' THR . 73.2 m -130.82 -179.99 5.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 0.748 . . . . 0.0 109.995 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 1.035 HD13 ' N ' ' A' ' 71' ' ' VAL . 3.1 tm? -155.97 154.13 30.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 1.035 ' N ' HD13 ' A' ' 70' ' ' LEU . 6.6 p -139.25 140.36 37.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.097 . . . . 0.0 109.344 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.415 ' O ' ' HB2' ' A' ' 92' ' ' PHE . 6.9 p -141.13 170.11 16.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.977 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -113.07 135.63 53.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.267 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.988 HD12 ' HB2' ' A' ' 91' ' ' LEU . 1.2 mt . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.988 ' HB2' HD12 ' A' ' 74' ' ' LEU . 1.0 OUTLIER . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.565 ' HB3' HD11 ' A' ' 116' ' ' ILE . 15.0 p90 -161.29 154.07 20.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 111.039 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.491 ' HE2' ' CG1' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -119.08 163.62 16.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 60.8 t -124.43 101.01 8.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.585 HG12 ' CD2' ' A' ' 101' ' ' HIS . 78.7 mt -85.85 99.93 8.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.412 ' HA ' ' HA ' ' A' ' 69' ' ' SER . 2.1 p -76.16 -175.87 3.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.397 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.41 -28.77 67.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 99' ' ' ASP . 1.1 m-20 -87.84 11.66 15.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.563 ' HA ' HG23 ' A' ' 95' ' ' ILE . 42.7 m-20 40.15 44.37 1.52 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.105 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 3.4 m -70.8 -46.06 63.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 110.413 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.585 ' CD2' HG12 ' A' ' 95' ' ' ILE . 4.7 m170 78.34 89.14 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.601 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -99.54 106.85 18.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 110.979 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -73.86 128.83 36.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.985 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.481 ' CG2' ' N ' ' A' ' 105' ' ' GLN . 24.4 mt -137.38 163.91 30.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.756 ' HB3' ' HB3' ' A' ' 25' ' ' ALA . 28.7 tt0 -121.75 148.46 44.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.14 . . . . 0.0 110.259 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.574 ' HB1' ' HB3' ' A' ' 111' ' ' GLU . . . -100.69 149.26 23.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.54 -48.3 74.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.989 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 109' ' ' LYS . 0.2 OUTLIER -135.98 155.3 50.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.012 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 108' ' ' SER . 22.8 mtmt -40.42 -42.02 1.51 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.8 -57.38 8.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.574 ' HB3' ' HB1' ' A' ' 106' ' ' ALA . 0.2 OUTLIER -39.13 -39.78 0.63 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.105 . . . . 0.0 110.288 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.56 ' HE ' HD12 ' A' ' 116' ' ' ILE . 8.1 ttp-105 -57.88 -70.52 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.273 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.465 ' O ' ' N ' ' A' ' 117' ' ' GLU . . . -41.6 -50.82 4.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.496 ' O ' ' CB ' ' A' ' 118' ' ' ALA . 37.3 mm-40 -56.81 -58.34 8.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.331 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' TRP . . . . . 0.725 ' NE1' HD21 ' A' ' 24' ' ' LEU . 33.3 m95 -51.89 -40.65 61.01 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.565 HD11 ' HB3' ' A' ' 92' ' ' PHE . 49.6 mt -68.76 -78.37 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.569 1.168 . . . . 0.0 109.335 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' A' ' 113' ' ' ALA . 2.2 tt0 -38.17 -43.14 0.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.313 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.496 ' CB ' ' O ' ' A' ' 114' ' ' GLU . . . -55.04 -69.96 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 95.9 mt -44.96 -48.78 2.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.294 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.5 ' HG2' HG13 ' A' ' 71' ' ' VAL . 33.9 mttt -46.77 -49.31 19.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 16.9 mttt -45.69 -60.38 2.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.746 HD12 ' HB2' ' A' ' 46' ' ' ALA . 1.7 mm? -51.07 -55.08 19.39 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.12 . . . . 0.0 109.331 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . 0.474 HG22 ' O ' ' A' ' 66' ' ' LEU . 46.3 p . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.419 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.648 HG13 ' H ' ' A' ' 13' ' ' GLU . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.648 ' H ' HG13 ' A' ' 12' ' ' VAL . 2.6 mt-10 -51.64 -41.18 61.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.3 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.447 HD21 ' CD2' ' A' ' 49' ' ' HIS . 0.8 OUTLIER -89.1 14.97 9.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.344 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.7 t -103.43 51.2 0.79 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.033 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -122.96 159.72 17.55 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.489 1.118 . . . . 0.0 111.068 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.1 m -75.06 117.1 16.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 0.762 . . . . 0.0 110.411 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.469 HG13 ' HG3' ' A' ' 21' ' ' GLN . 2.6 t -48.73 124.18 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.42 HG13 ' HE2' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -111.16 -28.38 2.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.525 ' HG2' ' CD2' ' A' ' 115' ' ' TRP . 3.3 tttt -159.69 141.01 12.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.883 ' NE2' HG23 ' A' ' 40' ' ' VAL . 8.0 mt-30 -145.35 149.59 35.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.339 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 160.63 -171.99 36.89 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.5 1.125 . . . . 0.0 110.983 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.537 ' CE2' ' HB2' ' A' ' 38' ' ' ARG . 54.1 m-85 -115.04 121.48 43.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 0.782 . . . . 0.0 111.017 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.543 HD21 ' CD1' ' A' ' 115' ' ' TRP . 14.6 mt -113.52 172.73 6.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.531 ' O ' ' CZ3' ' A' ' 34' ' ' TRP . . . -123.96 102.42 7.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -98.31 130.11 45.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.511 ' HB2' ' CE2' ' A' ' 34' ' ' TRP . 24.3 tt0 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 110.304 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.531 ' CZ3' ' O ' ' A' ' 25' ' ' ALA . 14.0 m95 . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.05 137.26 54.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.4 t -79.62 136.68 23.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 21.9 mmt85 -140.86 156.36 46.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 110.292 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.537 ' HB2' ' CE2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -89.48 103.67 16.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.327 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.533 ' CD1' ' HB2' ' A' ' 24' ' ' LEU . 26.3 m-85 -97.33 131.6 43.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 111.029 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.955 ' O ' HD12 ' A' ' 48' ' ' LEU . 10.7 p -117.71 138.92 46.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.774 ' HG ' HD13 ' A' ' 48' ' ' LEU . 0.6 OUTLIER -117.36 134.02 55.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.403 ' C ' ' CG2' ' A' ' 19' ' ' VAL . 24.5 mtt85 -134.06 167.96 19.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.302 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 45' ' ' PRO . 0.8 OUTLIER -139.06 148.1 42.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 -179.939 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 45' ' ' PRO . 0.8 OUTLIER 41.53 82.48 0.22 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.445 ' O ' ' N ' ' A' ' 44' ' ' ASP . 18.3 Cg_endo -75.03 174.64 51.67 Favored 'Cis proline' 0 C--N 1.36 1.14 0 C-N-CA 121.015 -2.494 . . . . 0.0 111.003 0.025 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.962 ' HB1' ' HB3' ' A' ' 122' ' ' LEU . . . -99.72 103.53 15.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.328 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.53 ' CE2' ' CD ' ' A' ' 13' ' ' GLU . 7.9 m-85 -154.11 147.82 25.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 110.949 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.955 HD12 ' O ' ' A' ' 40' ' ' VAL . 8.2 tp -123.4 113.66 19.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.704 ' O ' HG12 ' A' ' 40' ' ' VAL . 69.4 m80 -114.5 163.9 14.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.608 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.568 ' CE2' ' HB ' ' A' ' 61' ' ' VAL . 8.1 p90 -148.36 152.39 36.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 111.007 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.67 ' HA ' HG23 ' A' ' 61' ' ' VAL . 9.6 m-85 -125.18 144.35 50.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 111.005 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -81.91 122.95 80.41 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.166 0 O-C-N 124.506 1.793 . . . . 0.0 110.983 179.993 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.559 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 18.5 Cg_endo -74.95 171.49 18.21 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.464 1.77 . . . . 0.0 111.072 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.67 HG23 ' HA ' ' A' ' 51' ' ' TYR . 2.6 t -69.8 -29.24 40.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 130.93 75.47 0.13 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.488 1.118 . . . . 0.0 111.024 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -61.3 -175.98 1.81 Allowed Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -133.7 165.11 25.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 0.77 . . . . 0.0 110.979 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.4 p -71.87 145.76 48.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.987 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.546 HD21 ' HB3' ' A' ' 48' ' ' LEU . 90.7 mt -101.21 -40.18 7.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -34.68 -59.33 0.47 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.317 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -101.7 47.51 1.17 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.505 1.128 . . . . 0.0 111.039 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 36.9 p -118.68 -179.0 3.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 0.752 . . . . 0.0 109.98 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 95' ' ' ILE . 64.5 tp -156.43 146.99 21.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.679 HG13 ' HD2' ' A' ' 120' ' ' LYS . 2.5 p -137.39 145.58 29.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.3 m -157.63 162.51 38.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 109.998 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -99.96 148.64 24.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.273 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.892 HD12 ' HB2' ' A' ' 91' ' ' LEU . 1.9 mt . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.892 ' HB2' HD12 ' A' ' 74' ' ' LEU . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.567 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 10.0 p90 -161.11 159.39 29.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 111.006 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.443 ' HE2' ' CG1' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -122.38 167.02 13.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 78.2 t -127.05 100.64 6.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.446 1.091 . . . . 0.0 109.31 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.869 HG23 ' CD2' ' A' ' 101' ' ' HIS . 52.3 mt -86.51 110.74 20.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 43.4 p -86.99 179.0 6.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 110.386 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 1.9 tttp -60.75 -19.99 60.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.333 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 99' ' ' ASP . 53.4 m-20 -89.3 12.9 14.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.253 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.404 ' O ' ' OD2' ' A' ' 99' ' ' ASP . 4.2 p-10 40.03 43.36 1.28 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.332 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.561 HG21 ' CE1' ' A' ' 102' ' ' TYR . 18.9 m -78.27 -51.49 10.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.378 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.869 ' CD2' HG23 ' A' ' 95' ' ' ILE . 4.9 m170 79.04 94.42 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 109.62 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.561 ' CE1' HG21 ' A' ' 100' ' ' THR . 44.7 m-85 -103.45 112.72 25.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 111.011 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 3.5 m-30 -76.31 125.17 28.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.421 1.075 . . . . 0.0 111.018 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.567 ' HB ' ' CZ ' ' A' ' 92' ' ' PHE . 9.2 mt -131.35 149.17 32.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.482 ' HB2' ' CD2' ' A' ' 91' ' ' LEU . 7.4 tt0 -113.36 141.87 46.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.278 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.536 ' HA ' HD22 ' A' ' 24' ' ' LEU . . . -91.84 163.32 14.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.243 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 6.4 t -82.0 -47.08 13.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 110.01 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -124.05 151.27 43.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.097 . . . . 0.0 109.99 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -41.21 -54.93 2.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -58.67 -50.33 74.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.345 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.574 ' HG3' ' CD1' ' A' ' 115' ' ' TRP . 0.6 OUTLIER -41.78 -40.61 2.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.289 179.942 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.497 ' HD2' ' CD1' ' A' ' 116' ' ' ILE . 6.1 tmm_? -61.73 -69.03 0.27 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.283 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -46.24 -46.25 17.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.33 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -61.53 -61.04 2.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 110.323 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' TRP . . . . . 0.574 ' CD1' ' HG3' ' A' ' 111' ' ' GLU . 34.2 m95 -45.63 -32.7 2.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 108.019 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.497 ' CD1' ' HD2' ' A' ' 112' ' ' ARG . 25.9 mt -73.01 -77.73 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 116' ' ' ILE . 0.3 OUTLIER -35.09 -48.79 0.44 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 110.245 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.702 ' HB1' HD13 ' A' ' 41' ' ' LEU . . . -47.83 -62.96 1.2 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.535 HD12 ' O ' ' A' ' 115' ' ' TRP . 20.3 mt -45.77 -54.66 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.679 ' HD2' HG13 ' A' ' 71' ' ' VAL . 0.0 OUTLIER -51.72 -53.32 40.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.14 . . . . 0.0 109.329 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.403 ' HG3' ' O ' ' A' ' 117' ' ' GLU . 19.8 mttt -39.97 -57.38 1.63 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.261 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.962 ' HB3' ' HB1' ' A' ' 46' ' ' ALA . 0.6 OUTLIER -52.5 -56.21 16.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.267 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . 0.51 HG22 ' O ' ' A' ' 66' ' ' LEU . 50.6 p . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 110.389 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.795 HG13 ' H ' ' A' ' 13' ' ' GLU . 1.5 p . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.795 ' H ' HG13 ' A' ' 12' ' ' VAL . 39.3 mt-10 -62.28 -42.97 99.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.32 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.674 HD21 ' CD2' ' A' ' 49' ' ' HIS . 2.0 mt -87.19 11.4 14.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.348 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.22 60.05 0.62 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 0.0 109.958 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -138.93 172.55 23.07 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.484 1.115 . . . . 0.0 111.017 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.463 ' HB ' ' HD3' ' A' ' 43' ' ' LYS . 13.8 m -76.38 143.2 40.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 0.761 . . . . 0.0 110.4 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.65 HG21 ' NE2' ' A' ' 21' ' ' GLN . 2.1 t -76.37 128.41 37.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.725 HG13 ' HD2' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -111.57 -41.37 4.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.558 ' HG2' ' CD2' ' A' ' 115' ' ' TRP . 4.6 tptt -148.17 140.15 24.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.65 ' NE2' HG21 ' A' ' 18' ' ' VAL . 81.8 mt-30 -142.86 147.8 35.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.301 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 165.32 -169.77 39.97 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.546 1.153 . . . . 0.0 111.042 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.544 ' CE1' ' HB2' ' A' ' 38' ' ' ARG . 85.6 m-85 -115.25 125.91 53.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 0.786 . . . . 0.0 111.001 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.585 HD12 ' CG ' ' A' ' 39' ' ' PHE . 20.4 mt -121.03 169.73 10.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 109.281 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -116.7 124.96 50.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.332 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.6 mmmt -98.44 135.59 39.79 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.548 1.155 . . . . 0.0 109.28 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.412 ' HG3' ' NE1' ' A' ' 34' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.3 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.412 ' NE1' ' HG3' ' A' ' 27' ' ' GLN . 31.8 m95 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.1 mtpm? -107.66 129.82 54.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.5 t -73.47 144.55 12.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.713 ' HD3' HG21 ' A' ' 61' ' ' VAL . 0.1 OUTLIER -151.06 164.88 35.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 110.272 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.544 ' HB2' ' CE1' ' A' ' 23' ' ' TYR . 1.4 ttp180 -98.72 105.15 17.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.103 . . . . 0.0 110.276 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.585 ' CG ' HD12 ' A' ' 24' ' ' LEU . 7.4 m-85 -96.64 136.26 37.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 110.993 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.906 ' O ' HD12 ' A' ' 48' ' ' LEU . 8.8 p -122.65 140.51 46.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.746 ' HG ' HD13 ' A' ' 48' ' ' LEU . 0.5 OUTLIER -116.9 118.32 32.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.431 1.082 . . . . 0.0 109.301 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.454 ' NH1' ' O ' ' A' ' 14' ' ' LEU . 1.7 mtp180 -122.15 148.76 44.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.346 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.725 ' HD2' HG13 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -122.89 154.58 38.12 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.467 ' N ' ' C ' ' A' ' 45' ' ' PRO . 1.8 t70 44.09 78.58 0.38 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.467 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.3 Cg_endo -75.0 169.75 73.72 Favored 'Cis proline' 0 C--N 1.36 1.161 0 C-N-CA 120.981 -2.508 . . . . 0.0 110.997 -0.014 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.707 ' CB ' HD12 ' A' ' 122' ' ' LEU . . . -92.77 102.74 15.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.44 1.087 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.427 ' CD1' ' HB2' ' A' ' 45' ' ' PRO . 42.4 m-85 -150.16 166.09 30.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 111.031 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.906 HD12 ' O ' ' A' ' 40' ' ' VAL . 5.3 tp -141.87 113.31 7.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.674 ' CD2' HD21 ' A' ' 14' ' ' LEU . 60.0 m80 -117.47 166.76 11.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.603 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.544 ' CE1' ' N ' ' A' ' 63' ' ' GLY . 17.7 p90 -147.85 150.66 34.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 0.0 111.015 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.785 ' HA ' HG23 ' A' ' 61' ' ' VAL . 13.6 m-85 -127.48 153.61 46.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 111.033 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.523 ' N ' ' CG2' ' A' ' 61' ' ' VAL . 15.3 t0 -83.2 124.5 76.16 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.255 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.123 0 O-C-N 124.515 1.797 . . . . 0.0 111.017 179.968 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.472 ' CD ' ' HD2' ' A' ' 60' ' ' PRO . 16.6 tpp180 . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 110.332 -0.247 . . . . 0.0 110.332 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.588 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 18.3 Cg_endo -74.96 165.38 31.47 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.523 1.802 . . . . 0.0 110.952 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.785 HG23 ' HA ' ' A' ' 51' ' ' TYR . 1.6 t -77.33 -18.74 14.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.277 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 179.68 -128.91 1.28 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.493 1.121 . . . . 0.0 111.015 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.544 ' N ' ' CE1' ' A' ' 50' ' ' TYR . . . 122.67 130.05 3.63 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.801 ' CZ ' HD23 ' A' ' 48' ' ' LEU . 2.6 p90 -117.54 154.19 31.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 0.746 . . . . 0.0 111.01 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.0 t -77.86 135.21 37.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.98 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.46 ' O ' ' N ' ' A' ' 69' ' ' SER . 69.1 mt -80.63 -42.2 22.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 5.0 mmt180 -45.24 97.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.311 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 99.56 29.98 6.75 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.455 1.097 . . . . 0.0 111.012 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.46 ' N ' ' O ' ' A' ' 66' ' ' LEU . 36.9 m -117.3 -176.84 3.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 0.755 . . . . 0.0 110.04 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.843 ' O ' HG13 ' A' ' 94' ' ' VAL . 1.1 tm? -151.85 161.64 42.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.269 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.746 ' N ' HD13 ' A' ' 70' ' ' LEU . 7.7 p -149.88 144.44 17.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.7 m -160.2 161.14 33.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 109.956 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -94.23 142.92 26.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.675 HD12 ' HB2' ' A' ' 91' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.675 ' HB2' HD12 ' A' ' 74' ' ' LEU . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.439 ' HB3' HD11 ' A' ' 116' ' ' ILE . 33.6 p90 -142.12 164.48 30.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.977 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.06 167.59 18.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.843 HG13 ' O ' ' A' ' 70' ' ' LEU . 81.5 t -135.48 120.84 29.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.576 HG23 ' HD2' ' A' ' 101' ' ' HIS . 9.0 mt -99.98 119.56 48.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 38.1 p -77.08 -177.62 4.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.45 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.64 -42.68 99.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.345 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.676 ' O ' ' CB ' ' A' ' 99' ' ' ASP . 0.2 OUTLIER -58.51 -51.58 69.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 109.29 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.676 ' CB ' ' O ' ' A' ' 98' ' ' ASP . 0.5 OUTLIER 140.42 -15.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 179.961 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.496 ' O ' ' HA ' ' A' ' 95' ' ' ILE . 52.8 m -42.32 148.37 0.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 110.419 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.576 ' HD2' HG23 ' A' ' 95' ' ' ILE . 47.3 m170 -116.55 113.05 22.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.544 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -102.31 111.54 23.87 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.545 1.153 . . . . 0.0 111.007 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -89.86 123.52 33.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 111.003 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.48 HG22 ' N ' ' A' ' 105' ' ' GLN . 81.5 mt -129.9 165.18 30.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.48 ' N ' HG22 ' A' ' 104' ' ' ILE . 10.8 tt0 -127.66 135.89 50.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.267 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.719 ' HB1' ' HB3' ' A' ' 111' ' ' GLU . . . -93.03 -179.73 5.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 0.0 109.269 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 41.2 t -89.19 -30.13 18.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.965 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.6 m -152.61 158.6 42.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.979 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.03 -46.29 21.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.1 . . . . 0.0 109.29 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.89 -44.16 93.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.719 ' HB3' ' HB1' ' A' ' 106' ' ' ALA . 0.2 OUTLIER -47.38 -39.53 15.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.155 . . . . 0.0 110.335 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.466 ' O ' ' C ' ' A' ' 113' ' ' ALA . 3.5 mtt-85 -57.67 -76.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.435 1.084 . . . . 0.0 110.26 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.466 ' C ' ' O ' ' A' ' 112' ' ' ARG . . . -35.36 -49.15 0.51 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.274 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.415 ' HB3' ' NZ ' ' A' ' 20' ' ' LYS . 1.3 mm-40 -55.91 -52.81 62.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 110.3 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' TRP . . . . . 0.558 ' CD2' ' HG2' ' A' ' 20' ' ' LYS . 60.1 m95 -65.87 -41.65 91.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 108.04 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.439 HD11 ' HB3' ' A' ' 92' ' ' PHE . 68.7 mt -61.14 -77.17 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.347 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 113' ' ' ALA . 2.7 tt0 -37.3 -51.68 1.07 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -47.68 -53.6 14.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.265 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 24.5 mt -55.62 -54.72 22.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.527 ' CG ' ' CG1' ' A' ' 71' ' ' VAL . 26.5 mttt -47.73 -51.45 22.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 18.8 mttt -43.03 -56.16 3.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 109.34 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.707 HD12 ' CB ' ' A' ' 46' ' ' ALA . 1.0 OUTLIER -54.37 -53.48 53.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 109.285 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 33.6 p . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.408 -179.99 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.759 HG13 ' H ' ' A' ' 13' ' ' GLU . 1.6 p . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.759 ' H ' HG13 ' A' ' 12' ' ' VAL . 46.2 mt-10 -58.63 -46.06 87.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.259 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.743 HD11 ' CG ' ' A' ' 49' ' ' HIS . 1.4 mm? -80.61 -0.39 37.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.316 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 24.5 t -93.2 55.88 2.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.963 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -135.75 162.61 24.96 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.46 1.1 . . . . 0.0 111.008 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.477 ' CB ' ' HD3' ' A' ' 43' ' ' LYS . 4.2 m -69.74 146.13 51.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 0.773 . . . . 0.0 110.387 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.435 HG13 ' HG3' ' A' ' 21' ' ' GLN . 2.3 t -82.57 126.62 40.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.148 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.727 HG13 ' HD2' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -109.67 -35.0 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.343 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.548 ' HG2' ' CD2' ' A' ' 115' ' ' TRP . 3.2 tptt -152.0 142.14 22.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.45 ' OE1' HG23 ' A' ' 40' ' ' VAL . 22.7 mt-30 -144.82 146.08 31.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 110.326 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 164.89 -164.37 36.97 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.5 1.125 . . . . 0.0 111.022 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.517 ' CZ ' ' HD3' ' A' ' 38' ' ' ARG . 57.4 m-85 -117.45 123.23 45.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 0.792 . . . . 0.0 110.984 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.676 HD22 ' O ' ' A' ' 105' ' ' GLN . 35.9 mt -116.16 166.4 12.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.268 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.783 ' HB3' ' HB3' ' A' ' 105' ' ' GLN . . . -116.56 124.1 49.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.47 145.46 27.43 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.321 179.972 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.688 ' CH2' HD22 ' A' ' 91' ' ' LEU . 11.5 m95 . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.405 ' O ' ' HA ' ' A' ' 25' ' ' ALA . 21.7 mtpt -137.79 117.31 12.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.284 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.4 t -72.49 139.56 19.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.314 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 4.0 mtt-85 -150.65 160.06 44.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.313 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.517 ' HD3' ' CZ ' ' A' ' 23' ' ' TYR . 0.9 OUTLIER -89.45 107.0 18.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.276 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.575 ' CD1' ' HB2' ' A' ' 24' ' ' LEU . 14.8 m-85 -101.24 134.58 44.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 110.981 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.885 ' O ' HD12 ' A' ' 48' ' ' LEU . 11.1 p -118.84 140.76 41.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.693 ' HG ' HD13 ' A' ' 48' ' ' LEU . 0.4 OUTLIER -112.38 113.64 25.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.27 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.444 ' HA ' ' O ' ' A' ' 17' ' ' THR . 0.0 OUTLIER -115.91 145.48 42.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 110.3 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.727 ' HD2' HG13 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -123.46 158.25 31.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 109.291 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.437 ' N ' ' C ' ' A' ' 45' ' ' PRO . 2.0 t0 38.68 79.91 0.3 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.437 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.3 Cg_endo -74.99 165.49 85.8 Favored 'Cis proline' 0 C--N 1.36 1.15 0 C-N-CA 121.019 -2.492 . . . . 0.0 111.021 -0.026 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.556 ' CB ' HD12 ' A' ' 122' ' ' LEU . . . -86.33 100.32 12.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.351 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -146.79 163.8 34.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 111.032 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.885 HD12 ' O ' ' A' ' 40' ' ' VAL . 4.8 tp -141.09 113.69 8.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.354 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.776 ' O ' HG12 ' A' ' 40' ' ' VAL . 70.5 m80 -119.85 161.61 20.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.574 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.575 ' CE2' ' HB ' ' A' ' 61' ' ' VAL . 12.1 p90 -146.62 150.07 34.76 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 111.018 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.686 ' HA ' HG23 ' A' ' 61' ' ' VAL . 11.2 m-85 -124.66 143.09 50.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.967 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -76.49 135.52 68.74 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.129 0 O-C-N 124.482 1.78 . . . . 0.0 111.02 179.966 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 6.0 mtt-85 . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.609 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 18.3 Cg_endo -75.01 164.82 32.57 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.491 1.785 . . . . 0.0 111.022 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.686 HG23 ' HA ' ' A' ' 51' ' ' TYR . 2.8 t -64.02 -29.81 48.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 141.48 71.69 0.03 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.489 1.118 . . . . 0.0 110.951 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -64.33 179.03 7.63 Favored Glycine 0 CA--C 1.531 1.043 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.68 ' CE2' HD23 ' A' ' 48' ' ' LEU . 1.6 p90 -134.09 157.81 45.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 0.775 . . . . 0.0 111.041 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 12.6 p -75.58 141.9 42.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.0 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.487 HD21 ' HB3' ' A' ' 48' ' ' LEU . 42.5 mt -95.64 -33.93 12.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 23.7 mmt180 -48.32 99.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.284 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 94.86 26.98 11.72 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.439 1.087 . . . . 0.0 111.0 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 66' ' ' LEU . 52.2 m -111.62 -174.68 2.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 0.747 . . . . 0.0 109.981 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.903 HD13 ' N ' ' A' ' 71' ' ' VAL . 2.9 tm? -155.01 156.6 36.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.903 ' N ' HD13 ' A' ' 70' ' ' LEU . 8.6 p -140.85 145.98 24.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.332 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.3 p -155.52 168.32 27.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.024 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -97.92 168.5 10.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.736 HD21 ' HB3' ' A' ' 93' ' ' LYS . 2.6 mt . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.332 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.688 HD22 ' CH2' ' A' ' 34' ' ' TRP . 3.0 mp . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.623 ' HB3' HD11 ' A' ' 116' ' ' ILE . 45.5 p90 -149.72 164.25 35.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 110.999 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.736 ' HB3' HD21 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -121.03 164.87 16.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.434 HG22 HG23 ' A' ' 71' ' ' VAL . 92.5 t -136.4 112.77 12.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.684 HD11 ' NZ ' ' A' ' 93' ' ' LYS . 21.4 mt -96.83 102.49 13.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 15.1 p -82.25 -178.69 7.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.374 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 2.2 ptmt -65.78 -11.58 47.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 109.261 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -91.89 17.37 9.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 109.327 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 47.43 35.28 3.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.259 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 98.4 m -105.0 123.4 47.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 110.45 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.565 ' CD2' HG12 ' A' ' 95' ' ' ILE . 16.7 m170 -92.61 101.93 14.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.638 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -93.19 103.62 15.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 111.016 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -76.46 108.61 9.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 111.009 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.563 ' HB ' ' CZ ' ' A' ' 92' ' ' PHE . 73.2 mt -114.59 158.31 14.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.783 ' HB3' ' HB3' ' A' ' 25' ' ' ALA . 52.4 tt0 -107.27 165.93 11.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.32 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.797 ' HB1' ' HB3' ' A' ' 111' ' ' GLU . . . -129.03 160.56 32.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.267 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.14 -34.29 74.77 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.48 1.113 . . . . 0.0 109.997 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.67 177.55 11.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.95 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 34.3 mttt -59.1 -35.25 73.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -72.59 -48.1 42.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.28 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.797 ' HB3' ' HB1' ' A' ' 106' ' ' ALA . 1.3 tp10 -45.53 -38.99 6.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 110.288 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.74 ' HG3' ' HB3' ' A' ' 106' ' ' ALA . 7.6 mtm-85 -56.73 -75.05 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.287 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.509 ' O ' ' N ' ' A' ' 117' ' ' GLU . . . -35.78 -54.97 0.73 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.236 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.451 ' O ' ' HB2' ' A' ' 118' ' ' ALA . 37.1 mm-40 -52.16 -55.04 23.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 110.281 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' TRP . . . . . 0.548 ' CD2' ' HG2' ' A' ' 20' ' ' LYS . 54.7 m95 -60.44 -47.12 87.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 108.038 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.623 HD11 ' HB3' ' A' ' 92' ' ' PHE . 5.5 mt -59.2 -76.76 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.509 ' N ' ' O ' ' A' ' 113' ' ' ALA . 2.8 tt0 -37.69 -47.88 1.01 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 110.28 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.48 ' HB1' HD13 ' A' ' 41' ' ' LEU . . . -49.32 -59.54 3.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 109.281 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 61.8 mt -54.18 -49.49 62.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 109.31 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.497 ' HG2' ' CG1' ' A' ' 71' ' ' VAL . 21.9 mttt -43.44 -52.3 6.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 14.5 mttt -46.84 -59.89 2.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.334 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.556 HD12 ' CB ' ' A' ' 46' ' ' ALA . 0.7 OUTLIER -45.1 -59.37 2.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.348 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 70.9 p . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 110.374 179.993 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.485 HG13 ' HG3' ' A' ' 13' ' ' GLU . 11.5 p . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.485 ' HG3' HG13 ' A' ' 12' ' ' VAL . 1.5 mp0 -63.74 -39.22 93.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 110.301 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -85.39 7.05 23.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.6 p -98.66 44.81 1.02 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 109.986 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -117.63 156.7 15.5 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.527 1.142 . . . . 0.0 111.03 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.6 m -70.03 121.05 16.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.449 0.735 . . . . 0.0 110.426 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.473 HG13 ' HG3' ' A' ' 21' ' ' GLN . 2.3 t -57.59 122.16 6.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.648 HG13 ' HE2' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -110.23 -27.15 2.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.529 1.143 . . . . 0.0 109.258 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.528 ' HG2' ' CD2' ' A' ' 115' ' ' TRP . 2.9 tptt -157.23 141.5 16.38 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.551 1.157 . . . . 0.0 109.361 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.875 ' NE2' HG23 ' A' ' 40' ' ' VAL . 6.7 mt-30 -144.93 148.15 33.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.288 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 163.12 -165.01 36.32 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.532 1.145 . . . . 0.0 111.017 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.565 ' CE2' ' HB2' ' A' ' 38' ' ' ARG . 68.8 m-85 -118.28 121.19 39.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 0.785 . . . . 0.0 110.989 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.561 ' HB2' ' CD1' ' A' ' 39' ' ' PHE . 51.2 mt -115.41 167.77 10.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.249 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.916 ' HB3' ' HB3' ' A' ' 105' ' ' GLN . . . -111.39 112.63 24.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.329 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.6 tttt -100.61 100.36 11.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.336 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.52 ' HB2' ' CE3' ' A' ' 34' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.351 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.52 ' CE3' ' HB2' ' A' ' 27' ' ' GLN . 10.1 m95 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.92 126.09 47.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.4 t -74.09 138.49 21.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.401 ' HD3' HG21 ' A' ' 61' ' ' VAL . 13.5 mtt-85 -146.83 153.47 40.2 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.446 1.091 . . . . 0.0 110.305 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.565 ' HB2' ' CE2' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -81.71 102.53 10.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.309 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.561 ' CD1' ' HB2' ' A' ' 24' ' ' LEU . 12.3 m-85 -96.72 134.42 40.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 110.981 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.962 ' O ' HD12 ' A' ' 48' ' ' LEU . 9.4 p -116.67 141.57 34.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.678 ' HG ' HD13 ' A' ' 48' ' ' LEU . 0.4 OUTLIER -116.01 120.28 38.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 37.0 mtt-85 -125.24 149.25 48.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.286 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.648 ' HE2' HG13 ' A' ' 19' ' ' VAL . 1.4 pttt -126.23 148.22 49.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.481 ' N ' ' C ' ' A' ' 45' ' ' PRO . 44.3 t0 47.84 77.73 0.44 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.138 . . . . 0.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.481 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.4 Cg_endo -74.97 169.62 74.05 Favored 'Cis proline' 0 C--N 1.36 1.176 0 C-N-CA 121.033 -2.486 . . . . 0.0 111.0 -0.044 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.587 ' CB ' HD12 ' A' ' 122' ' ' LEU . . . -95.07 92.84 7.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.415 ' CD2' ' HB3' ' A' ' 13' ' ' GLU . 17.3 m-85 -139.38 155.59 47.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.471 1.107 . . . . 0.0 110.99 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.962 HD12 ' O ' ' A' ' 40' ' ' VAL . 5.1 tp -132.75 113.72 13.29 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.698 ' O ' HG12 ' A' ' 40' ' ' VAL . 67.4 m80 -116.35 158.18 23.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.408 1.068 . . . . 0.0 109.611 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.412 ' HA ' ' O ' ' A' ' 38' ' ' ARG . 39.4 p90 -143.1 142.44 31.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 111.0 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.767 ' HA ' HG23 ' A' ' 61' ' ' VAL . 31.0 m-85 -116.39 163.68 15.68 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.535 1.147 . . . . 0.0 111.013 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.572 ' N ' ' CG2' ' A' ' 61' ' ' VAL . 0.0 OUTLIER -91.36 126.87 53.13 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.575 1.172 . . . . 0.0 109.33 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.14 0 O-C-N 124.464 1.77 . . . . 0.0 111.026 179.967 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.463 ' CD ' ' HD2' ' A' ' 60' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.494 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 18.3 Cg_endo -74.95 161.34 39.06 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.488 1.783 . . . . 0.0 110.999 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.767 HG23 ' HA ' ' A' ' 51' ' ' TYR . 1.1 t -79.05 -12.37 13.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 175.36 -140.54 5.28 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.512 1.132 . . . . 0.0 111.011 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 134.51 125.39 2.55 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.663 ' CZ ' HD23 ' A' ' 48' ' ' LEU . 2.5 p90 -115.85 160.33 20.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 0.752 . . . . 0.0 111.005 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.8 p -75.49 156.83 34.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 109.969 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' A' ' 69' ' ' SER . 84.7 mt -114.57 -42.43 3.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.5 105.75 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 110.285 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 89.97 31.21 11.27 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.485 1.115 . . . . 0.0 111.029 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.414 ' N ' ' O ' ' A' ' 66' ' ' LEU . 58.7 m -116.26 -178.86 3.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 0.77 . . . . 0.0 110.016 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 95' ' ' ILE . 12.2 tp -147.34 157.02 43.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.683 HG13 ' HD2' ' A' ' 120' ' ' LYS . 2.4 p -138.0 145.21 29.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 23.7 m -148.34 163.51 36.86 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.492 1.12 . . . . 0.0 110.042 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -97.29 161.9 13.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.689 HD12 ' CB ' ' A' ' 91' ' ' LEU . 9.4 mt . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.689 ' CB ' HD12 ' A' ' 74' ' ' LEU . 1.3 mt . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.479 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 15.2 p90 -170.76 158.83 6.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 0.0 110.986 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.03 165.22 16.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 78.9 t -129.54 105.36 12.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.578 HG12 ' CD2' ' A' ' 101' ' ' HIS . 80.1 mt -90.39 104.19 15.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 30.3 p -78.71 -174.72 4.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 110.407 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 1.5 ptmt -68.29 -8.76 42.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.342 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -100.29 5.17 44.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.493 ' HA ' HG23 ' A' ' 95' ' ' ILE . 0.6 OUTLIER 47.15 40.74 10.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.328 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 2.7 m -75.31 -47.76 26.31 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.467 1.104 . . . . 0.0 110.389 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.578 ' CD2' HG12 ' A' ' 95' ' ' ILE . 4.3 m170 78.16 92.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.601 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 51.3 m-85 -99.8 117.52 34.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 110.991 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -80.77 131.29 35.41 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 0.0 111.022 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.479 ' HB ' ' CZ ' ' A' ' 92' ' ' PHE . 63.2 mt -141.14 161.51 22.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.916 ' HB3' ' HB3' ' A' ' 25' ' ' ALA . 40.4 tt0 -125.18 151.88 45.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.31 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.458 ' HA ' ' CD2' ' A' ' 24' ' ' LEU . . . -105.98 150.92 25.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.53 -51.24 63.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 110.038 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -125.57 159.29 32.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.979 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 33.6 tttt -45.04 -56.27 4.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.095 . . . . 0.0 109.268 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 111' ' ' GLU . . . -56.46 -52.76 63.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.409 ' HG3' ' CD1' ' A' ' 115' ' ' TRP . 0.2 OUTLIER -38.18 -42.22 0.66 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 0.0 110.347 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.411 ' HA ' ' HB2' ' A' ' 106' ' ' ALA . 17.4 ttp180 -53.96 -70.85 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.312 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.431 ' O ' ' N ' ' A' ' 117' ' ' GLU . . . -46.81 -42.78 17.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 109.339 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.446 ' O ' ' HB2' ' A' ' 118' ' ' ALA . 2.8 mt-10 -55.63 -53.7 53.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 110.288 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' TRP . . . . . 0.528 ' CD2' ' HG2' ' A' ' 20' ' ' LYS . 81.4 m95 -63.77 -43.03 97.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 107.999 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.408 HG22 ' CE ' ' A' ' 120' ' ' LYS . 48.7 mt -60.28 -77.14 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.316 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 113' ' ' ALA . 2.1 tt0 -38.37 -38.45 0.37 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 0.0 110.298 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.446 ' HB2' ' O ' ' A' ' 114' ' ' GLU . . . -57.87 -67.89 0.3 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.43 ' O ' ' C ' ' A' ' 120' ' ' LYS . 8.0 mt -40.37 -60.32 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.683 ' HD2' HG13 ' A' ' 71' ' ' VAL . 0.2 OUTLIER -38.67 -41.25 0.68 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 109.252 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 118' ' ' ALA . 12.1 mttt -59.37 -59.18 5.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.117 . . . . 0.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.587 HD12 ' CB ' ' A' ' 46' ' ' ALA . 0.5 OUTLIER -46.92 -59.08 3.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 71.8 p . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 110.416 179.972 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.21 127.27 13.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 0.773 . . . . 0.0 109.933 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.6 p -178.67 126.54 0.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.987 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.0 -69.93 1.3 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.482 1.114 . . . . 0.0 110.955 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -108.3 150.29 27.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 0.779 . . . . 0.0 109.975 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.1 t -42.35 -58.28 2.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.113 . . . . 0.0 109.95 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 117.59 81.11 0.79 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.536 1.147 . . . . 0.0 110.997 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 8.4 t -129.89 -60.38 1.03 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 0.742 . . . . 0.0 110.02 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.1 mt -47.3 171.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.338 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 85.9 p -99.5 139.52 35.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.984 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.458 ' CG2' ' HB2' ' A' ' 14' ' ' LEU . 32.4 m -41.48 161.01 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.532 1.145 . . . . 0.0 110.434 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.666 HG22 ' N ' ' A' ' 13' ' ' GLU . 0.2 OUTLIER -141.66 -82.42 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.246 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.666 ' N ' HG22 ' A' ' 12' ' ' VAL . 2.2 mm-40 -53.16 -40.59 64.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.329 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.732 HD11 ' CG ' ' A' ' 49' ' ' HIS . 1.0 OUTLIER -87.0 10.66 15.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.0 t -100.37 49.3 0.91 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 110.001 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -123.18 158.2 17.77 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.518 1.136 . . . . 0.0 110.985 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.4 m -68.66 119.07 12.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 0.756 . . . . 0.0 110.419 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.484 HG13 ' HG3' ' A' ' 21' ' ' GLN . 2.4 t -54.5 123.02 4.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.67 HG13 ' HE2' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -110.71 -26.57 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 109.311 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.534 ' HG2' ' CD2' ' A' ' 115' ' ' TRP . 2.3 tptt -159.84 142.08 13.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.744 ' NE2' HG23 ' A' ' 40' ' ' VAL . 9.9 mt-30 -146.7 149.76 34.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.327 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 160.42 -163.77 34.14 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.532 1.145 . . . . 0.0 110.996 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.444 ' CZ ' ' HD2' ' A' ' 38' ' ' ARG . 76.6 m-85 -118.75 130.09 55.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 0.779 . . . . 0.0 110.996 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.67 HD12 ' CG ' ' A' ' 39' ' ' PHE . 21.0 mt -123.08 170.54 10.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.365 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -120.89 107.34 12.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.563 1.164 . . . . 0.0 109.28 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 59.0 tttt -89.13 141.69 28.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.64 ' NE2' HG13 ' A' ' 83' ' ' VAL . 2.3 tt0 -90.64 125.23 35.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.305 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -156.36 143.46 9.74 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.463 1.102 . . . . 0.0 111.016 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 1.3 p-80 -54.31 171.32 0.12 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 0.765 . . . . 0.0 109.596 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.39 154.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.0 175.86 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.32 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.3 tptt -44.62 161.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -42.45 -72.8 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.465 ' CE2' ' HB2' ' A' ' 27' ' ' GLN . 11.6 m0 -115.29 140.12 49.38 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.93 136.17 52.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.268 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.5 t -79.83 130.37 36.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.347 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.409 ' CD ' HG21 ' A' ' 61' ' ' VAL . 0.4 OUTLIER -136.58 144.91 44.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.298 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.444 ' HD2' ' CZ ' ' A' ' 23' ' ' TYR . 5.1 ttt180 -79.34 108.33 12.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.309 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.67 ' CG ' HD12 ' A' ' 24' ' ' LEU . 12.5 m-85 -97.69 142.11 29.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.85 ' O ' HD12 ' A' ' 48' ' ' LEU . 7.6 p -126.13 138.14 55.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.87 ' HG ' HD13 ' A' ' 48' ' ' LEU . 0.4 OUTLIER -114.74 132.6 56.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.324 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 49.5 mtt-85 -130.69 167.86 18.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 110.306 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.67 ' HE2' HG13 ' A' ' 19' ' ' VAL . 4.3 pttt -145.09 140.33 27.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.51 ' N ' ' C ' ' A' ' 45' ' ' PRO . 25.7 t70 49.2 76.59 0.53 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.51 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.3 Cg_endo -74.99 166.41 83.34 Favored 'Cis proline' 0 C--N 1.36 1.17 0 C-N-CA 121.008 -2.497 . . . . 0.0 110.978 0.011 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.856 ' HB1' ' HB3' ' A' ' 122' ' ' LEU . . . -97.85 103.74 15.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.596 ' CZ ' ' OE2' ' A' ' 13' ' ' GLU . 9.8 m-85 -148.05 160.68 42.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.094 . . . . 0.0 111.053 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.87 HD13 ' HG ' ' A' ' 41' ' ' LEU . 10.9 tp -135.7 114.08 11.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.732 ' CG ' HD11 ' A' ' 14' ' ' LEU . 54.9 m80 -118.2 161.7 19.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 0.0 109.614 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.418 ' HA ' ' O ' ' A' ' 38' ' ' ARG . 32.8 p90 -143.68 141.09 30.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 111.031 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.694 ' HA ' HG23 ' A' ' 61' ' ' VAL . 7.2 m-85 -117.4 147.14 42.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.962 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.446 ' N ' ' CG2' ' A' ' 61' ' ' VAL . 4.5 t0 -82.36 123.88 78.65 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.147 . . . . 0.0 109.3 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -42.76 0.46 Allowed 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.451 1.764 . . . . 0.0 110.952 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.411 ' N ' ' OD1' ' A' ' 52' ' ' ASP . 34.2 t -48.51 -32.91 8.62 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.142 . . . . 0.0 110.043 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 21.3 mmtp -97.7 -178.31 4.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.117 . . . . 0.0 109.319 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -132.04 77.29 1.75 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 110.306 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -138.37 125.08 20.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 110.245 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.542 ' O ' ' CE2' ' A' ' 51' ' ' TYR . 0.6 OUTLIER -57.63 -50.43 73.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.334 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.8 mtt85 -56.93 149.32 44.83 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.319 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.589 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 18.2 Cg_endo -75.0 162.58 36.89 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.517 1.799 . . . . 0.0 111.003 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.694 HG23 ' HA ' ' A' ' 51' ' ' TYR . 1.8 t -76.86 -29.86 17.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -158.18 -136.59 2.1 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.528 1.142 . . . . 0.0 111.001 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.449 ' HA3' ' CD2' ' A' ' 49' ' ' HIS . . . 131.45 123.55 2.49 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.019 -0.833 . . . . 0.0 111.019 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.537 ' CZ ' HD23 ' A' ' 48' ' ' LEU . 15.0 p90 -120.14 153.22 36.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 0.769 . . . . 0.0 111.002 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.5 m -60.35 148.67 36.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.023 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.655 ' O ' HG22 ' A' ' 123' ' ' THR . 93.6 mt -104.64 -44.88 4.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.2 OUTLIER -37.69 -64.75 0.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 110.316 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -91.58 54.59 3.08 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.443 1.089 . . . . 0.0 110.973 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.407 ' OG ' HG22 ' A' ' 96' ' ' THR . 10.5 m -140.67 -178.0 5.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 0.767 . . . . 0.0 109.984 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.845 HD13 ' N ' ' A' ' 71' ' ' VAL . 1.4 tm? -149.85 165.14 33.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.16 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.845 ' N ' HD13 ' A' ' 70' ' ' LEU . 7.3 p -149.47 142.55 17.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.6 m -155.01 166.79 32.49 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.511 1.132 . . . . 0.0 110.007 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -99.15 160.72 14.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.305 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.938 HD12 ' HB2' ' A' ' 91' ' ' LEU . 3.8 mt -105.69 92.81 4.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -56.78 -46.93 81.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.306 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -43.43 109.81 0.16 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 109.28 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 27.2 t30 -59.55 164.77 3.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 50.16 -99.05 0.03 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.531 1.145 . . . . 0.0 110.933 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -87.39 152.07 51.85 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.515 0.773 . . . . 0.0 109.341 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -81.73 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.463 1.77 . . . . 0.0 110.985 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -136.21 -68.09 0.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.41 1.069 . . . . 0.0 110.369 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -138.97 53.94 0.69 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.518 1.136 . . . . 0.0 111.039 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.64 HG13 ' NE2' ' A' ' 27' ' ' GLN . 4.4 t -100.1 142.68 15.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.468 0.746 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 17.5 mmtt -41.34 139.07 1.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.345 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 42.97 -123.95 4.05 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.488 1.118 . . . . 0.0 110.997 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 30.2 p30 -129.26 -179.31 5.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 0.768 . . . . 0.0 109.342 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.54 HG12 HD11 ' A' ' 91' ' ' LEU . 62.0 t -145.05 163.23 13.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.459 ' N ' HG12 ' A' ' 87' ' ' VAL . 15.3 mt-30 -56.13 -159.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.323 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.446 ' O ' ' ND2' ' A' ' 90' ' ' ASN . . . -127.91 140.72 12.02 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.501 1.125 . . . . 0.0 110.998 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' ' 89' ' ' GLY . 8.3 m-80 76.8 56.9 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 0.784 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.938 ' HB2' HD12 ' A' ' 74' ' ' LEU . 1.2 mp -104.93 -174.24 2.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.352 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.583 ' HB3' HD11 ' A' ' 116' ' ' ILE . 8.8 p90 -157.22 149.97 23.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 110.974 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.02 162.5 17.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.725 HG13 ' O ' ' A' ' 70' ' ' LEU . 67.1 t -128.26 108.36 17.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.952 HG23 ' CD2' ' A' ' 101' ' ' HIS . 40.5 mt -88.13 108.16 18.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.407 HG22 ' OG ' ' A' ' 69' ' ' SER . 2.0 p -82.58 -176.27 6.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 110.404 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.85 -21.07 66.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -93.46 17.17 11.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.442 1.089 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 40.66 44.3 1.79 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 8.5 m -77.51 -51.32 10.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.383 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.952 ' CD2' HG23 ' A' ' 95' ' ' ILE . 5.9 m170 76.62 91.06 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.607 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 46.7 m-85 -95.07 117.68 30.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 111.004 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -86.53 126.33 34.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.998 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.57 ' HB ' ' CZ ' ' A' ' 92' ' ' PHE . 22.8 mt -134.88 166.56 28.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.153 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.63 ' HB2' HD23 ' A' ' 91' ' ' LEU . 4.6 tp60 -127.7 151.87 48.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.274 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.668 ' HB1' ' HB3' ' A' ' 111' ' ' GLU . . . -107.53 153.99 22.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.87 -46.04 74.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.967 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.92 162.88 29.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.005 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 4.3 tttt -50.84 -41.41 57.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.271 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -69.48 -52.47 26.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.356 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.668 ' HB3' ' HB1' ' A' ' 106' ' ' ALA . 0.2 OUTLIER -39.62 -39.72 0.78 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.274 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.45 ' HA ' ' HB2' ' A' ' 106' ' ' ALA . 2.7 ttt-85 -60.04 -72.08 0.12 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.504 1.127 . . . . 0.0 110.288 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.421 ' N ' ' HG2' ' A' ' 112' ' ' ARG . . . -39.78 -38.02 0.61 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -68.18 -53.47 24.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.312 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' TRP . . . . . 0.534 ' CD2' ' HG2' ' A' ' 20' ' ' LYS . 55.0 m95 -59.26 -29.81 67.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 108.009 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.583 HD11 ' HB3' ' A' ' 92' ' ' PHE . 53.8 mt -71.95 -77.12 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.332 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 116' ' ' ILE . 2.5 tt0 -37.34 -40.77 0.37 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.089 . . . . 0.0 110.297 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -55.56 -65.32 0.61 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.511 HG23 HD22 ' A' ' 66' ' ' LEU . 81.7 mt -44.95 -56.56 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.512 ' CG ' ' CG1' ' A' ' 71' ' ' VAL . 19.2 mttt -41.51 -52.8 3.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 11.9 mttt -41.09 -60.2 1.28 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.856 ' HB3' ' HB1' ' A' ' 46' ' ' ALA . 0.3 OUTLIER -52.66 -52.07 57.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . 0.655 HG22 ' O ' ' A' ' 66' ' ' LEU . 15.7 p -72.79 177.94 4.51 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 110.354 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 84.3 p -95.55 116.61 29.07 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.133 . . . . 0.0 109.964 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -177.94 -162.13 27.34 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.424 1.077 . . . . 0.0 110.973 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 137.78 22.12 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.476 1.777 . . . . 0.0 110.992 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -170.44 -58.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.019 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 21.9 p -45.43 153.52 0.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.978 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 O-C-N 124.503 1.127 . . . . 0.0 111.025 -179.989 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.415 ' O ' ' N ' ' A' ' 3' ' ' SER . . . . . . . . 0 CA--C 1.529 0.962 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 69.73 -63.1 0.4 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 0.755 . . . . 0.0 109.961 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.415 ' N ' ' O ' ' A' ' 1' ' ' GLY . 86.6 p -41.52 159.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 109.995 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.86 -155.59 1.73 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.536 1.148 . . . . 0.0 111.056 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.1 m 61.42 164.05 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 0.784 . . . . 0.0 109.99 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.7 m -44.61 112.93 0.48 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.008 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.69 -102.75 0.22 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.479 1.112 . . . . 0.0 111.011 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.5 t 63.77 138.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 0.757 . . . . 0.0 110.031 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -112.43 112.5 24.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -177.88 131.87 0.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.038 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 53.0 m -66.12 161.77 21.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.39 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.779 HG13 ' H ' ' A' ' 13' ' ' GLU . 1.9 p -144.12 -68.34 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.143 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.779 ' H ' HG13 ' A' ' 12' ' ' VAL . 70.7 mt-10 -59.05 -45.28 91.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.339 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.56 HD21 ' CD2' ' A' ' 49' ' ' HIS . 1.1 mt -84.95 1.03 49.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.416 ' HB2' ' CA ' ' A' ' 12' ' ' VAL . 0.5 OUTLIER -93.13 52.61 1.82 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.029 179.945 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.428 ' O ' ' NH1' ' A' ' 42' ' ' ARG . . . -127.01 159.36 21.17 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.524 1.14 . . . . 0.0 111.029 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.3 m -72.86 123.25 23.02 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.458 0.74 . . . . 0.0 110.366 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.434 HG13 ' HG3' ' A' ' 21' ' ' GLN . 2.2 t -56.48 124.54 10.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -111.72 -29.7 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.54 ' HG2' ' CD2' ' A' ' 115' ' ' TRP . 3.2 tttt -154.47 143.22 20.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.849 ' NE2' HG23 ' A' ' 40' ' ' VAL . 12.1 mt-30 -146.85 147.92 31.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.29 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 163.04 -173.95 39.3 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.479 1.112 . . . . 0.0 111.031 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.56 ' CE1' ' HB2' ' A' ' 38' ' ' ARG . 83.4 m-85 -112.44 121.84 45.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 0.768 . . . . 0.0 110.979 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.567 ' HB2' ' CD1' ' A' ' 39' ' ' PHE . 17.5 mt -114.88 172.04 7.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.611 ' HB3' ' HB3' ' A' ' 105' ' ' GLN . . . -120.39 112.26 18.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.1 tttt -81.02 142.92 32.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.52 ' HA ' ' CE2' ' A' ' 34' ' ' TRP . 6.8 tt0 -41.41 -58.85 1.74 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.557 1.161 . . . . 0.0 110.317 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.52 ' C ' ' CG ' ' A' ' 29' ' ' HIS . . . 111.44 -146.64 17.84 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.536 1.148 . . . . 0.0 110.974 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.52 ' CG ' ' C ' ' A' ' 28' ' ' GLY . 0.0 OUTLIER -165.28 -70.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 0.782 . . . . 0.0 109.615 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.6 mmtt -121.45 134.71 55.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.344 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.1 ttm180 65.57 146.13 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 110.29 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.44 114.12 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -54.72 -61.48 2.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.545 ' CZ2' HG12 ' A' ' 87' ' ' VAL . 15.9 m95 -139.95 118.16 11.99 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 10.4 tppt? -98.89 148.57 23.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.2 t -88.57 135.13 26.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -138.43 144.71 40.27 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.135 . . . . 0.0 110.289 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.56 ' HB2' ' CE1' ' A' ' 23' ' ' TYR . 0.9 OUTLIER -78.71 105.08 9.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.312 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.567 ' CD1' ' HB2' ' A' ' 24' ' ' LEU . 16.4 m-85 -96.94 136.45 37.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 110.982 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.907 ' O ' HD12 ' A' ' 48' ' ' LEU . 11.2 p -120.17 141.95 38.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.826 ' HG ' HD13 ' A' ' 48' ' ' LEU . 0.6 OUTLIER -117.09 128.2 54.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.253 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.451 ' NH1' ' O ' ' A' ' 14' ' ' LEU . 41.5 mtt-85 -128.34 168.09 16.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 110.333 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 45' ' ' PRO . 0.5 OUTLIER -142.97 147.73 35.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 109.327 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.478 ' N ' ' C ' ' A' ' 45' ' ' PRO . 13.8 t0 48.02 78.31 0.41 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.481 ' CG ' ' O ' ' A' ' 12' ' ' VAL . 18.2 Cg_endo -75.0 172.04 65.04 Favored 'Cis proline' 0 C--N 1.36 1.158 0 C-N-CA 121.014 -2.494 . . . . 0.0 111.011 -0.012 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.814 ' HB1' ' HB3' ' A' ' 122' ' ' LEU . . . -95.31 100.79 12.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.553 ' CE2' ' HB3' ' A' ' 65' ' ' SER . 24.6 m-85 -145.6 166.01 27.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.947 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.931 HD23 ' CZ ' ' A' ' 64' ' ' PHE . 5.0 tp -142.94 113.71 7.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.354 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.56 ' CD2' HD21 ' A' ' 14' ' ' LEU . 63.0 m80 -116.41 165.79 12.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.613 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.484 ' CE1' ' HB ' ' A' ' 61' ' ' VAL . 49.1 p90 -151.36 143.37 23.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.939 ' HA ' HG23 ' A' ' 61' ' ' VAL . 16.6 m-85 -119.3 157.66 27.65 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.478 1.111 . . . . 0.0 111.031 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -88.61 123.48 67.88 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 0.19 9.19 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.511 1.795 . . . . 0.0 111.016 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -103.38 -57.19 2.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 110.017 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.9 mmpt? -60.21 178.09 0.22 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.261 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -145.9 98.99 3.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -152.39 157.37 41.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 110.292 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -90.81 59.31 4.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.6 ttp180 -178.05 158.54 1.18 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 110.309 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.609 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 18.2 Cg_endo -75.03 160.99 39.41 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.45 1.763 . . . . 0.0 111.002 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.939 HG23 ' HA ' ' A' ' 51' ' ' TYR . 3.8 t -77.28 -30.39 17.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.424 ' HA3' ' CZ ' ' A' ' 50' ' ' TYR . . . -158.66 -129.24 1.06 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.475 1.11 . . . . 0.0 111.031 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.464 ' HA3' ' CD2' ' A' ' 49' ' ' HIS . . . 114.2 125.42 4.15 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.931 ' CZ ' HD23 ' A' ' 48' ' ' LEU . 13.1 p90 -119.39 153.48 35.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.453 0.737 . . . . 0.0 110.991 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.553 ' HB3' ' CE2' ' A' ' 47' ' ' PHE . 7.0 p -74.37 117.27 15.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.012 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.506 HD13 HD23 ' A' ' 122' ' ' LEU . 87.7 mt -66.09 -44.48 84.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 66' ' ' LEU . 14.1 mmt-85 -37.55 110.88 0.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.307 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 78.38 49.54 6.7 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.504 1.128 . . . . 0.0 110.995 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 47.2 m -132.63 -174.68 3.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.566 0.803 . . . . 0.0 109.995 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.466 ' N ' ' O ' ' A' ' 95' ' ' ILE . 17.3 tp -154.88 156.1 35.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.499 HG12 ' HG2' ' A' ' 120' ' ' LYS . 4.4 p -141.11 153.1 20.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.2 m -160.63 161.86 32.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.1 . . . . 0.0 109.99 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -105.54 146.81 29.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.304 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.577 HD12 ' HB2' ' A' ' 91' ' ' LEU . 0.2 OUTLIER -99.05 -174.49 2.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.093 . . . . 0.0 109.268 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 76' ' ' ASP . 3.2 mt-10 -124.54 151.23 44.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 110.288 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 75' ' ' GLU . 18.1 t70 -40.53 -72.24 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.268 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 42.8 -163.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.274 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -121.7 85.53 0.38 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.533 1.146 . . . . 0.0 111.003 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.925 HG22 ' HA ' ' A' ' 86' ' ' ASN . 94.7 t 64.52 137.79 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.535 0.785 . . . . 0.0 109.335 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.481 ' HD2' HG13 ' A' ' 79' ' ' VAL . 18.2 Cg_endo -75.0 -65.33 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.43 1.753 . . . . 0.0 110.969 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.437 HG22 ' N ' ' A' ' 82' ' ' GLY . 14.0 m -160.04 -95.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 110.415 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.437 ' N ' HG22 ' A' ' 81' ' ' THR . . . -105.71 74.84 0.23 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.49 1.119 . . . . 0.0 110.981 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.752 HG11 ' CG1' ' A' ' 87' ' ' VAL . 41.6 t -122.31 -72.48 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.504 0.767 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.04 -170.14 0.53 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.422 ' O ' ' CG2' ' A' ' 79' ' ' VAL . . . -40.88 -42.96 3.05 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.471 1.107 . . . . 0.0 110.998 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.925 ' HA ' HG22 ' A' ' 79' ' ' VAL . 8.4 t30 167.47 116.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 0.737 . . . . 0.0 109.275 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.752 ' CG1' HG11 ' A' ' 83' ' ' VAL . 4.9 m -54.6 -172.56 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 94.9 mm-40 -65.73 -88.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 110.252 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.493 ' O ' ' CB ' ' A' ' 90' ' ' ASN . . . 179.94 117.92 0.57 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.502 1.126 . . . . 0.0 111.028 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.493 ' CB ' ' O ' ' A' ' 89' ' ' GLY . 4.1 t30 81.55 -65.19 0.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 0.77 . . . . 0.0 109.341 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.731 HD23 ' HB2' ' A' ' 105' ' ' GLN . 2.1 mp 38.85 -158.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.15 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.589 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 4.3 p90 -164.38 152.27 12.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.993 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.49 ' HE2' HD11 ' A' ' 95' ' ' ILE . 1.2 ptmt -119.17 168.15 11.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.272 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.58 HG11 ' CE2' ' A' ' 64' ' ' PHE . 56.1 t -132.99 100.56 3.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.598 HG23 ' CD2' ' A' ' 101' ' ' HIS . 60.4 mt -84.85 105.43 13.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 73.4 p -82.24 -170.06 2.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.123 . . . . 0.0 110.39 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.16 -14.68 62.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 109.351 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -100.13 12.54 36.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.267 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.577 ' C ' ' CD2' ' A' ' 101' ' ' HIS . 0.5 OUTLIER 46.93 35.69 3.47 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.415 ' O ' ' CB ' ' A' ' 101' ' ' HIS . 55.1 m -65.85 -60.56 2.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 110.428 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.598 ' CD2' HG23 ' A' ' 95' ' ' ILE . 2.7 m170 81.61 93.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.59 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -99.14 101.59 12.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 111.021 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -74.28 126.86 31.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.575 1.172 . . . . 0.0 110.995 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.589 ' HB ' ' CZ ' ' A' ' 92' ' ' PHE . 37.0 mt -136.79 168.3 22.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.316 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.731 ' HB2' HD23 ' A' ' 91' ' ' LEU . 6.2 tp60 -121.73 149.42 43.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 110.283 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.721 ' HB1' ' HB3' ' A' ' 111' ' ' GLU . . . -106.96 169.02 8.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.352 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.87 -33.58 34.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 110.041 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.425 ' O ' ' N ' ' A' ' 111' ' ' GLU . 0.1 OUTLIER -148.21 149.74 32.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.999 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 108' ' ' SER . 0.0 OUTLIER -40.03 -44.31 1.72 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.68 -48.86 73.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.264 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.721 ' HB3' ' HB1' ' A' ' 106' ' ' ALA . 1.0 OUTLIER -42.33 -41.17 2.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.15 . . . . 0.0 110.276 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.629 ' NE ' ' HB3' ' A' ' 106' ' ' ALA . 0.7 OUTLIER -56.83 -74.27 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.095 . . . . 0.0 110.264 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.529 ' O ' ' N ' ' A' ' 117' ' ' GLU . . . -34.23 -53.63 0.49 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.582 ' O ' ' HB2' ' A' ' 118' ' ' ALA . 46.6 mm-40 -53.29 -52.15 60.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.299 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' TRP . . . . . 0.54 ' CD2' ' HG2' ' A' ' 20' ' ' LYS . 63.4 m95 -65.19 -44.69 87.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 108.034 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.402 ' O ' ' C ' ' A' ' 117' ' ' GLU . 62.1 mt -61.86 -77.84 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.335 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.529 ' N ' ' O ' ' A' ' 113' ' ' ALA . 2.7 tt0 -37.19 -46.57 0.72 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 0.0 110.293 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.582 ' HB2' ' O ' ' A' ' 114' ' ' GLU . . . -48.73 -58.29 5.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.472 ' HB ' HG11 ' A' ' 71' ' ' VAL . 24.0 mt -53.74 -54.06 22.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.499 ' HG2' HG12 ' A' ' 71' ' ' VAL . 19.2 mttt -44.82 -41.77 7.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 16.3 mttt -55.86 -61.74 2.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 109.288 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.814 ' HB3' ' HB1' ' A' ' 46' ' ' ALA . 0.3 OUTLIER -45.92 -52.95 10.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.276 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 67.1 p -67.73 179.57 1.36 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 110.387 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 4.5 m -69.91 123.91 22.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.981 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -141.89 171.97 24.26 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.485 1.116 . . . . 0.0 110.995 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 -53.52 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.456 1.766 . . . . 0.0 111.008 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 7.6 t -56.77 112.94 1.45 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.121 . . . . 0.0 110.023 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 56.4 p -101.68 148.16 25.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.977 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 O-C-N 124.469 1.106 . . . . 0.0 110.97 179.979 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 t -153.27 127.72 9.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 0.758 . . . . 0.0 110.016 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.7 m -132.19 161.07 34.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.002 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 151.73 179.85 27.74 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.49 1.119 . . . . 0.0 111.037 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -157.98 149.92 21.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.561 0.8 . . . . 0.0 109.97 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -153.6 160.5 42.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 110.026 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 66.79 169.54 3.67 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.521 1.138 . . . . 0.0 110.969 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.15 105.45 11.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 0.741 . . . . 0.0 110.033 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 81.6 mt -138.93 143.78 38.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.091 . . . . 0.0 109.318 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.3 84.25 2.6 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.105 . . . . 0.0 109.959 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 15.8 m -104.57 159.89 15.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 110.399 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.734 HG13 ' H ' ' A' ' 13' ' ' GLU . 2.4 p -142.98 -64.65 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.734 ' H ' HG13 ' A' ' 12' ' ' VAL . 47.6 mt-10 -58.0 -47.63 82.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 110.244 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.492 HD21 ' CD2' ' A' ' 49' ' ' HIS . 0.5 OUTLIER -85.81 9.28 17.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.27 -179.934 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.82 56.81 0.82 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.971 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -129.28 155.97 21.04 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.517 1.136 . . . . 0.0 110.953 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.0 m -67.56 113.74 5.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 0.777 . . . . 0.0 110.402 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.534 HG13 ' HG3' ' A' ' 21' ' ' GLN . 2.3 t -50.66 119.69 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.466 ' CG1' ' HE2' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -109.65 -27.6 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.113 . . . . 0.0 109.321 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.524 ' HG2' ' CD2' ' A' ' 115' ' ' TRP . 11.3 tptt -153.6 145.85 23.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.534 ' HG3' HG13 ' A' ' 18' ' ' VAL . 28.3 mt-30 -152.92 158.84 42.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.281 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 148.39 -163.54 28.97 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.515 1.135 . . . . 0.0 110.996 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.509 ' CZ ' ' HD3' ' A' ' 38' ' ' ARG . 86.9 m-85 -116.38 134.3 55.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 0.76 . . . . 0.0 110.967 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.591 HD21 ' NE1' ' A' ' 115' ' ' TRP . 23.2 mt -128.09 167.94 16.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.311 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.483 ' HB3' ' HB3' ' A' ' 105' ' ' GLN . . . -118.87 99.57 6.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 20.7 tttt -89.07 140.73 29.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 109.293 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.447 ' HB2' ' CE2' ' A' ' 34' ' ' TRP . 0.1 OUTLIER -108.28 138.2 44.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.309 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -161.93 -122.48 0.62 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.51 1.131 . . . . 0.0 110.982 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -139.49 119.65 13.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 0.777 . . . . 0.0 109.627 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.06 -58.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.74 -54.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.254 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.3 tptt -92.31 134.36 34.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.263 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 68.9 m-20 -43.25 -56.0 3.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.704 ' CZ2' HG11 ' A' ' 87' ' ' VAL . 19.2 m95 -126.71 139.56 53.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 108.021 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -130.13 131.26 45.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.9 t -68.25 138.09 23.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.6 mtm-85 -148.32 140.59 24.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 110.315 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.509 ' HD3' ' CZ ' ' A' ' 23' ' ' TYR . 2.4 ttp85 -77.25 106.61 9.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 0.0 110.286 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.568 ' CD2' ' HB3' ' A' ' 50' ' ' TYR . 13.5 m-85 -96.99 149.53 21.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 110.987 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.768 ' O ' HD12 ' A' ' 48' ' ' LEU . 14.6 p -133.79 137.16 53.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.265 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.833 ' HG ' HD13 ' A' ' 48' ' ' LEU . 0.5 OUTLIER -113.41 138.2 50.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.451 ' NH1' ' CG2' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -141.76 155.6 45.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 110.343 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.466 ' HE2' ' CG1' ' A' ' 19' ' ' VAL . 0.5 OUTLIER -129.68 144.66 51.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.282 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.512 ' N ' ' C ' ' A' ' 45' ' ' PRO . 7.7 t70 53.8 76.41 0.53 Allowed Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.498 1.124 . . . . 0.0 109.334 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.512 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.3 Cg_endo -74.98 171.9 65.73 Favored 'Cis proline' 0 C--N 1.359 1.128 0 C-N-CA 120.987 -2.505 . . . . 0.0 111.024 -0.033 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.466 ' CB ' HD12 ' A' ' 122' ' ' LEU . . . -97.6 92.67 6.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.252 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.419 ' CE2' ' HB3' ' A' ' 65' ' ' SER . 10.5 m-85 -133.5 177.99 7.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.133 . . . . 0.0 110.976 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.833 HD13 ' HG ' ' A' ' 41' ' ' LEU . 12.6 tp -153.71 113.96 3.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.258 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.492 ' CD2' HD21 ' A' ' 14' ' ' LEU . 65.3 m80 -117.62 167.55 11.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.606 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.568 ' HB3' ' CD2' ' A' ' 39' ' ' PHE . 41.6 p90 -156.28 144.01 19.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.989 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.923 ' HA ' HG23 ' A' ' 61' ' ' VAL . 5.6 m-85 -121.93 154.85 36.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.975 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.421 ' HB2' HG21 ' A' ' 61' ' ' VAL . 6.5 t70 -89.89 127.19 54.88 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.418 1.074 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -2.87 13.09 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.491 1.785 . . . . 0.0 111.048 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.1 m -112.72 24.26 12.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.539 1.149 . . . . 0.0 110.008 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.27 177.05 6.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -148.25 85.1 1.52 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.298 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -155.75 148.34 23.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 110.284 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 23.0 m120 -85.09 50.8 2.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.15 154.33 14.52 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 110.325 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.572 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 18.2 Cg_endo -75.05 160.6 39.8 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.49 1.784 . . . . 0.0 111.001 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.923 HG23 ' HA ' ' A' ' 51' ' ' TYR . 4.4 t -77.55 -31.37 17.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.406 ' HA3' ' CZ ' ' A' ' 50' ' ' TYR . . . -157.8 -126.94 0.92 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.512 1.132 . . . . 0.0 110.979 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.414 ' HA3' ' CD2' ' A' ' 49' ' ' HIS . . . 111.93 121.71 4.04 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.014 -0.835 . . . . 0.0 111.014 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.8 ' CZ ' HD23 ' A' ' 48' ' ' LEU . 8.2 p90 -118.82 150.65 39.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 0.771 . . . . 0.0 111.001 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.419 ' HB3' ' CE2' ' A' ' 47' ' ' PHE . 11.4 p -74.56 126.91 31.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.105 . . . . 0.0 109.982 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.465 HD12 ' HG ' ' A' ' 122' ' ' LEU . 21.7 mt -73.73 -32.54 63.92 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.145 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 53.9 mmt-85 -46.45 96.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 110.283 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 66' ' ' LEU . . . 96.04 32.31 6.85 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.433 1.083 . . . . 0.0 110.991 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 66' ' ' LEU . 97.7 p -114.45 -176.23 2.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 0.74 . . . . 0.0 110.018 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.933 HD13 ' N ' ' A' ' 71' ' ' VAL . 3.4 tm? -153.48 153.4 32.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.933 ' N ' HD13 ' A' ' 70' ' ' LEU . 5.9 p -136.4 139.81 44.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.243 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 33.8 m -153.47 155.12 35.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 109.964 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -93.44 152.03 19.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.708 HD12 ' HB2' ' A' ' 91' ' ' LEU . 1.5 mt -90.79 163.05 14.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.344 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -73.19 166.8 22.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 110.294 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.45 -53.53 9.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 53.1 m-20 -115.22 164.77 13.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 94.39 128.45 5.23 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.513 1.133 . . . . 0.0 110.982 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 79.9 t -58.75 127.08 82.14 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.508 0.77 . . . . 0.0 109.271 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.471 ' HG2' ' CB ' ' A' ' 83' ' ' VAL . 18.1 Cg_endo -75.03 172.34 16.57 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.538 1.809 . . . . 0.0 110.981 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.428 ' O ' HG23 ' A' ' 83' ' ' VAL . 17.3 m -63.75 118.82 8.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.432 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 46.62 80.88 0.05 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.531 1.144 . . . . 0.0 110.976 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.471 ' CB ' ' HG2' ' A' ' 80' ' ' PRO . 59.9 t -152.38 109.52 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.491 0.76 . . . . 0.0 109.297 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 9.8 mmtt -75.85 82.52 2.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 115.0 90.02 1.68 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.504 1.128 . . . . 0.0 111.031 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.417 ' N ' ' OD1' ' A' ' 86' ' ' ASN . 5.9 p-10 -40.95 102.66 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 0.75 . . . . 0.0 109.316 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.704 HG11 ' CZ2' ' A' ' 34' ' ' TRP . 4.0 m -65.21 -179.72 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.588 ' C ' HD11 ' A' ' 91' ' ' LEU . 2.8 pt20 -161.94 157.9 24.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.163 . . . . 0.0 110.259 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 116.94 35.36 1.14 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.569 1.168 . . . . 0.0 111.006 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.401 ' O ' ' NE ' ' A' ' 112' ' ' ARG . 12.7 m-20 43.72 53.53 5.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 0.744 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.8 HD23 ' HB2' ' A' ' 105' ' ' GLN . 1.3 mp -75.13 -166.45 0.5 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.325 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.554 ' CD1' ' HD3' ' A' ' 112' ' ' ARG . 13.1 p90 -161.72 171.55 17.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.985 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.489 ' NZ ' HD11 ' A' ' 95' ' ' ILE . 0.0 OUTLIER -137.31 164.01 29.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.407 ' HA ' ' O ' ' A' ' 70' ' ' LEU . 72.6 t -122.86 111.93 31.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.606 HG23 ' CD2' ' A' ' 101' ' ' HIS . 77.5 mt -90.82 106.64 17.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 47.3 p -80.96 -179.06 7.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.434 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.08 -12.27 48.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -100.97 13.61 34.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.437 ' C ' ' CD2' ' A' ' 101' ' ' HIS . 1.7 m-20 43.87 42.33 4.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 15.9 m -73.62 -51.09 17.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.427 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.606 ' CD2' HG23 ' A' ' 95' ' ' ILE . 4.9 m170 77.44 84.79 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.61 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -91.8 108.46 19.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.949 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.46 ' CE2' HG21 ' A' ' 83' ' ' VAL . 7.1 m-85 -75.35 131.34 40.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 111.026 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.489 ' HB ' ' CZ ' ' A' ' 92' ' ' PHE . 60.7 mt -135.47 164.46 32.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.8 ' HB2' HD23 ' A' ' 91' ' ' LEU . 38.9 tt0 -134.61 146.37 49.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.315 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.608 ' HB2' ' HA ' ' A' ' 112' ' ' ARG . . . -103.21 170.23 8.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.253 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -85.21 -45.69 11.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 110.028 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.7 m -121.35 147.98 44.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 109.962 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.65 -53.87 2.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.256 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -60.23 -49.74 76.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.547 ' HB3' ' HB1' ' A' ' 106' ' ' ALA . 0.5 OUTLIER -43.49 -39.73 3.5 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.451 1.094 . . . . 0.0 110.318 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.64 HH11 ' N ' ' A' ' 113' ' ' ALA . 0.0 OUTLIER -62.52 -70.22 0.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 110.282 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.64 ' N ' HH11 ' A' ' 112' ' ' ARG . . . -44.7 -38.6 4.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -54.32 -68.29 0.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 110.325 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' TRP . . . . . 0.591 ' NE1' HD21 ' A' ' 24' ' ' LEU . 79.2 m95 -46.23 -45.05 16.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 108.029 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.462 HD11 ' CD ' ' A' ' 112' ' ' ARG . 37.2 mt -52.56 -76.63 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.344 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -42.01 -41.93 2.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.308 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.407 ' HB3' ' O ' ' A' ' 115' ' ' TRP . . . -54.98 -65.18 0.63 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.425 HG23 HD22 ' A' ' 66' ' ' LEU . 87.6 mt -44.61 -56.07 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.479 ' HG2' ' CG1' ' A' ' 71' ' ' VAL . 21.6 mttt -40.93 -54.77 2.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 17.6 mttt -41.07 -60.01 1.33 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.466 HD12 ' CB ' ' A' ' 46' ' ' ALA . 0.8 OUTLIER -49.39 -55.52 12.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.265 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . 0.459 HG22 ' HG ' ' A' ' 69' ' ' SER . 69.0 p -66.09 71.44 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.429 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 122' ' ' LEU . 0.5 OUTLIER 46.98 86.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 110.01 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -142.57 125.52 2.66 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.518 1.136 . . . . 0.0 111.041 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 156.26 42.95 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.495 1.787 . . . . 0.0 111.005 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 3.1 m -92.5 135.44 34.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 110.013 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -71.93 154.11 41.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.998 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.459 1.099 . . . . 0.0 110.979 179.998 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.9 m -73.54 122.28 21.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 0.757 . . . . 0.0 110.023 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -140.28 -58.42 0.54 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.546 1.154 . . . . 0.0 110.011 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.54 136.59 24.88 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.503 1.127 . . . . 0.0 111.014 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.34 103.95 14.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 0.79 . . . . 0.0 109.985 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.31 106.58 0.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.966 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -91.06 -154.07 30.13 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.502 1.126 . . . . 0.0 111.015 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -116.17 97.84 6.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 0.778 . . . . 0.0 110.007 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -134.06 77.92 1.73 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.261 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 57.51 108.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.975 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.455 ' CG2' ' HB2' ' A' ' 14' ' ' LEU . 1.5 m 69.08 142.86 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 110.41 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.775 HG13 ' H ' ' A' ' 13' ' ' GLU . 1.7 p -145.16 -68.06 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.318 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.775 ' H ' HG13 ' A' ' 12' ' ' VAL . 72.4 mt-10 -64.7 -34.71 78.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.285 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.608 HD12 ' N ' ' A' ' 14' ' ' LEU . 2.4 mp -81.63 -9.73 59.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 109.313 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.36 61.84 5.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.148 . . . . 0.0 110.002 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -132.98 157.54 22.69 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.525 1.141 . . . . 0.0 111.037 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.4 m -67.72 119.49 12.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 0.771 . . . . 0.0 110.403 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.459 HG13 ' HG3' ' A' ' 21' ' ' GLN . 2.2 t -59.38 124.28 13.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 0.0 109.335 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.507 HG13 ' HG2' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -112.41 -32.01 2.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 0.0 109.297 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.517 ' HG2' ' CD2' ' A' ' 115' ' ' TRP . 5.0 tptt -151.09 141.19 22.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.331 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.682 ' NE2' HG23 ' A' ' 40' ' ' VAL . 7.1 mt-30 -145.58 153.72 41.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.117 . . . . 0.0 110.278 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 156.43 -163.93 32.27 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.541 1.151 . . . . 0.0 111.025 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.449 ' CE1' ' HB2' ' A' ' 38' ' ' ARG . 82.2 m-85 -118.76 126.15 51.21 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.548 0.793 . . . . 0.0 111.01 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.613 HD12 ' CG ' ' A' ' 39' ' ' PHE . 25.1 mt -117.64 169.24 9.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.763 ' HB3' ' HB3' ' A' ' 105' ' ' GLN . . . -117.22 106.51 13.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 25.8 tttm -87.9 108.78 19.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.142 . . . . 0.0 109.302 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.48 ' HG3' ' CE2' ' A' ' 34' ' ' TRP . 0.0 OUTLIER -59.26 144.15 47.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.436 1.085 . . . . 0.0 110.3 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -148.91 -145.72 4.19 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.515 1.135 . . . . 0.0 111.003 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -141.36 135.22 30.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 0.776 . . . . 0.0 109.556 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 73.7 148.63 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.573 1.171 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.2 mtt180 53.0 82.67 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.289 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.0 mmtp 68.08 143.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 32.6 m-20 -78.96 -49.2 13.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.312 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.48 ' CE2' ' HG3' ' A' ' 27' ' ' GLN . 82.1 m95 -113.67 113.87 25.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 108.031 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.13 122.45 42.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.152 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.6 t -73.18 142.57 14.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.447 ' HD2' HG21 ' A' ' 61' ' ' VAL . 1.5 tpp180 -152.05 152.29 32.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.58 1.175 . . . . 0.0 110.315 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.47 ' O ' ' HA ' ' A' ' 50' ' ' TYR . 0.5 OUTLIER -83.18 103.3 12.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 110.285 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.613 ' CG ' HD12 ' A' ' 24' ' ' LEU . 11.2 m-85 -96.46 138.06 34.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.449 1.093 . . . . 0.0 111.005 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.917 HG12 ' O ' ' A' ' 49' ' ' HIS . 14.6 p -122.64 136.45 59.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.66 ' HG ' HD13 ' A' ' 48' ' ' LEU . 0.5 OUTLIER -109.58 119.32 39.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 109.326 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.417 ' NH1' ' HB3' ' A' ' 14' ' ' LEU . 46.5 mtt180 -119.95 155.57 32.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.117 . . . . 0.0 110.294 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.523 ' CB ' HD11 ' A' ' 122' ' ' LEU . 0.4 OUTLIER -136.29 144.71 44.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.483 ' N ' ' C ' ' A' ' 45' ' ' PRO . 0.2 OUTLIER 47.92 78.05 0.42 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.262 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.483 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.3 Cg_endo -75.01 171.84 66.06 Favored 'Cis proline' 0 C--N 1.36 1.146 0 C-N-CA 120.997 -2.501 . . . . 0.0 111.012 0.001 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.63 ' HB2' HD12 ' A' ' 122' ' ' LEU . . . -98.15 105.48 17.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 109.258 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.518 ' CG ' ' HB3' ' A' ' 13' ' ' GLU . 21.0 m-85 -153.29 148.59 26.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 110.974 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.77 HD12 ' O ' ' A' ' 40' ' ' VAL . 9.4 tp -123.61 113.82 19.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 109.337 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.917 ' O ' HG12 ' A' ' 40' ' ' VAL . 75.5 m80 -121.99 153.23 38.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 109.627 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.47 ' HA ' ' O ' ' A' ' 38' ' ' ARG . 22.7 p90 -139.04 149.22 44.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.568 1.167 . . . . 0.0 110.97 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.826 ' HA ' HG23 ' A' ' 61' ' ' VAL . 23.7 m-85 -124.17 155.12 39.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 110.973 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.442 ' OD2' ' N ' ' A' ' 55' ' ' LYS . 21.4 t0 -80.4 126.68 78.23 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.286 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 1.51 7.67 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.514 1.797 . . . . 0.0 110.976 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.0 m -104.83 -47.82 3.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.976 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.442 ' N ' ' OD2' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -70.74 -177.06 1.46 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -156.98 97.45 1.68 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 110.312 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -161.17 150.0 16.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.125 . . . . 0.0 110.262 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -76.54 62.94 1.98 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.494 ' CD ' ' HD2' ' A' ' 60' ' ' PRO . 0.0 OUTLIER -171.54 140.49 1.21 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.315 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.547 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 18.4 Cg_endo -74.98 157.22 42.97 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.501 1.79 . . . . 0.0 111.046 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.826 HG23 ' HA ' ' A' ' 51' ' ' TYR . 2.3 t -67.71 -26.08 34.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -166.5 -111.77 0.25 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.454 1.096 . . . . 0.0 111.017 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 100.3 131.81 7.51 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.825 ' CE2' HG11 ' A' ' 94' ' ' VAL . 30.9 p90 -127.96 156.44 42.66 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 0.79 . . . . 0.0 110.992 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 20.8 p -63.08 165.57 6.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.548 1.155 . . . . 0.0 109.999 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.806 ' O ' HG22 ' A' ' 123' ' ' THR . 54.3 mt -119.89 -39.45 2.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 109.263 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.453 ' NH1' ' O ' ' A' ' 122' ' ' LEU . 0.0 OUTLIER -42.04 -59.04 1.88 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 110.259 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -98.28 54.94 1.12 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 19.6 m -145.05 -176.74 5.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 0.736 . . . . 0.0 110.024 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.607 HD22 HD12 ' A' ' 95' ' ' ILE . 1.8 tt -153.21 158.3 41.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.615 HG13 ' HD2' ' A' ' 120' ' ' LYS . 7.6 p -133.14 153.1 36.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 74.0 m -162.08 155.59 20.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.977 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -92.55 158.8 15.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.816 HD12 ' HB2' ' A' ' 91' ' ' LEU . 6.7 mt -104.99 150.12 25.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.27 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 174.42 122.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.254 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -179.19 65.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.5 t30 74.23 -67.22 0.27 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.428 1.08 . . . . 0.0 109.262 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -156.9 -75.99 0.02 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.473 1.108 . . . . 0.0 110.978 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.418 HG13 ' HD2' ' A' ' 80' ' ' PRO . 68.0 t -68.25 135.22 91.24 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.528 0.781 . . . . 0.0 109.348 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.418 ' HD2' HG13 ' A' ' 79' ' ' VAL . 18.3 Cg_endo -75.02 -68.69 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.493 1.786 . . . . 0.0 110.987 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.7 m -153.48 -77.82 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 110.42 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -112.59 65.5 0.26 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.5 1.125 . . . . 0.0 111.013 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.405 HG13 ' NE2' ' A' ' 27' ' ' GLN . 79.7 t -139.18 99.24 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.44 0.729 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.05 154.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 62.24 -95.27 0.11 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.506 1.129 . . . . 0.0 111.011 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 5.1 p30 171.5 138.13 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 0.768 . . . . 0.0 109.315 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.584 ' HB ' HD13 ' A' ' 91' ' ' LEU . 21.3 m -60.08 177.11 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.442 1.089 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 50.0 mm-40 -70.17 -80.21 0.05 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.102 . . . . 0.0 110.306 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.559 ' H ' HD11 ' A' ' 91' ' ' LEU . . . 167.07 152.37 7.36 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.473 1.108 . . . . 0.0 110.997 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 62.6 m-80 47.66 54.61 9.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 0.749 . . . . 0.0 109.319 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.816 ' HB2' HD12 ' A' ' 74' ' ' LEU . 1.1 mp -105.14 -169.78 1.66 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.608 ' HB3' HD11 ' A' ' 116' ' ' ILE . 8.9 p90 -161.62 154.97 21.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 110.964 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.679 ' NZ ' HD11 ' A' ' 95' ' ' ILE . 0.0 OUTLIER -123.13 164.91 17.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.327 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.825 HG11 ' CE2' ' A' ' 64' ' ' PHE . 58.1 t -129.31 117.03 42.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.679 HD11 ' NZ ' ' A' ' 93' ' ' LYS . 11.2 mt -95.61 108.84 21.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 18.8 p -83.46 179.03 7.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.417 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.93 -19.44 51.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.38 10.49 17.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 33.4 t70 55.9 31.66 18.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.11 . . . . 0.0 109.304 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 60.1 m -97.03 120.28 37.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.4 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.569 ' CD2' HG12 ' A' ' 95' ' ' ILE . 15.4 m170 -86.95 109.38 19.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 109.658 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.401 ' O ' ' HA ' ' A' ' 93' ' ' LYS . 48.8 m-85 -98.11 102.92 14.8 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 1.132 . . . . 0.0 111.013 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -73.82 123.36 24.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 111.04 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.53 ' HB ' ' CZ ' ' A' ' 92' ' ' PHE . 47.6 mt -133.86 146.59 31.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.763 ' HB3' ' HB3' ' A' ' 25' ' ' ALA . 47.7 tt0 -105.9 146.71 29.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.288 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.509 ' HB1' ' HB3' ' A' ' 111' ' ' GLU . . . -102.75 155.71 18.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 14.7 t -53.11 -50.85 63.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 109.99 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -134.46 -178.84 5.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.998 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.21 -31.69 72.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -77.7 -50.42 12.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.509 ' HB3' ' HB1' ' A' ' 106' ' ' ALA . 0.6 OUTLIER -45.18 -37.98 4.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 110.29 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.443 ' HG2' HD12 ' A' ' 116' ' ' ILE . 3.1 ttp180 -58.67 -68.48 0.26 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 110.321 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -45.28 -42.24 9.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -64.19 -53.14 54.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 110.299 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' TRP . . . . . 0.517 ' CD2' ' HG2' ' A' ' 20' ' ' LYS . 55.7 m95 -58.6 -32.18 68.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 108.027 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.608 HD11 ' HB3' ' A' ' 92' ' ' PHE . 75.5 mt -74.64 -75.85 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 116' ' ' ILE . 2.3 tt0 -34.76 -43.69 0.19 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 110.318 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.467 ' HB1' HD13 ' A' ' 41' ' ' LEU . . . -54.72 -63.75 1.05 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.332 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.547 HG21 ' HB ' ' A' ' 71' ' ' VAL . 38.8 mt -43.75 -59.84 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.615 ' HD2' HG13 ' A' ' 71' ' ' VAL . 0.0 OUTLIER -38.87 -49.12 1.63 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.327 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -49.31 -60.87 2.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 109.311 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.63 HD12 ' HB2' ' A' ' 46' ' ' ALA . 1.1 mm? -50.08 -56.68 9.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.284 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . 0.806 HG22 ' O ' ' A' ' 66' ' ' LEU . 23.0 p -74.01 84.3 1.77 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 110.377 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . 0.415 ' CB ' ' O ' ' A' ' 123' ' ' THR . 0.2 OUTLIER 79.8 101.3 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.98 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 164.47 70.33 0.02 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.444 1.09 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 109.4 2.92 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.517 1.798 . . . . 0.0 111.004 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.6 m 56.77 93.93 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 110.032 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 24.9 p -157.5 -54.65 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.103 . . . . 0.0 109.976 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.526 1.141 . . . . 0.0 111.003 179.998 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 64.87 145.35 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 0.752 . . . . 0.0 109.988 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.5 p -102.01 134.38 45.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 110.004 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 116.37 129.47 4.39 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.491 1.119 . . . . 0.0 111.01 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.45 150.94 0.45 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 0.797 . . . . 0.0 109.992 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -156.92 121.0 4.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.993 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.35 -172.48 28.76 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.546 1.154 . . . . 0.0 111.005 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.4 m 54.75 96.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 0.793 . . . . 0.0 109.991 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -147.26 106.3 3.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 38.1 m -48.03 102.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.988 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.433 ' CG2' ' HB2' ' A' ' 14' ' ' LEU . 4.4 m -42.64 161.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 110.419 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.764 HG13 ' H ' ' A' ' 13' ' ' GLU . 1.1 p -147.25 -75.21 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.764 ' H ' HG13 ' A' ' 12' ' ' VAL . 41.0 mt-10 -61.77 -42.48 99.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.338 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.688 HD21 ' CG ' ' A' ' 49' ' ' HIS . 5.7 mt -80.91 -6.75 59.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.15 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 13.7 p -88.53 48.36 1.62 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 110.012 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -121.04 155.81 16.25 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.507 1.129 . . . . 0.0 110.997 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.406 ' O ' ' HA ' ' A' ' 42' ' ' ARG . 5.8 m -70.16 128.21 35.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 0.737 . . . . 0.0 110.383 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.482 HG13 ' HG3' ' A' ' 21' ' ' GLN . 2.1 t -62.5 121.46 11.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.402 ' CG1' ' HE2' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -111.97 -31.71 2.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.534 ' HG2' ' CD2' ' A' ' 115' ' ' TRP . 2.5 tptt -149.51 141.17 23.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.842 ' NE2' HG23 ' A' ' 40' ' ' VAL . 6.4 mt-30 -146.99 151.36 36.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.288 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 156.57 -177.84 33.33 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.502 1.127 . . . . 0.0 111.016 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.472 ' CZ ' ' HD3' ' A' ' 38' ' ' ARG . 42.5 m-85 -106.86 134.46 49.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.564 0.803 . . . . 0.0 111.025 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.652 HD22 ' O ' ' A' ' 105' ' ' GLN . 15.4 mt -127.49 172.48 10.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.335 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.471 ' HB3' ' HB3' ' A' ' 105' ' ' GLN . . . -115.27 102.03 9.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 53.1 tttt -90.29 104.38 16.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.107 . . . . 0.0 109.314 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.803 HE22 HG22 ' A' ' 83' ' ' VAL . 4.2 tt0 -45.3 -60.39 2.16 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.519 1.137 . . . . 0.0 110.269 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 45.88 71.18 0.53 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.452 1.095 . . . . 0.0 110.973 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.427 ' CD2' ' C ' ' A' ' 29' ' ' HIS . 7.0 t-160 -49.17 110.68 0.39 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 0.776 . . . . 0.0 109.578 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.82 -44.24 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.332 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.419 ' NH1' ' HB3' ' A' ' 31' ' ' ARG . 1.7 mtp-105 -157.92 -55.12 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 110.285 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.69 121.83 33.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.463 ' O ' ' CD1' ' A' ' 34' ' ' TRP . 25.6 m120 -44.16 -54.66 5.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.324 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.592 ' CE2' ' CG1' ' A' ' 87' ' ' VAL . 39.3 m95 -147.3 135.01 21.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 108.014 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.16 135.37 39.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.1 t -65.09 141.18 18.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 109.276 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.45 ' HB2' ' NH1' ' A' ' 37' ' ' ARG . 0.0 OUTLIER -147.69 134.57 20.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 110.274 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.472 ' HD3' ' CZ ' ' A' ' 23' ' ' TYR . 0.2 OUTLIER -75.33 103.86 5.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 110.302 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.497 ' CG ' HD12 ' A' ' 24' ' ' LEU . 12.6 m-85 -97.26 134.45 40.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 110.989 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 1.02 ' O ' HD12 ' A' ' 48' ' ' LEU . 12.0 p -118.76 141.04 40.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.34 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.82 ' HG ' HD13 ' A' ' 48' ' ' LEU . 0.4 OUTLIER -115.97 133.83 55.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.406 ' HA ' ' O ' ' A' ' 17' ' ' THR . 75.4 mtt-85 -133.33 173.26 11.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 45' ' ' PRO . 2.0 pttt -149.65 143.64 25.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.296 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.493 ' N ' ' C ' ' A' ' 45' ' ' PRO . 15.2 t0 50.55 77.14 0.48 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 109.321 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.493 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.1 Cg_endo -75.07 171.49 67.83 Favored 'Cis proline' 0 C--N 1.36 1.133 0 C-N-CA 121.017 -2.493 . . . . 0.0 110.98 0.056 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.58 ' CB ' HD12 ' A' ' 122' ' ' LEU . . . -97.71 105.67 17.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.357 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.528 ' CE2' ' OE1' ' A' ' 13' ' ' GLU . 25.8 m-85 -152.45 167.82 27.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 111.005 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 1.02 HD12 ' O ' ' A' ' 40' ' ' VAL . 5.7 tp -142.23 113.64 7.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.72 ' O ' HG12 ' A' ' 40' ' ' VAL . 54.3 m80 -116.23 165.3 13.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.609 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.624 ' C ' ' CD1' ' A' ' 51' ' ' TYR . 4.1 p90 -145.48 -175.31 4.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.984 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.855 ' HA ' HG23 ' A' ' 61' ' ' VAL . 29.5 m-85 -157.94 148.35 20.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 111.036 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -82.28 122.5 79.29 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -11.78 21.41 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.502 1.79 . . . . 0.0 111.006 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 18.0 t -80.4 -28.99 37.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 110.027 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.5 mmtp -97.87 -172.08 2.3 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.436 1.085 . . . . 0.0 109.298 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -150.91 99.09 2.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 110.262 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -155.71 163.58 39.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.306 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -95.53 23.11 6.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 18.7 mmt85 -129.86 145.8 58.65 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 110.295 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.611 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 18.4 Cg_endo -74.95 159.81 41.07 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.481 1.779 . . . . 0.0 111.002 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.855 HG23 ' HA ' ' A' ' 51' ' ' TYR . 2.8 t -75.32 -30.37 22.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.354 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -163.81 -117.07 0.4 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.471 1.107 . . . . 0.0 111.024 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.421 ' HA3' ' CD2' ' A' ' 49' ' ' HIS . . . 114.22 129.38 4.81 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.635 ' CE1' HD23 ' A' ' 48' ' ' LEU . 16.5 p90 -123.64 162.11 23.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 0.771 . . . . 0.0 111.016 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.3 p -74.82 156.54 36.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 109.997 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.69 ' O ' HG22 ' A' ' 123' ' ' THR . 54.2 mt -108.98 -36.42 6.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.2 OUTLIER -37.84 -70.44 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.308 179.929 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -90.73 53.36 3.36 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.518 1.136 . . . . 0.0 111.02 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 36.8 m -132.82 -174.96 3.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 0.76 . . . . 0.0 110.016 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.993 HD13 ' N ' ' A' ' 71' ' ' VAL . 3.2 tm? -155.74 154.7 31.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.993 ' N ' HD13 ' A' ' 70' ' ' LEU . 7.5 p -138.39 140.39 39.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.9 m -148.86 164.7 33.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.011 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -100.33 160.53 14.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.79 HD12 ' HB2' ' A' ' 91' ' ' LEU . 2.4 mt -103.97 136.27 43.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 109.284 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -172.81 174.73 3.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.305 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 70.84 -61.85 0.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.312 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -91.4 126.54 36.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 109.286 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -60.68 -95.88 0.01 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.499 1.124 . . . . 0.0 111.039 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.692 HG22 ' HB2' ' A' ' 86' ' ' ASN . 72.2 t -75.93 137.81 69.42 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.517 0.775 . . . . 0.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.892 ' HG2' HG21 ' A' ' 83' ' ' VAL . 18.2 Cg_endo -75.01 -177.81 3.73 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.478 1.778 . . . . 0.0 110.989 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 83' ' ' VAL . 7.2 m -49.7 124.46 9.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.405 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.409 ' O ' ' O ' ' A' ' 83' ' ' VAL . . . 51.88 -89.06 0.01 OUTLIER Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.474 1.109 . . . . 0.0 111.015 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.892 HG21 ' HG2' ' A' ' 80' ' ' PRO . 6.9 t 41.51 91.18 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.467 0.745 . . . . 0.0 109.288 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 83' ' ' VAL . 12.2 mmtt -38.89 -61.42 0.74 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -67.58 -145.57 0.1 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.521 1.138 . . . . 0.0 110.966 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.692 ' HB2' HG22 ' A' ' 79' ' ' VAL . 4.3 p30 175.79 107.04 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.565 0.803 . . . . 0.0 109.333 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.592 ' CG1' ' CE2' ' A' ' 34' ' ' TRP . 6.8 m -87.97 -172.26 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.329 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.629 ' O ' HD11 ' A' ' 91' ' ' LEU . 2.3 pp0? -162.89 -171.9 2.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.313 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 92.98 -71.98 1.42 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.47 1.107 . . . . 0.0 110.996 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.408 ' HB3' ' NH1' ' A' ' 112' ' ' ARG . 11.7 m120 -170.87 -62.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 0.773 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.79 ' HB2' HD12 ' A' ' 74' ' ' LEU . 1.1 mp 51.54 -176.05 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.611 ' HB3' HD11 ' A' ' 116' ' ' ILE . 37.9 p90 -163.2 160.28 23.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 111.023 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.75 159.4 26.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.512 HG11 ' CE2' ' A' ' 64' ' ' PHE . 59.1 t -129.51 113.73 28.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.573 HG12 ' CD2' ' A' ' 101' ' ' HIS . 12.9 mt -92.56 103.79 14.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.265 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 81.1 p -81.51 177.01 9.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.421 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.89 -19.05 10.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -89.19 15.29 9.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 51.14 23.59 1.64 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.1 . . . . 0.0 109.331 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 89.0 m -88.71 122.12 31.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.379 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.573 ' CD2' HG12 ' A' ' 95' ' ' ILE . 15.1 m170 -88.9 105.79 17.98 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.546 1.154 . . . . 0.0 109.569 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 -94.91 101.96 13.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.569 1.168 . . . . 0.0 110.99 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -77.66 121.23 23.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.934 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.518 HG22 ' N ' ' A' ' 105' ' ' GLN . 61.4 mt -126.37 166.64 22.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.652 ' O ' HD22 ' A' ' 24' ' ' LEU . 16.9 tt0 -121.29 148.95 43.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.327 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.494 ' HB1' ' HB3' ' A' ' 111' ' ' GLU . . . -112.66 157.22 21.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.02 -51.98 62.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 109.984 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -134.37 -175.96 4.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 110.012 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.19 -36.71 84.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -72.93 -51.51 18.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.494 ' HB3' ' HB1' ' A' ' 106' ' ' ALA . 1.2 tp10 -45.09 -36.54 3.67 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 110.338 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.434 ' HA ' ' HB2' ' A' ' 106' ' ' ALA . 17.5 ttp180 -59.3 -67.88 0.33 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 110.319 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 117' ' ' GLU . . . -46.44 -45.67 18.28 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -49.51 -57.86 6.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 110.3 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' TRP . . . . . 0.534 ' CD2' ' HG2' ' A' ' 20' ' ' LYS . 72.9 m95 -59.62 -45.67 91.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 108.039 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.611 HD11 ' HB3' ' A' ' 92' ' ' PHE . 42.5 mt -56.17 -77.59 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 113' ' ' ALA . 2.2 tt0 -39.66 -41.32 1.04 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 110.307 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.407 ' HB3' ' O ' ' A' ' 115' ' ' TRP . . . -54.24 -56.5 17.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 10.4 mt -57.04 -51.85 63.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.496 ' CG ' ' CG1' ' A' ' 71' ' ' VAL . 19.3 mttt -44.79 -36.37 3.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.132 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.445 ' CG ' ' O ' ' A' ' 117' ' ' GLU . 11.3 mttt -60.64 -61.04 2.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.293 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.58 HD12 ' CB ' ' A' ' 46' ' ' ALA . 0.8 OUTLIER -47.39 -58.84 3.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.112 . . . . 0.0 109.271 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . 0.69 HG22 ' O ' ' A' ' 66' ' ' LEU . 43.1 p -54.97 -39.6 69.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.438 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 4.8 t 167.22 96.4 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 109.995 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . 0.43 ' CA ' ' HA ' ' A' ' 121' ' ' LYS . . . -97.42 122.43 7.45 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.528 1.143 . . . . 0.0 110.989 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 164.52 33.17 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.511 1.795 . . . . 0.0 111.005 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 99.0 p -76.68 121.99 24.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.981 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 57.76 169.77 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 110.007 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 O-C-N 124.483 1.114 . . . . 0.0 110.987 179.994 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.66 127.98 33.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 0.762 . . . . 0.0 110.022 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.8 p -113.89 157.42 22.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.983 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.06 176.88 17.01 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.3 t -175.38 156.99 2.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 0.756 . . . . 0.0 109.982 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.63 -58.72 0.29 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 109.985 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 117.04 143.57 7.61 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.478 1.111 . . . . 0.0 111.01 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -174.89 -58.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 0.787 . . . . 0.0 109.99 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 62.77 58.71 1.52 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.9 t -164.51 102.7 0.82 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.008 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 63.8 m -92.24 166.31 12.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 110.373 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.72 HG13 ' H ' ' A' ' 13' ' ' GLU . 0.7 OUTLIER -148.14 -76.47 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.72 ' H ' HG13 ' A' ' 12' ' ' VAL . 43.9 mt-10 -55.69 -43.52 76.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.323 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.446 ' O ' ' NH1' ' A' ' 42' ' ' ARG . 0.9 OUTLIER -84.38 -13.29 52.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 9.4 t -81.63 62.35 5.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.437 1.086 . . . . 0.0 109.996 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.404 ' HA2' ' O ' ' A' ' 44' ' ' ASP . . . -141.55 170.47 24.74 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.526 1.141 . . . . 0.0 110.98 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.475 ' CB ' ' HD3' ' A' ' 43' ' ' LYS . 6.6 m -76.84 144.33 39.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 0.769 . . . . 0.0 110.369 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.418 HG13 ' HG3' ' A' ' 21' ' ' GLN . 2.1 t -80.43 128.59 38.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.289 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.72 HG13 ' CE ' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -111.31 -43.45 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.315 179.928 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.537 ' HG2' ' CD2' ' A' ' 115' ' ' TRP . 4.3 tptt -144.96 140.52 28.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.764 ' HG2' HG23 ' A' ' 40' ' ' VAL . 30.6 mt-30 -145.23 148.95 34.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.433 1.083 . . . . 0.0 110.302 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 162.85 -160.15 32.57 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.446 1.091 . . . . 0.0 110.993 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.554 ' CE2' ' HB2' ' A' ' 38' ' ' ARG . 68.9 m-85 -119.77 121.5 39.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 0.762 . . . . 0.0 111.015 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.688 HD22 ' O ' ' A' ' 105' ' ' GLN . 39.6 mt -114.18 169.45 9.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.634 ' HB3' ' HB3' ' A' ' 105' ' ' GLN . . . -118.5 106.35 12.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 109.25 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 60.8 tttt -88.67 113.98 24.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.516 ' HB2' ' CE2' ' A' ' 34' ' ' TRP . 42.7 tt0 -41.71 121.67 1.8 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 110.268 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.55 -44.41 96.61 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.501 1.126 . . . . 0.0 111.006 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 7.6 t-160 73.33 -71.73 0.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 0.778 . . . . 0.0 109.552 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 31' ' ' ARG . 1.4 tptt -97.53 -70.67 0.71 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.143 . . . . 0.0 109.318 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -38.6 -58.94 0.98 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 0.0 110.284 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.89 -171.32 3.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.113 . . . . 0.0 109.266 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.431 ' O ' ' CD1' ' A' ' 34' ' ' TRP . 69.7 m-80 -72.73 -67.64 0.54 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.312 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.516 ' CE2' ' HB2' ' A' ' 27' ' ' GLN . 24.6 m95 -144.18 129.52 18.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 108.051 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.401 ' O ' ' HA ' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -118.93 136.85 53.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.279 -179.934 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.4 t -82.61 139.43 17.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.5 ttp180 -149.9 149.3 30.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.291 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.554 ' HB2' ' CE2' ' A' ' 23' ' ' TYR . 9.9 ttp180 -78.67 102.91 8.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.436 1.085 . . . . 0.0 110.351 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.558 ' CD1' ' HB2' ' A' ' 24' ' ' LEU . 16.2 m-85 -95.83 140.41 30.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 111.039 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.945 ' O ' HD12 ' A' ' 48' ' ' LEU . 12.0 p -123.48 137.93 55.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.848 ' HG ' HD13 ' A' ' 48' ' ' LEU . 0.7 OUTLIER -112.28 114.77 27.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.446 ' NH1' ' O ' ' A' ' 14' ' ' LEU . 1.7 mtt180 -117.22 150.28 39.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.329 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.72 ' CE ' HG13 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -124.77 154.25 41.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.458 ' HA ' ' HA ' ' A' ' 45' ' ' PRO . 1.2 t70 41.33 79.8 0.31 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.265 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.483 ' CG ' ' O ' ' A' ' 12' ' ' VAL . 18.4 Cg_endo -74.97 170.33 72.12 Favored 'Cis proline' 0 C--N 1.36 1.174 0 C-N-CA 120.979 -2.509 . . . . 0.0 111.026 -0.049 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.43 ' HB1' ' HB3' ' A' ' 122' ' ' LEU . . . -95.13 106.7 18.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 109.258 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.422 ' CD1' ' O ' ' A' ' 46' ' ' ALA . 45.5 m-85 -152.34 178.38 9.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.984 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.945 HD12 ' O ' ' A' ' 40' ' ' VAL . 10.0 tp -151.96 119.57 6.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.615 ' O ' HG12 ' A' ' 40' ' ' VAL . 65.5 m80 -125.09 163.8 21.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 109.587 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.612 ' C ' ' CD1' ' A' ' 51' ' ' TYR . 1.8 p90 -139.55 -177.39 4.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.964 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.768 ' HA ' HG23 ' A' ' 61' ' ' VAL . 32.3 m-85 -158.71 146.16 17.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 111.003 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.404 ' HB3' ' HB2' ' A' ' 55' ' ' LYS . 62.8 t0 -78.53 123.86 85.5 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 0.31 9.08 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.521 1.801 . . . . 0.0 111.009 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 11.2 t -101.55 -48.42 4.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 110.034 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.404 ' HB2' ' HB3' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -67.86 -176.5 0.67 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.258 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -151.7 103.1 2.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 110.304 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -158.83 173.55 16.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.313 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 73.1 m-80 -102.7 27.64 6.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.337 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 41.2 mmt-85 -140.39 148.83 55.42 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.462 1.101 . . . . 0.0 110.364 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.59 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 18.3 Cg_endo -74.97 162.51 37.06 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.537 1.809 . . . . 0.0 111.047 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.768 HG23 ' HA ' ' A' ' 51' ' ' TYR . 2.1 t -70.88 -28.1 32.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -167.92 -118.22 0.43 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.457 1.098 . . . . 0.0 111.038 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.498 ' HA3' ' CD2' ' A' ' 49' ' ' HIS . . . 113.27 134.19 5.97 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.721 ' CE2' HG11 ' A' ' 94' ' ' VAL . 11.3 p90 -128.38 161.87 28.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 0.752 . . . . 0.0 110.996 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -75.91 150.44 37.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.987 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.576 ' O ' HG22 ' A' ' 123' ' ' THR . 29.1 mt -102.67 -32.32 9.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 109.29 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -38.25 -57.91 1.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 110.297 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -102.87 42.92 1.78 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.479 1.112 . . . . 0.0 110.989 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.409 ' OG ' ' HA ' ' A' ' 66' ' ' LEU . 4.6 p -121.31 -174.37 2.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 0.775 . . . . 0.0 110.013 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 95' ' ' ILE . 0.8 OUTLIER -155.26 168.52 26.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.567 ' CG1' ' HG3' ' A' ' 120' ' ' LYS . 8.1 p -153.44 145.49 14.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.327 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 13.7 m -161.63 160.81 29.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.991 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -93.9 135.78 34.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.81 HD22 ' CE2' ' A' ' 103' ' ' TYR . 1.6 mt -72.24 107.7 5.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.132 . . . . 0.0 109.25 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -99.58 -170.39 1.89 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 110.335 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.8 t70 56.47 89.41 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 109.298 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -44.2 163.5 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 98.59 173.37 32.22 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.501 1.126 . . . . 0.0 111.018 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.481 HG22 ' N ' ' A' ' 86' ' ' ASN . 90.8 t -68.0 121.75 81.14 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.466 0.744 . . . . 0.0 109.336 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.798 ' HG2' HG21 ' A' ' 83' ' ' VAL . 18.4 Cg_endo -75.01 131.96 14.86 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.472 1.775 . . . . 0.0 110.982 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 83.3 m 43.95 -107.77 0.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.368 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -132.69 46.37 1.07 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.513 1.133 . . . . 0.0 110.96 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.798 HG21 ' HG2' ' A' ' 80' ' ' PRO . 11.6 t -62.83 -16.18 16.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.536 0.786 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 12.9 mttt 50.32 65.23 1.5 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 109.309 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 132.65 92.36 0.52 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.485 1.116 . . . . 0.0 111.022 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.481 ' N ' HG22 ' A' ' 79' ' ' VAL . 11.4 t30 -39.69 117.54 0.75 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 0.787 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.518 ' HB ' HD13 ' A' ' 91' ' ' LEU . 2.5 m -53.9 -172.87 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.265 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -61.64 -99.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.558 1.161 . . . . 0.0 110.295 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -104.28 -109.26 3.37 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.464 1.103 . . . . 0.0 110.966 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -88.15 -62.53 1.47 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 0.77 . . . . 0.0 109.296 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.765 ' HB2' HD12 ' A' ' 74' ' ' LEU . 1.9 mp 65.62 -171.06 0.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.329 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.661 ' HB3' HD11 ' A' ' 116' ' ' ILE . 27.8 p90 -151.71 165.51 34.15 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.135 . . . . 0.0 110.965 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.615 ' HB3' HD21 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -121.86 166.75 13.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.721 HG11 ' CE2' ' A' ' 64' ' ' PHE . 76.6 t -132.6 100.7 4.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.266 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.902 HG23 ' CD2' ' A' ' 101' ' ' HIS . 40.7 mt -85.54 117.54 30.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.125 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 44.0 p -88.69 -166.65 1.65 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.575 1.172 . . . . 0.0 110.439 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.05 -9.71 59.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 0.0 109.308 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -100.6 4.3 43.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.488 ' C ' ' CD2' ' A' ' 101' ' ' HIS . 1.8 t70 56.38 36.6 27.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.272 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.476 HG21 ' CE2' ' A' ' 102' ' ' TYR . 50.2 m -70.09 -57.38 5.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 110.43 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.902 ' CD2' HG23 ' A' ' 95' ' ' ILE . 4.0 m170 79.88 94.93 0.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.097 . . . . 0.0 109.573 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.476 ' CE2' HG21 ' A' ' 100' ' ' THR . 59.6 m-85 -103.21 115.34 30.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 110.998 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.81 ' CE2' HD22 ' A' ' 74' ' ' LEU . 3.5 m-85 -81.19 114.57 20.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 111.021 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.561 ' HB ' ' CZ ' ' A' ' 92' ' ' PHE . 66.2 mt -117.48 165.19 13.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.688 ' O ' HD22 ' A' ' 24' ' ' LEU . 66.0 tt0 -121.15 158.52 27.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.281 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.548 ' HB1' ' HB3' ' A' ' 111' ' ' GLU . . . -114.45 151.12 33.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.294 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 42.9 t -52.32 -48.68 65.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 110.005 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.4 156.43 47.6 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 109.988 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.43 -38.94 0.9 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -68.87 -58.8 3.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.548 ' HB3' ' HB1' ' A' ' 106' ' ' ALA . 0.8 OUTLIER -39.17 -39.36 0.59 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.322 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.527 ' HA ' ' HB2' ' A' ' 106' ' ' ALA . 16.2 ttp180 -56.42 -70.94 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 110.293 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -41.0 -49.68 3.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.289 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 38.5 mm-40 -58.17 -59.4 5.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 110.293 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' TRP . . . . . 0.575 ' CD1' HD21 ' A' ' 24' ' ' LEU . 40.1 m95 -49.5 -36.29 22.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.122 . . . . 0.0 108.025 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.661 HD11 ' HB3' ' A' ' 92' ' ' PHE . 86.2 mt -71.46 -74.49 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 116' ' ' ILE . 2.5 tt0 -34.92 -42.82 0.17 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.276 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.475 ' HB1' HD13 ' A' ' 41' ' ' LEU . . . -56.8 -64.39 0.89 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.491 HG21 ' HB ' ' A' ' 71' ' ' VAL . 89.9 mt -42.52 -61.08 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.544 1.152 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.567 ' HG3' ' CG1' ' A' ' 71' ' ' VAL . 1.6 mptp? -37.53 -54.03 1.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.333 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 11.4 mttt -42.82 -57.29 2.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.457 HD23 HD13 ' A' ' 66' ' ' LEU . 0.4 OUTLIER -51.77 -56.19 15.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . 0.576 HG22 ' O ' ' A' ' 66' ' ' LEU . 80.9 p -63.61 78.52 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.478 1.111 . . . . 0.0 110.377 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . 0.427 ' N ' ' O ' ' A' ' 122' ' ' LEU . 0.2 OUTLIER 74.14 138.23 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.988 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -53.0 131.49 41.12 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.483 1.114 . . . . 0.0 110.99 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 166.77 28.43 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.508 1.794 . . . . 0.0 110.954 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 15.0 t -136.25 111.68 9.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.0 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 52.5 m -87.68 -60.81 1.87 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.978 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.553 1.158 . . . . 0.0 110.966 179.997 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.438 ' O ' ' N ' ' A' ' 3' ' ' SER . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.3 p 47.56 -94.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 0.78 . . . . 0.0 109.982 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 1' ' ' GLY . 6.6 t 72.78 -60.36 0.54 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.003 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.77 128.22 4.7 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.475 1.11 . . . . 0.0 110.982 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 t -152.08 168.45 25.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 0.762 . . . . 0.0 109.977 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -162.92 158.16 22.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.986 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.8 92.21 0.11 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.451 1.094 . . . . 0.0 110.998 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 37.6 m -79.2 159.46 27.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 0.733 . . . . 0.0 110.003 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.7 tp -113.69 91.24 3.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 43.17 73.62 0.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.004 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 15.1 m 68.21 166.09 0.25 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 110.374 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.744 HG13 ' H ' ' A' ' 13' ' ' GLU . 0.8 OUTLIER -150.69 -76.17 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.259 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.744 ' H ' HG13 ' A' ' 12' ' ' VAL . 42.1 mt-10 -61.06 -40.94 95.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.314 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.601 HD21 ' CD2' ' A' ' 49' ' ' HIS . 3.2 mt -84.21 4.67 29.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 10.2 t -106.09 62.79 0.66 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.981 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -134.12 169.61 22.89 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.481 1.113 . . . . 0.0 111.041 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 43' ' ' LYS . 1.8 m -79.03 123.4 27.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 0.761 . . . . 0.0 110.405 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.499 HG13 ' HG3' ' A' ' 21' ' ' GLN . 2.2 t -60.1 124.13 13.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.241 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -110.49 -26.52 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 109.291 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.533 ' HG2' ' CD2' ' A' ' 115' ' ' TRP . 2.6 tptt -158.77 140.94 13.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.554 ' OE1' HG23 ' A' ' 40' ' ' VAL . 20.6 mt-30 -146.55 145.2 30.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 110.306 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 163.45 -167.04 37.5 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.503 1.127 . . . . 0.0 111.009 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.508 ' CZ ' ' HD3' ' A' ' 38' ' ' ARG . 27.4 m-85 -115.15 121.36 42.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 0.775 . . . . 0.0 111.004 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.688 HD11 ' CD2' ' A' ' 115' ' ' TRP . 60.0 mt -116.91 167.12 11.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.62 ' HB3' ' HB3' ' A' ' 105' ' ' GLN . . . -113.13 124.86 53.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 44.1 tttm -109.44 131.7 54.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.793 ' NE2' HG22 ' A' ' 83' ' ' VAL . 0.6 OUTLIER -82.84 125.57 31.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.266 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -140.98 -109.56 0.79 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.512 1.132 . . . . 0.0 111.029 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.457 ' CD2' ' H ' ' A' ' 30' ' ' LYS . 7.8 t60 -131.82 -163.04 1.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 0.758 . . . . 0.0 109.61 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.457 ' H ' ' CD2' ' A' ' 29' ' ' HIS . 0.0 OUTLIER 73.88 144.23 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 109.324 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.4 -179.12 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 110.237 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.0 mptt 67.95 165.46 0.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.261 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 28.0 m-20 -59.23 -162.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.344 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.512 ' CE2' ' HB2' ' A' ' 27' ' ' GLN . 17.0 m0 -59.38 -176.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 107.969 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.25 129.76 52.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.406 ' O ' HG12 ' A' ' 36' ' ' VAL . 0.9 OUTLIER -76.96 115.82 19.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 0.0 109.368 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.669 ' HD3' HG21 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -122.43 148.51 45.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.249 -179.945 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.508 ' HD3' ' CZ ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -82.12 103.91 12.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 110.289 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.443 ' CD1' ' HB2' ' A' ' 24' ' ' LEU . 20.1 m-85 -96.89 138.9 33.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.988 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.883 ' O ' HD12 ' A' ' 48' ' ' LEU . 13.6 p -124.35 139.08 51.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.336 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.847 ' HG ' HD13 ' A' ' 48' ' ' LEU . 0.8 OUTLIER -115.59 132.5 56.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.8 mtt180 -131.74 167.41 19.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 110.302 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 17' ' ' THR . 0.5 OUTLIER -142.17 141.2 32.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 109.301 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.491 ' N ' ' C ' ' A' ' 45' ' ' PRO . 9.1 t0 51.36 77.24 0.47 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.491 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.3 Cg_endo -74.98 169.62 74.05 Favored 'Cis proline' 0 C--N 1.36 1.165 0 C-N-CA 120.98 -2.508 . . . . 0.0 111.028 -0.014 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.429 ' HB1' ' HB3' ' A' ' 122' ' ' LEU . . . -98.85 100.54 11.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.572 ' CE2' ' HG2' ' A' ' 13' ' ' GLU . 13.6 m-85 -144.68 167.76 21.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 111.0 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.883 HD12 ' O ' ' A' ' 40' ' ' VAL . 11.7 tp -141.46 114.56 8.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 109.33 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.625 ' O ' HG12 ' A' ' 40' ' ' VAL . 53.7 m80 -117.81 156.54 28.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.589 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.497 ' CD1' ' NH1' ' A' ' 37' ' ' ARG . 24.5 p90 -141.09 140.92 34.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 111.014 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.609 ' HA ' HG23 ' A' ' 61' ' ' VAL . 28.8 m-85 -112.93 158.3 20.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 110.969 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.577 ' N ' ' CG2' ' A' ' 61' ' ' VAL . 1.1 p30 -97.74 123.84 50.35 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -43.3 0.42 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.489 1.784 . . . . 0.0 111.015 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.2 t -46.35 -40.05 11.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.011 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -90.07 -171.82 3.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.255 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -149.2 100.8 3.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 110.281 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -153.81 163.36 40.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 110.355 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 -94.3 22.34 6.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.305 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 23.3 mmt85 -133.99 152.21 78.11 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 110.257 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.511 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 18.3 Cg_endo -74.98 170.5 20.28 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.494 1.786 . . . . 0.0 110.981 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.669 HG21 ' HD3' ' A' ' 37' ' ' ARG . 0.3 OUTLIER -87.13 -20.19 7.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.442 1.089 . . . . 0.0 109.316 179.93 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -171.86 -137.62 2.37 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.507 1.129 . . . . 0.0 110.983 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 134.55 121.9 2.2 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.694 ' CZ ' HD23 ' A' ' 48' ' ' LEU . 1.9 p90 -116.9 163.25 16.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 0.768 . . . . 0.0 110.999 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 12.1 p -73.52 153.84 40.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.108 . . . . 0.0 110.03 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.797 HD13 HD23 ' A' ' 122' ' ' LEU . 99.3 mt -108.81 -42.37 4.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.38 -32.21 7.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 110.283 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -117.55 49.33 0.87 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.475 1.109 . . . . 0.0 110.968 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 26.2 m -145.67 -174.7 4.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 0.75 . . . . 0.0 110.036 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.631 ' O ' HG13 ' A' ' 94' ' ' VAL . 0.7 OUTLIER -152.9 169.33 23.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.16 . . . . 0.0 109.287 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.593 HG12 ' HG2' ' A' ' 120' ' ' LYS . 11.3 p -147.52 149.09 15.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.329 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.5 m -160.55 167.07 27.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.992 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -93.63 161.74 14.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.579 HD21 ' HB3' ' A' ' 93' ' ' LYS . 12.8 mt -107.17 -85.82 0.5 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.454 ' CG ' ' C ' ' A' ' 74' ' ' LEU . 2.2 pt-20 41.48 86.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 110.302 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -121.56 -42.34 2.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.343 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 164.03 -61.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -151.56 -143.19 3.66 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.526 1.141 . . . . 0.0 111.03 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 91.2 t -41.82 124.7 2.51 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.488 0.757 . . . . 0.0 109.275 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.596 ' HG2' HG21 ' A' ' 83' ' ' VAL . 18.3 Cg_endo -74.98 -82.17 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.547 1.814 . . . . 0.0 110.977 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 3.5 m -145.12 118.16 8.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.444 1.09 . . . . 0.0 110.357 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 38.54 71.94 0.22 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.451 1.095 . . . . 0.0 110.996 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.793 HG22 ' NE2' ' A' ' 27' ' ' GLN . 15.8 t -123.62 125.65 71.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.554 0.797 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 13.2 mmtt -45.99 -75.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 109.331 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -61.43 -137.52 0.01 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.526 1.141 . . . . 0.0 110.971 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -173.23 80.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 0.775 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.512 ' HB ' HD11 ' A' ' 91' ' ' LEU . 4.5 m -67.02 176.11 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.476 ' N ' HD11 ' A' ' 91' ' ' LEU . 1.3 pp0? -158.3 -43.27 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.299 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.707 ' O ' HD12 ' A' ' 91' ' ' LEU . . . -42.69 168.36 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.494 1.121 . . . . 0.0 110.983 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.407 ' O ' ' O ' ' A' ' 91' ' ' LEU . 86.7 m-20 -42.17 -44.22 3.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 0.757 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.707 HD12 ' O ' ' A' ' 89' ' ' GLY . 1.2 mt 48.38 -176.24 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.564 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 20.3 p90 -173.73 145.27 1.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 111.007 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.579 ' HB3' HD21 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -106.67 167.06 10.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 109.298 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.631 HG13 ' O ' ' A' ' 70' ' ' LEU . 71.0 t -135.71 106.21 5.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 0.0 109.253 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.841 HG23 ' CD2' ' A' ' 101' ' ' HIS . 51.6 mt -85.15 109.27 17.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.158 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.424 HG21 ' CE2' ' A' ' 102' ' ' TYR . 7.3 p -87.58 177.34 7.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.412 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 6.3 tttt -58.57 -24.86 61.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.309 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -84.86 7.35 21.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.276 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 44.8 42.45 6.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 2.7 m -82.33 -49.08 10.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.579 1.174 . . . . 0.0 110.38 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.841 ' CD2' HG23 ' A' ' 95' ' ' ILE . 4.2 m170 79.08 92.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 109.591 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.424 ' CE2' HG21 ' A' ' 96' ' ' THR . 45.2 m-85 -94.12 126.77 39.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 111.023 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -89.85 127.53 36.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 110.992 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.564 ' HB ' ' CZ ' ' A' ' 92' ' ' PHE . 60.0 mt -134.67 161.19 40.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.275 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.62 ' HB3' ' HB3' ' A' ' 25' ' ' ALA . 3.5 tp60 -119.62 151.68 38.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.309 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.521 ' HB3' ' HB2' ' A' ' 112' ' ' ARG . . . -106.0 153.55 21.86 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 109.365 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.18 -44.83 90.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.04 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -133.28 166.61 22.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.999 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 2.9 mptt -56.12 -26.15 48.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.112 . . . . 0.0 109.285 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -84.17 -52.88 5.91 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 0.0 109.265 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.458 ' HB3' ' HB1' ' A' ' 106' ' ' ALA . 0.7 OUTLIER -39.83 -40.85 1.04 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.271 -179.933 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.574 ' NE ' HD12 ' A' ' 116' ' ' ILE . 2.7 ttp180 -60.57 -72.9 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.31 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -41.42 -33.22 0.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -74.17 -50.51 18.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.309 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' TRP . . . . . 0.688 ' CD2' HD11 ' A' ' 24' ' ' LEU . 58.7 m95 -62.93 -24.02 67.66 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.574 HD12 ' NE ' ' A' ' 112' ' ' ARG . 63.5 mt -79.85 -77.1 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 116' ' ' ILE . 2.1 tt0 -37.74 -43.23 0.64 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 110.274 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.406 ' HB1' HD13 ' A' ' 41' ' ' LEU . . . -54.81 -59.07 5.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.572 HD12 ' O ' ' A' ' 115' ' ' TRP . 35.8 mt -50.45 -56.69 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 0.0 109.275 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.593 ' HG2' HG12 ' A' ' 71' ' ' VAL . 18.1 mttt -40.85 -51.85 3.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 13.3 mttt -42.26 -60.31 1.51 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.797 HD23 HD13 ' A' ' 66' ' ' LEU . 0.3 OUTLIER -52.75 -53.8 42.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.32 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . 0.755 HG22 ' O ' ' A' ' 66' ' ' LEU . 22.0 p -70.93 64.65 0.33 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.411 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.3 t -173.04 167.65 4.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.992 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -86.18 -143.31 7.19 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.481 1.113 . . . . 0.0 111.007 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 133.37 16.48 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.507 1.793 . . . . 0.0 111.015 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -152.1 175.32 12.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.02 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -176.75 169.48 2.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 110.004 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.537 1.148 . . . . 0.0 110.998 179.945 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 66.56 161.74 0.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 0.777 . . . . 0.0 110.04 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.1 t -175.82 153.03 1.32 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.023 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.37 172.08 38.39 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.493 1.12 . . . . 0.0 111.002 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.6 -60.98 0.44 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.57 0.806 . . . . 0.0 110.021 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t 64.39 146.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.44 1.088 . . . . 0.0 110.028 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.84 139.64 3.4 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.502 1.127 . . . . 0.0 110.992 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.29 -58.78 1.82 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 0.784 . . . . 0.0 110.026 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -165.47 -68.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.81 126.83 51.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.992 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 61.07 140.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.367 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.743 HG13 ' H ' ' A' ' 13' ' ' GLU . 2.4 p -141.47 -64.62 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.743 ' H ' HG13 ' A' ' 12' ' ' VAL . 2.9 mt-10 -83.2 -25.84 31.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.275 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.613 HD23 ' OH ' ' A' ' 51' ' ' TYR . 6.1 mp -83.19 -1.42 52.96 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.35 53.61 2.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.561 1.163 . . . . 0.0 110.083 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -129.01 151.03 18.98 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.506 1.129 . . . . 0.0 110.996 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.446 ' N ' ' O ' ' A' ' 43' ' ' LYS . 1.2 m -68.69 118.9 12.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 0.762 . . . . 0.0 110.432 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.474 HG13 ' HG3' ' A' ' 21' ' ' GLN . 2.2 t -47.69 121.86 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.53 HG13 ' HE2' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -109.94 -18.99 7.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.543 ' HG2' ' CD2' ' A' ' 115' ' ' TRP . 3.5 tptt -168.95 140.26 2.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.336 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.698 HE21 HG23 ' A' ' 40' ' ' VAL . 50.2 mt-30 -142.19 150.27 40.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.456 1.098 . . . . 0.0 110.305 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 159.35 -179.59 34.84 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.525 1.141 . . . . 0.0 111.023 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.43 ' CZ ' ' HD3' ' A' ' 38' ' ' ARG . 53.0 m-85 -111.16 122.77 48.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 0.76 . . . . 0.0 110.992 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.546 HD22 ' HA ' ' A' ' 106' ' ' ALA . 9.1 mt -117.28 172.09 7.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -120.25 106.99 12.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.312 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -76.29 148.43 37.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.52 ' HG3' ' CE2' ' A' ' 34' ' ' TRP . 1.0 OUTLIER -120.0 128.48 53.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.234 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.433 ' N ' ' OE1' ' A' ' 27' ' ' GLN . . . 145.06 86.86 0.08 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.445 1.091 . . . . 0.0 111.012 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 1.8 t60 179.22 157.11 0.54 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 0.762 . . . . 0.0 109.624 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.8 tttp -95.51 46.42 1.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.263 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.484 ' O ' ' CB ' ' A' ' 32' ' ' LYS . 0.2 OUTLIER 179.0 101.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.28 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.484 ' CB ' ' O ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER 86.61 -46.28 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.102 . . . . 0.0 109.3 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.1 m120 73.34 -65.11 0.37 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.715 ' CZ2' HG11 ' A' ' 87' ' ' VAL . 93.4 m95 -91.09 111.22 22.6 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.46 118.69 26.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.9 t -57.01 130.74 20.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -142.71 148.85 37.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 110.312 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.43 ' HD3' ' CZ ' ' A' ' 23' ' ' TYR . 0.5 OUTLIER -81.23 102.92 10.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 110.282 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.477 ' CG ' HD12 ' A' ' 24' ' ' LEU . 24.5 m-85 -96.92 127.9 43.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 0.0 110.977 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.967 ' O ' HD12 ' A' ' 48' ' ' LEU . 7.5 p -114.86 141.06 32.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.673 ' HG ' HD13 ' A' ' 48' ' ' LEU . 0.4 OUTLIER -118.47 126.78 52.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.4 ' NH1' ' O ' ' A' ' 14' ' ' LEU . 49.1 mtt-85 -125.93 164.75 20.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.124 . . . . 0.0 110.305 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.53 ' HE2' HG13 ' A' ' 19' ' ' VAL . 1.6 pttt -138.93 145.57 39.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.16 . . . . 0.0 109.287 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.486 ' N ' ' C ' ' A' ' 45' ' ' PRO . 0.7 OUTLIER 48.98 77.51 0.46 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.357 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.486 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.2 Cg_endo -75.08 170.64 71.31 Favored 'Cis proline' 0 C--N 1.36 1.169 0 C-N-CA 120.996 -2.502 . . . . 0.0 110.958 0.127 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.74 ' CB ' HD12 ' A' ' 122' ' ' LEU . . . -96.59 94.98 7.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.553 ' CD2' ' HB3' ' A' ' 13' ' ' GLU . 12.7 m-85 -141.71 157.41 45.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 111.024 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.967 HD12 ' O ' ' A' ' 40' ' ' VAL . 6.6 tp -130.38 113.91 14.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.725 ' O ' HG12 ' A' ' 40' ' ' VAL . 71.4 m80 -115.47 161.95 17.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.647 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.512 ' O ' HG23 ' A' ' 61' ' ' VAL . 26.3 p90 -145.93 144.46 30.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.462 1.102 . . . . 0.0 111.01 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.7 ' HA ' HG23 ' A' ' 61' ' ' VAL . 12.3 m-85 -120.39 148.5 43.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 111.031 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 47.7 t0 -81.24 122.5 81.4 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -0.08 9.55 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.514 1.797 . . . . 0.0 111.03 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 18.1 m -103.15 -21.7 13.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.014 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.432 ' HG3' ' N ' ' A' ' 56' ' ' GLU . 0.9 OUTLIER -101.5 142.1 33.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.432 ' N ' ' HG3' ' A' ' 55' ' ' LYS . 1.2 mt-10 -108.41 66.13 0.64 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.575 1.172 . . . . 0.0 110.313 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -120.18 144.35 47.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.333 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 38.6 m-20 -82.9 66.93 8.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.318 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 176.8 160.74 0.48 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.431 1.082 . . . . 0.0 110.317 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.548 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 18.3 Cg_endo -74.99 174.38 12.88 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.523 1.802 . . . . 0.0 111.012 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.7 HG23 ' HA ' ' A' ' 51' ' ' TYR . 1.8 t -92.63 -24.13 5.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -164.51 -119.52 0.48 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.519 1.137 . . . . 0.0 110.987 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.467 ' HA3' ' CD2' ' A' ' 49' ' ' HIS . . . 116.92 123.93 3.49 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.625 ' CZ ' HD23 ' A' ' 48' ' ' LEU . 1.6 p90 -120.54 157.25 29.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 0.766 . . . . 0.0 111.017 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.0 p -69.17 149.0 49.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.983 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.484 ' O ' HG22 ' A' ' 123' ' ' THR . 37.8 mt -99.6 -46.63 5.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -36.97 -54.96 0.94 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.516 1.135 . . . . 0.0 110.3 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -99.74 56.56 0.86 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.511 1.132 . . . . 0.0 110.999 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.404 ' HA ' ' HA ' ' A' ' 96' ' ' THR . 4.8 m -140.49 -177.92 5.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 0.74 . . . . 0.0 109.967 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 1.024 HD13 ' N ' ' A' ' 71' ' ' VAL . 3.2 tm? -155.89 153.23 29.34 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.554 1.159 . . . . 0.0 109.329 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 1.024 ' N ' HD13 ' A' ' 70' ' ' LEU . 14.7 p -141.1 143.45 28.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.9 m -158.89 163.63 36.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.996 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -96.03 152.08 18.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.117 . . . . 0.0 109.305 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.535 ' CD2' ' CZ ' ' A' ' 103' ' ' TYR . 0.7 OUTLIER -86.08 116.75 24.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.447 1.092 . . . . 0.0 109.264 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -90.32 56.51 3.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.305 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -140.3 141.76 35.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -99.81 -57.69 2.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 109.358 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -70.39 -100.26 0.05 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.509 1.13 . . . . 0.0 110.965 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 5.0 t -104.76 120.0 51.64 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.551 0.795 . . . . 0.0 109.304 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.526 ' HG2' HG11 ' A' ' 83' ' ' VAL . 18.3 Cg_endo -74.98 67.1 5.97 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.488 1.783 . . . . 0.0 111.011 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.459 ' O ' ' N ' ' A' ' 83' ' ' VAL . 30.9 m 45.56 -122.32 1.04 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.38 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.698 ' O ' HG23 ' A' ' 83' ' ' VAL . . . -60.61 79.75 0.01 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.458 1.099 . . . . 0.0 111.022 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.698 HG23 ' O ' ' A' ' 82' ' ' GLY . 12.7 t -160.13 -43.65 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.472 0.748 . . . . 0.0 109.336 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.402 ' HB2' ' O ' ' A' ' 83' ' ' VAL . 9.7 mttt 68.98 -63.51 0.36 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.267 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.508 ' O ' HG13 ' A' ' 87' ' ' VAL . . . -66.83 82.98 0.11 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.509 1.13 . . . . 0.0 111.011 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.448 ' N ' ' OD1' ' A' ' 86' ' ' ASN . 3.8 p30 -39.17 101.71 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 0.79 . . . . 0.0 109.307 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.715 HG11 ' CZ2' ' A' ' 34' ' ' TRP . 11.3 m -85.17 179.26 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 73.0 mm-40 -54.92 -169.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.313 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -124.77 34.78 3.34 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.557 1.16 . . . . 0.0 110.979 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.417 ' ND2' ' HB2' ' A' ' 112' ' ' ARG . 1.6 t30 -152.17 51.41 0.79 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 0.766 . . . . 0.0 109.344 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.466 ' HB2' HD12 ' A' ' 74' ' ' LEU . 0.3 OUTLIER -121.77 -169.66 1.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.325 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.565 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 23.3 p90 -161.59 173.37 14.87 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.484 1.115 . . . . 0.0 111.009 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.442 ' HE2' ' CG1' ' A' ' 95' ' ' ILE . 0.0 OUTLIER -130.11 154.73 47.19 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 91.4 t -123.33 102.71 11.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.142 . . . . 0.0 109.294 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.57 HG12 ' CD2' ' A' ' 101' ' ' HIS . 25.2 mt -86.12 106.25 15.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.404 ' HA ' ' HA ' ' A' ' 69' ' ' SER . 27.2 p -83.94 175.19 9.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 110.378 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 3.2 tttp -59.38 -15.76 18.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.404 ' C ' ' CG ' ' A' ' 99' ' ' ASP . 0.3 OUTLIER -88.67 19.53 3.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.404 ' CG ' ' C ' ' A' ' 98' ' ' ASP . 0.1 OUTLIER 48.22 25.96 0.96 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.283 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 91.6 m -96.23 121.87 38.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 110.386 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.57 ' CD2' HG12 ' A' ' 95' ' ' ILE . 13.6 m170 -90.43 108.21 19.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.602 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 54.6 m-85 -100.3 102.63 13.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.968 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.535 ' CZ ' ' CD2' ' A' ' 74' ' ' LEU . 3.2 m-85 -75.53 127.02 32.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.998 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.565 ' HB ' ' CZ ' ' A' ' 92' ' ' PHE . 53.4 mt -125.41 162.3 28.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.45 ' N ' ' CG2' ' A' ' 104' ' ' ILE . 4.9 tt0 -123.47 128.3 49.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 110.332 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.565 ' HB1' ' HB3' ' A' ' 111' ' ' GLU . . . -81.57 169.12 17.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.131 . . . . 0.0 109.336 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 10.5 t -83.18 -46.83 12.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 110.045 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -127.96 174.13 9.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.012 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.79 -59.02 5.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 111' ' ' GLU . . . -54.85 -54.19 45.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.565 ' HB3' ' HB1' ' A' ' 106' ' ' ALA . 0.0 OUTLIER -38.06 -41.5 0.58 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.442 1.089 . . . . 0.0 110.303 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.537 HH11 ' N ' ' A' ' 113' ' ' ALA . 0.0 OUTLIER -52.61 -71.12 0.07 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 0.0 110.298 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.537 ' N ' HH11 ' A' ' 112' ' ' ARG . . . -55.04 -43.89 74.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.418 1.074 . . . . 0.0 109.292 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.444 ' OE1' ' NZ ' ' A' ' 20' ' ' LYS . 6.7 mt-10 -47.81 -63.33 1.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.14 . . . . 0.0 110.301 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' TRP . . . . . 0.61 ' O ' HD12 ' A' ' 119' ' ' ILE . 80.7 m95 -54.17 -43.66 70.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 108.015 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.501 HD12 ' NH1' ' A' ' 112' ' ' ARG . 35.3 mt -55.27 -78.34 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.402 ' N ' HG22 ' A' ' 116' ' ' ILE . 0.3 OUTLIER -39.67 -48.46 2.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 110.296 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.405 ' HB1' HD13 ' A' ' 41' ' ' LEU . . . -45.66 -59.58 2.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.62 ' O ' HG23 ' A' ' 123' ' ' THR . 5.6 mt -55.48 -42.69 69.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.524 ' HG2' ' CG1' ' A' ' 71' ' ' VAL . 18.9 mttt -58.52 -47.68 83.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 22.8 mttt -49.95 -60.68 2.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.74 HD12 ' CB ' ' A' ' 46' ' ' ALA . 1.1 mm? -47.55 -57.82 4.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . 0.62 HG23 ' O ' ' A' ' 119' ' ' ILE . 26.0 p -71.88 -179.17 2.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 110.371 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -57.49 -62.92 1.43 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.123 . . . . 0.0 109.967 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 67.33 171.02 4.96 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.489 1.118 . . . . 0.0 110.992 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -43.02 0.43 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.514 1.797 . . . . 0.0 111.009 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 80.0 p -151.81 120.22 6.41 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 109.985 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 3.6 m -154.26 -58.39 0.12 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 110.025 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 O-C-N 124.548 1.155 . . . . 0.0 111.01 -179.985 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.8 m -153.99 167.04 31.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 0.756 . . . . 0.0 110.034 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.3 p -168.82 162.7 11.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.02 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.92 176.33 45.82 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.523 1.139 . . . . 0.0 110.956 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.6 m -154.14 165.24 36.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 0.765 . . . . 0.0 109.981 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -141.56 164.59 29.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.978 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 120.24 -173.33 15.25 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.479 1.112 . . . . 0.0 110.975 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.13 -52.68 33.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 0.766 . . . . 0.0 109.997 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 41.54 90.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 109.256 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -164.32 -69.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.081 . . . . 0.0 110.047 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.417 ' CG2' ' HB2' ' A' ' 14' ' ' LEU . 93.2 m -134.42 155.88 49.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.436 1.085 . . . . 0.0 110.454 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.697 HG13 ' H ' ' A' ' 13' ' ' GLU . 2.7 p -140.43 -63.01 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.697 ' H ' HG13 ' A' ' 12' ' ' VAL . 55.2 mt-10 -58.11 -49.37 77.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 110.305 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.702 HD11 ' CG ' ' A' ' 49' ' ' HIS . 1.6 mm? -81.67 -1.28 46.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.49 63.84 3.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 110.005 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.473 ' CA ' ' HD2' ' A' ' 45' ' ' PRO . . . -138.2 161.52 25.61 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.504 1.127 . . . . 0.0 110.949 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 33.5 m -68.16 114.11 6.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 0.781 . . . . 0.0 110.359 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.2 t -67.24 115.45 5.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.552 HG13 ' HG2' ' A' ' 43' ' ' LYS . 0.3 OUTLIER -102.22 -30.58 3.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.546 ' HG2' ' CD2' ' A' ' 115' ' ' TRP . 8.4 tptt -144.87 146.05 31.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -167.12 129.47 1.7 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.105 . . . . 0.0 110.276 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -169.54 -146.27 4.99 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.466 1.104 . . . . 0.0 110.981 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.542 ' CE1' ' HD3' ' A' ' 38' ' ' ARG . 57.7 m-85 -127.8 109.85 12.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 0.777 . . . . 0.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.58 HD12 ' CG ' ' A' ' 39' ' ' PHE . 26.0 mt -105.63 171.46 7.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.569 ' HB3' ' HB3' ' A' ' 105' ' ' GLN . . . -124.29 102.06 7.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 29.2 tttt -87.29 119.88 28.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.547 ' NE2' HG13 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -73.85 145.92 44.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.332 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -177.78 172.52 45.18 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.523 1.139 . . . . 0.0 110.949 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.49 ' CG ' ' O ' ' A' ' 29' ' ' HIS . 0.3 OUTLIER -78.92 93.23 5.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 0.786 . . . . 0.0 109.579 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 17.4 tttm -153.13 171.8 17.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 109.293 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.6 -54.31 2.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 110.341 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.1 mtmt -96.72 138.49 34.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -57.21 -55.31 36.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.337 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.569 ' CZ2' HG21 ' A' ' 87' ' ' VAL . 46.8 m95 -116.4 109.39 17.26 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.419 ' O ' ' HA ' ' A' ' 25' ' ' ALA . 11.4 mmtt -94.06 130.32 40.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.8 t -78.32 131.12 35.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 109.339 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.593 ' NH1' HG11 ' A' ' 61' ' ' VAL . 0.4 OUTLIER -138.05 156.53 47.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.298 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.542 ' HD3' ' CE1' ' A' ' 23' ' ' TYR . 1.2 ttp180 -91.35 102.93 15.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.56 1.163 . . . . 0.0 110.321 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.58 ' CG ' HD12 ' A' ' 24' ' ' LEU . 23.6 m-85 -96.29 141.42 29.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 111.015 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.799 ' O ' HD12 ' A' ' 48' ' ' LEU . 5.4 p -124.51 139.47 50.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.558 ' CD1' ' HB1' ' A' ' 118' ' ' ALA . 0.0 OUTLIER -114.81 118.5 33.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 109.341 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.604 HH21 HG11 ' A' ' 40' ' ' VAL . 5.4 mtt-85 -117.51 150.63 38.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 110.268 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.552 ' HG2' HG13 ' A' ' 19' ' ' VAL . 0.5 OUTLIER -130.06 148.64 51.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.569 1.168 . . . . 0.0 109.294 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.465 ' N ' ' C ' ' A' ' 45' ' ' PRO . 19.4 t0 40.7 78.96 0.34 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.473 ' HD2' ' CA ' ' A' ' 16' ' ' GLY . 18.2 Cg_endo -75.0 165.47 85.84 Favored 'Cis proline' 0 C--N 1.359 1.12 0 C-N-CA 120.979 -2.509 . . . . 0.0 111.015 -0.035 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.858 ' HB2' HD12 ' A' ' 122' ' ' LEU . . . -93.39 113.36 25.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.528 ' CE2' ' HG2' ' A' ' 13' ' ' GLU . 2.0 m-85 -157.08 157.22 34.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 111.039 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.799 HD12 ' O ' ' A' ' 40' ' ' VAL . 23.8 tp -133.47 113.38 12.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.702 ' CG ' HD11 ' A' ' 14' ' ' LEU . 73.1 m80 -120.05 166.38 13.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 109.626 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.447 ' O ' ' CD1' ' A' ' 50' ' ' TYR . 21.4 p90 -154.9 141.78 19.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 111.001 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.957 ' HA ' HG23 ' A' ' 61' ' ' VAL . 4.7 m-85 -117.06 163.62 15.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 111.014 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -91.57 122.92 65.05 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 109.286 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 1.08 8.12 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.452 1.764 . . . . 0.0 110.997 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 38.1 m -103.08 -50.88 3.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.989 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.87 -175.21 0.18 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -150.2 90.26 1.65 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 110.287 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -149.9 140.73 22.75 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.553 1.158 . . . . 0.0 110.299 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -77.18 57.26 1.39 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.452 ' CG ' ' HD2' ' A' ' 60' ' ' PRO . 0.1 OUTLIER -171.79 156.77 4.17 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.563 1.164 . . . . 0.0 110.298 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.602 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 18.2 Cg_endo -75.07 158.14 42.09 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.499 1.789 . . . . 0.0 110.996 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.957 HG23 ' HA ' ' A' ' 51' ' ' TYR . 3.9 t -75.21 -31.26 24.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -161.95 -115.58 0.36 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.477 1.111 . . . . 0.0 111.024 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 101.31 126.3 5.8 Favored Glycine 0 CA--C 1.531 1.041 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.621 ' HE1' HD23 ' A' ' 48' ' ' LEU . 0.1 OUTLIER -110.89 -176.94 3.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 0.782 . . . . 0.0 111.003 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 66.8 m -88.68 161.2 16.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 110.018 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.71 ' O ' HG22 ' A' ' 123' ' ' THR . 72.3 mt -110.61 -38.43 5.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.9 OUTLIER -38.41 -64.01 0.46 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 110.317 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -99.4 48.18 1.29 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.495 1.122 . . . . 0.0 111.006 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.414 ' OG ' ' HA ' ' A' ' 66' ' ' LEU . 7.0 p -123.47 -173.08 2.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 0.772 . . . . 0.0 109.981 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -156.23 167.95 28.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.345 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.488 ' CG1' ' HG2' ' A' ' 120' ' ' LYS . 7.3 p -153.0 143.04 14.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.554 1.159 . . . . 0.0 109.295 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 37.6 m -158.81 156.51 29.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.972 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -92.81 153.04 19.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.336 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.935 HD12 ' HB2' ' A' ' 91' ' ' LEU . 2.2 mt -98.71 142.11 30.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -87.94 164.61 15.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 110.316 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -104.29 145.99 29.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 109.279 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 177.09 -58.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.162 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 164.96 96.66 0.11 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.557 1.16 . . . . 0.0 110.989 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.412 ' HA ' ' HD3' ' A' ' 80' ' ' PRO . 40.5 t 62.86 131.33 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.533 0.784 . . . . 0.0 109.278 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.659 ' HG2' HG21 ' A' ' 83' ' ' VAL . 18.1 Cg_endo -75.07 -64.78 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.536 1.808 . . . . 0.0 110.972 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.594 ' O ' HG23 ' A' ' 83' ' ' VAL . 1.7 t -164.11 110.74 1.08 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 110.41 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 81' ' ' THR . . . 35.04 61.9 0.61 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.471 1.107 . . . . 0.0 111.028 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.659 HG21 ' HG2' ' A' ' 80' ' ' PRO . 30.5 t -115.25 -34.74 2.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 0.758 . . . . 0.0 109.3 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 7.2 mmtt 62.26 117.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 109.275 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 120.19 -13.26 10.41 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.476 1.11 . . . . 0.0 110.977 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 50.32 94.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 0.754 . . . . 0.0 109.331 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.569 HG21 ' CZ2' ' A' ' 34' ' ' TRP . 5.3 p -61.66 160.55 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.432 ' O ' ' O ' ' A' ' 87' ' ' VAL . 16.2 mm-40 -43.27 -95.41 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 110.287 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 175.93 -50.32 0.12 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.493 1.121 . . . . 0.0 111.019 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 62.2 m-80 -77.64 59.45 1.98 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 0.772 . . . . 0.0 109.348 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.935 ' HB2' HD12 ' A' ' 74' ' ' LEU . 0.8 OUTLIER -120.28 -174.49 2.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 109.315 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.663 ' HB3' HD11 ' A' ' 116' ' ' ILE . 12.8 p90 -153.95 167.99 27.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 110.935 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.98 167.4 19.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.328 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 67.3 t -126.73 107.34 16.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.723 HG23 ' CD2' ' A' ' 101' ' ' HIS . 84.5 mt -89.2 111.62 23.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 0.0 109.272 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.415 HG21 ' HE2' ' A' ' 102' ' ' TYR . 69.1 p -81.71 -178.1 6.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.394 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.75 -9.65 51.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -105.15 19.37 20.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.443 ' C ' ' CD2' ' A' ' 101' ' ' HIS . 0.7 OUTLIER 43.8 42.78 4.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 109.288 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.603 HG21 ' CZ ' ' A' ' 102' ' ' TYR . 54.6 m -71.23 -57.4 4.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 110.411 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.723 ' CD2' HG23 ' A' ' 95' ' ' ILE . 4.8 m170 78.47 88.7 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.564 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.603 ' CZ ' HG21 ' A' ' 100' ' ' THR . 51.2 m-85 -98.16 115.32 28.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 111.016 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -79.57 125.09 29.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.989 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.426 HG22 ' N ' ' A' ' 105' ' ' GLN . 74.6 mt -133.2 161.92 40.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.113 . . . . 0.0 109.27 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.569 ' HB3' ' HB3' ' A' ' 25' ' ' ALA . 40.6 tt0 -122.31 150.12 42.8 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.514 1.134 . . . . 0.0 110.314 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.571 ' HB1' ' HB3' ' A' ' 111' ' ' GLU . . . -101.65 162.44 12.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 35.3 t -67.43 -44.25 79.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 109.992 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 11.2 p -132.14 167.24 20.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.006 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -56.55 -34.85 67.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -76.11 -50.25 15.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.571 ' HB3' ' HB1' ' A' ' 106' ' ' ALA . 0.7 OUTLIER -42.4 -36.31 1.26 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.316 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 8.1 ttp180 -61.29 -70.82 0.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 110.259 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -43.9 -41.56 5.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -63.68 -57.45 10.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 110.309 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' TRP . . . . . 0.548 ' CZ3' ' HB2' ' A' ' 41' ' ' LEU . 41.6 m95 -53.29 -35.06 59.7 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.663 HD11 ' HB3' ' A' ' 92' ' ' PHE . 82.8 mt -70.56 -76.43 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 116' ' ' ILE . 2.7 tt0 -33.95 -45.79 0.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.335 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.558 ' HB1' ' CD1' ' A' ' 41' ' ' LEU . . . -52.15 -68.06 0.2 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.495 1.122 . . . . 0.0 109.347 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.526 HD12 ' O ' ' A' ' 115' ' ' TRP . 13.4 mt -41.72 -58.03 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.488 ' HG2' ' CG1' ' A' ' 71' ' ' VAL . 17.2 mttt -40.76 -52.84 2.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.339 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 17.9 mttt -43.89 -60.04 2.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 109.268 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.858 HD12 ' HB2' ' A' ' 46' ' ' ALA . 2.2 mm? -51.11 -55.24 18.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . 0.71 HG22 ' O ' ' A' ' 66' ' ' LEU . 69.8 p -68.91 79.75 0.31 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 110.42 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.35 166.52 1.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 110.015 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -91.81 -117.96 2.29 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.493 1.12 . . . . 0.0 110.997 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 134.05 17.29 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.548 1.815 . . . . 0.0 110.953 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 38.4 m -114.71 154.71 27.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.01 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 77.2 p -99.05 136.54 38.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.994 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 O-C-N 124.507 1.13 . . . . 0.0 111.004 179.99 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 90.8 p -139.17 167.22 22.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 0.789 . . . . 0.0 109.994 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.8 m 60.06 150.74 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.443 1.09 . . . . 0.0 110.0 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.33 139.36 2.72 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.479 1.112 . . . . 0.0 111.003 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -135.93 169.85 16.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 0.736 . . . . 0.0 109.983 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -94.24 128.24 40.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.987 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 39.47 55.73 2.53 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.47 1.106 . . . . 0.0 110.992 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -172.24 111.24 0.26 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 0.752 . . . . 0.0 109.983 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.3 tt -167.98 -66.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.242 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 68.62 140.16 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 110.047 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.402 ' CG2' ' HB2' ' A' ' 14' ' ' LEU . 4.9 m -64.95 156.82 29.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 110.391 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.724 HG13 ' H ' ' A' ' 13' ' ' GLU . 2.6 p -141.05 -63.8 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.724 ' H ' HG13 ' A' ' 12' ' ' VAL . 2.3 mm-40 -65.98 -42.98 89.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 110.315 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.584 HD21 ' CD2' ' A' ' 49' ' ' HIS . 0.6 OUTLIER -87.82 12.03 14.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.301 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.421 ' O ' ' CD ' ' A' ' 45' ' ' PRO . 0.3 OUTLIER -101.8 62.2 0.9 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 110.056 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -136.71 161.58 25.08 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.515 1.134 . . . . 0.0 110.983 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.425 ' O ' ' N ' ' A' ' 43' ' ' LYS . 3.1 m -67.41 125.98 27.84 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.513 0.772 . . . . 0.0 110.397 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.512 HG13 ' HG3' ' A' ' 21' ' ' GLN . 2.1 t -64.38 123.06 16.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.589 HG13 ' HE2' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -110.32 -28.26 2.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.519 ' HG2' ' CD2' ' A' ' 115' ' ' TRP . 5.2 tptt -156.33 142.02 17.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.346 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.512 ' HG3' HG13 ' A' ' 18' ' ' VAL . 24.8 mt-30 -148.06 150.63 34.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.277 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 158.63 -161.4 31.77 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.473 1.108 . . . . 0.0 110.996 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.47 ' CE2' ' HB2' ' A' ' 38' ' ' ARG . 61.5 m-85 -121.04 121.39 37.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 0.761 . . . . 0.0 110.998 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.621 HD21 ' CD1' ' A' ' 115' ' ' TRP . 41.0 mt -112.59 169.36 8.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.56 1.162 . . . . 0.0 109.263 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.844 ' HB3' ' HB3' ' A' ' 105' ' ' GLN . . . -121.14 104.52 9.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 109.286 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 9.6 tttt -92.46 135.8 33.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.295 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -93.87 109.71 21.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.297 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -113.04 -169.3 17.37 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.476 1.11 . . . . 0.0 110.995 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -88.27 107.27 18.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.443 0.731 . . . . 0.0 109.614 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -174.43 154.24 2.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 80.0 mtt-85 -58.48 -55.23 37.77 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 110.314 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.46 170.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.43 ' OD1' ' O ' ' A' ' 34' ' ' TRP . 14.9 p30 -83.63 -160.19 0.42 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.947 ' CH2' HD22 ' A' ' 91' ' ' LEU . 11.7 m95 -52.08 144.71 11.61 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.4 ' O ' ' HA ' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -113.66 133.63 55.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.095 . . . . 0.0 109.285 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.6 t -80.89 128.28 38.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.432 1.082 . . . . 0.0 109.271 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.1 ttp180 -136.14 139.39 42.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 110.27 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.47 ' HB2' ' CE2' ' A' ' 23' ' ' TYR . 1.7 ttp85 -74.18 104.41 4.96 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.509 1.131 . . . . 0.0 110.317 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.573 ' CD1' ' HB2' ' A' ' 24' ' ' LEU . 8.7 m-85 -95.77 143.25 27.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.967 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.953 ' O ' HD12 ' A' ' 48' ' ' LEU . 10.3 p -126.52 135.79 62.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.108 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.756 ' HG ' HD13 ' A' ' 48' ' ' LEU . 0.5 OUTLIER -114.29 124.03 50.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.137 . . . . 0.0 109.34 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.441 ' NH1' ' CG2' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -128.27 164.67 22.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 110.291 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.589 ' HE2' HG13 ' A' ' 19' ' ' VAL . 2.0 pttt -137.96 141.06 40.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.469 ' N ' ' O ' ' A' ' 45' ' ' PRO . 9.1 t70 52.97 78.46 0.39 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.322 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.469 ' O ' ' N ' ' A' ' 44' ' ' ASP . 18.2 Cg_endo -75.04 173.13 59.52 Favored 'Cis proline' 0 C--N 1.359 1.129 0 C-N-CA 120.991 -2.504 . . . . 0.0 110.953 0.043 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 1.01 ' CB ' HD12 ' A' ' 122' ' ' LEU . . . -101.04 99.81 10.32 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.411 1.069 . . . . 0.0 109.326 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.585 ' CE2' ' CD ' ' A' ' 13' ' ' GLU . 8.6 m-85 -149.17 152.0 35.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.132 . . . . 0.0 111.004 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.953 HD12 ' O ' ' A' ' 40' ' ' VAL . 10.5 tp -127.27 114.06 17.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.247 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.584 ' CD2' HD21 ' A' ' 14' ' ' LEU . 58.4 m80 -115.63 164.2 14.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.584 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.629 ' C ' ' CD1' ' A' ' 51' ' ' TYR . 1.5 p90 -137.45 175.67 9.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.951 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.629 ' CD1' ' C ' ' A' ' 50' ' ' TYR . 26.4 m-85 -155.53 135.48 12.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 110.949 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -77.57 123.23 86.7 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -40.8 0.78 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.549 1.815 . . . . 0.0 111.004 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 48.2 t -46.5 -31.35 2.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 110.001 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 21.8 mmtt -93.2 -179.66 5.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.442 1.089 . . . . 0.0 109.297 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -129.17 75.91 1.68 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.257 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -143.13 160.83 39.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 110.258 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.476 ' O ' ' CE2' ' A' ' 51' ' ' TYR . 61.5 t30 -96.35 -36.17 10.95 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.125 . . . . 0.0 109.273 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 5.7 mtp180 -62.78 147.44 93.43 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.09 . . . . 0.0 110.291 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.624 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 18.2 Cg_endo -74.98 157.45 42.84 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.507 1.793 . . . . 0.0 111.005 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.6 HG23 ' HA ' ' A' ' 51' ' ' TYR . 2.1 t -72.05 -27.19 26.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -165.48 -118.32 0.43 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.534 1.146 . . . . 0.0 111.035 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.463 ' HA3' ' CD2' ' A' ' 49' ' ' HIS . . . 124.69 122.53 2.65 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.707 ' CZ ' HD23 ' A' ' 48' ' ' LEU . 4.7 p90 -115.65 153.12 31.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 0.779 . . . . 0.0 110.968 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.2 p -64.4 158.34 23.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.001 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.507 HD11 ' HB2' ' A' ' 48' ' ' LEU . 88.3 mt -115.93 -43.73 2.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.357 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -38.81 -59.12 0.99 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.267 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -96.68 54.92 1.42 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.485 1.115 . . . . 0.0 111.008 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.8 m -141.4 -178.12 5.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 0.783 . . . . 0.0 109.965 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.407 ' O ' ' N ' ' A' ' 95' ' ' ILE . 25.1 tp -154.53 152.24 29.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.513 ' CG1' ' CG ' ' A' ' 120' ' ' LYS . 11.5 p -130.89 150.02 34.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 18.4 m -163.67 160.26 22.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 109.971 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -96.26 157.5 15.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.754 HD12 ' HB2' ' A' ' 91' ' ' LEU . 1.1 mt -96.68 121.92 39.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 74' ' ' LEU . 0.4 OUTLIER -37.84 154.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.293 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -61.42 100.74 0.14 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.36 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.412 ' O ' ' C ' ' A' ' 78' ' ' GLY . 1.3 m-20 -165.18 137.02 4.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.544 1.152 . . . . 0.0 109.251 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 77' ' ' ASN . . . -36.31 -82.0 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.461 1.101 . . . . 0.0 111.032 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.747 HG11 ' ND2' ' A' ' 86' ' ' ASN . 7.7 p -123.89 132.76 24.31 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.48 0.753 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 79' ' ' VAL . 18.3 Cg_endo -75.03 -163.41 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.485 1.781 . . . . 0.0 110.976 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 17.2 m -42.95 102.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.569 1.168 . . . . 0.0 110.407 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.422 ' O ' ' C ' ' A' ' 83' ' ' VAL . . . 59.5 -88.54 0.03 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.477 1.11 . . . . 0.0 111.02 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.743 ' O ' HG12 ' A' ' 83' ' ' VAL . 18.9 t 38.39 67.18 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 0.777 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.29 151.31 0.37 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 103.0 -52.75 0.78 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.495 1.122 . . . . 0.0 110.995 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.747 ' ND2' HG11 ' A' ' 79' ' ' VAL . 1.2 m-20 57.58 100.03 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.484 0.755 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.59 ' CG1' HD21 ' A' ' 91' ' ' LEU . 2.5 t -108.04 -22.32 5.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.592 ' O ' HD11 ' A' ' 91' ' ' LEU . 9.4 pt20 43.85 -172.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 110.295 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.431 ' O ' ' NH2' ' A' ' 112' ' ' ARG . . . 99.93 24.22 10.02 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.55 1.156 . . . . 0.0 110.967 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.408 ' O ' ' CD ' ' A' ' 112' ' ' ARG . 95.9 m-20 60.44 50.76 5.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 0.756 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.947 HD22 ' CH2' ' A' ' 34' ' ' TRP . 2.0 mp -62.52 -178.61 0.2 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 109.284 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.586 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 28.9 p90 -139.86 159.98 40.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 111.0 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.429 ' HG2' ' CD2' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -126.84 164.93 20.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 53.8 t -125.38 105.74 15.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.263 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.693 HG23 ' CD2' ' A' ' 101' ' ' HIS . 54.9 mt -84.56 104.98 13.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 82.5 p -76.72 -162.07 0.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 110.416 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.87 -19.77 47.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.418 ' O ' ' C ' ' A' ' 99' ' ' ASP . 21.9 t70 -99.77 24.06 8.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.418 ' C ' ' O ' ' A' ' 98' ' ' ASP . 27.2 m-20 38.9 46.33 1.07 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.419 HG21 ' CZ ' ' A' ' 102' ' ' TYR . 20.9 m -75.52 -55.34 5.77 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.502 1.127 . . . . 0.0 110.386 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.693 ' CD2' HG23 ' A' ' 95' ' ' ILE . 6.5 m170 78.19 91.02 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.634 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.419 ' CZ ' HG21 ' A' ' 100' ' ' THR . 47.9 m-85 -98.14 106.52 18.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 -76.63 130.01 37.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 111.023 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.586 ' HB ' ' CZ ' ' A' ' 92' ' ' PHE . 20.8 mt -134.29 167.55 25.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.844 ' HB3' ' HB3' ' A' ' 25' ' ' ALA . 5.0 tt0 -123.03 147.09 47.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.266 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.651 ' HB3' ' HG3' ' A' ' 112' ' ' ARG . . . -105.86 155.4 19.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.359 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 29.2 m -61.19 -52.7 63.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 109.986 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 15.4 m -129.93 171.82 12.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.013 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.17 -49.18 69.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.21 -51.28 69.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.32 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.417 ' HG3' ' CD1' ' A' ' 115' ' ' TRP . 0.2 OUTLIER -46.07 -38.02 7.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 110.298 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.651 ' HG3' ' HB3' ' A' ' 106' ' ' ALA . 0.3 OUTLIER -62.15 -76.81 0.05 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.106 . . . . 0.0 110.293 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 112' ' ' ARG . . . -39.56 -36.27 0.38 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 109.361 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -69.8 -54.89 11.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 110.322 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' TRP . . . . . 0.621 ' CD1' HD21 ' A' ' 24' ' ' LEU . 45.3 m95 -56.83 -23.72 45.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 107.96 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.562 HD11 ' HB3' ' A' ' 92' ' ' PHE . 96.4 mt -83.79 -75.77 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 109.279 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 116' ' ' ILE . 2.1 tt0 -37.25 -38.98 0.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.563 1.164 . . . . 0.0 110.315 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.526 ' HB1' HD13 ' A' ' 41' ' ' LEU . . . -55.24 -64.01 0.98 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 109.296 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.604 HD12 ' O ' ' A' ' 115' ' ' TRP . 13.8 mt -46.59 -53.04 3.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.513 ' CG ' ' CG1' ' A' ' 71' ' ' VAL . 23.3 mttt -44.8 -45.24 9.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 15.6 mttt -51.9 -56.03 16.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 1.01 HD12 ' CB ' ' A' ' 46' ' ' ALA . 2.9 mm? -55.21 -54.92 37.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . 0.512 HG23 ' O ' ' A' ' 119' ' ' ILE . 50.4 p -56.14 -30.99 62.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 110.426 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . 0.404 ' N ' ' O ' ' A' ' 120' ' ' LYS . 60.7 p -177.09 124.3 0.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.012 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -79.15 115.96 4.22 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.504 1.128 . . . . 0.0 110.993 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 121.42 6.56 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.481 1.779 . . . . 0.0 111.0 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 40.82 87.79 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.132 . . . . 0.0 109.972 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -162.48 143.16 10.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.12 . . . . 0.0 110.009 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.505 1.128 . . . . 0.0 110.982 -179.968 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -158.47 117.4 3.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 0.795 . . . . 0.0 109.95 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.2 m 62.45 139.5 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 110.022 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.35 -138.78 3.58 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.522 1.139 . . . . 0.0 110.99 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 61.56 164.31 0.08 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.545 0.791 . . . . 0.0 109.977 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -178.39 164.98 1.76 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 110.008 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.96 -86.11 0.1 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.563 1.164 . . . . 0.0 110.995 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.6 m 53.9 100.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 0.753 . . . . 0.0 109.968 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.37 -60.76 0.41 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.262 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -143.79 131.64 21.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.03 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.8 m -84.68 167.53 16.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.566 1.166 . . . . 0.0 110.403 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.791 HG13 ' H ' ' A' ' 13' ' ' GLU . 2.0 p -148.39 -69.02 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.791 ' H ' HG13 ' A' ' 12' ' ' VAL . 43.3 mt-10 -57.4 -46.7 83.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.237 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.926 HD11 ' CG ' ' A' ' 49' ' ' HIS . 1.9 mm? -83.86 6.72 20.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.08 62.46 0.97 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.997 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.403 ' HA2' ' O ' ' A' ' 44' ' ' ASP . . . -141.76 166.25 26.28 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.463 1.102 . . . . 0.0 111.017 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.467 ' CB ' ' HD3' ' A' ' 43' ' ' LYS . 4.8 m -70.12 142.03 52.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 0.793 . . . . 0.0 110.402 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.437 HG13 ' HG3' ' A' ' 21' ' ' GLN . 2.2 t -76.68 125.65 36.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.731 HG13 ' HD2' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -108.27 -36.59 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.282 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.565 ' HG2' ' CD2' ' A' ' 115' ' ' TRP . 3.4 tptt -155.18 140.53 17.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.655 ' OE1' HG23 ' A' ' 40' ' ' VAL . 19.4 mt-30 -144.6 144.37 31.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 110.295 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 167.18 -166.63 39.35 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.5 1.125 . . . . 0.0 110.993 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.573 ' CE2' ' HB2' ' A' ' 38' ' ' ARG . 48.4 m-85 -118.48 121.55 40.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 0.785 . . . . 0.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.55 HD21 ' CD1' ' A' ' 115' ' ' TRP . 15.2 mt -114.39 173.78 6.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.262 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -120.16 109.62 15.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.097 . . . . 0.0 109.303 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.4 tttt -88.04 138.03 31.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -92.64 116.49 29.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 110.301 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.73 -106.93 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.453 1.096 . . . . 0.0 110.999 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -148.67 -64.86 0.24 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 0.758 . . . . 0.0 109.578 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.408 ' O ' ' N ' ' A' ' 32' ' ' LYS . 2.7 tttt -144.31 172.64 12.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.348 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 17.0 mtt180 62.06 -83.04 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.32 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 30' ' ' LYS . 0.5 OUTLIER -68.99 108.43 3.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.262 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -64.53 -155.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 26.0 m95 -65.52 144.07 57.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 108.006 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.87 128.26 43.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.268 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.5 t -73.94 118.06 18.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.639 ' HD3' HG21 ' A' ' 61' ' ' VAL . 3.8 mtm-85 -126.22 152.54 45.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.443 1.089 . . . . 0.0 110.305 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.573 ' HB2' ' CE2' ' A' ' 23' ' ' TYR . 0.8 OUTLIER -86.75 103.93 15.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 110.324 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -97.11 136.28 37.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.968 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.731 ' O ' HD12 ' A' ' 48' ' ' LEU . 10.6 p -120.58 137.43 54.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.63 ' HG ' HD13 ' A' ' 48' ' ' LEU . 0.6 OUTLIER -113.46 113.64 25.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 109.277 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.441 ' NH1' ' O ' ' A' ' 14' ' ' LEU . 1.6 mtp180 -120.22 146.65 45.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 110.301 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.731 ' HD2' HG13 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -119.69 159.84 23.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.137 . . . . 0.0 109.334 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.451 ' HA ' ' HA ' ' A' ' 45' ' ' PRO . 1.1 m-20 37.95 80.01 0.29 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.496 ' HB2' ' CD1' ' A' ' 47' ' ' PHE . 18.2 Cg_endo -74.98 164.49 88.27 Favored 'Cis proline' 0 C--N 1.36 1.148 0 C-N-CA 120.987 -2.505 . . . . 0.0 110.968 0.011 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.443 ' HB1' ' HB3' ' A' ' 122' ' ' LEU . . . -89.48 97.87 11.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 109.316 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.496 ' CD1' ' HB2' ' A' ' 45' ' ' PRO . 28.3 m-85 -141.98 174.8 10.26 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 0.0 110.975 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.731 HD12 ' O ' ' A' ' 40' ' ' VAL . 10.1 tp -149.4 113.59 5.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.266 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.926 ' CG ' HD11 ' A' ' 14' ' ' LEU . 39.7 m80 -119.81 159.77 23.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.577 1.173 . . . . 0.0 109.601 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.434 ' O ' HG23 ' A' ' 61' ' ' VAL . 25.0 p90 -140.61 141.89 35.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.943 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.63 ' HA ' HG23 ' A' ' 61' ' ' VAL . 30.7 m-85 -114.3 156.38 24.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 110.998 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.564 ' N ' ' CG2' ' A' ' 61' ' ' VAL . 2.3 p30 -95.55 129.65 34.18 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.349 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -39.68 1.11 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.523 1.801 . . . . 0.0 110.969 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 47.7 t -55.95 -42.12 75.71 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 0.0 110.003 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.8 mmpt? -104.33 -171.72 1.98 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.1 . . . . 0.0 109.321 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -128.06 -102.88 0.33 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 110.254 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 68.78 135.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 110.28 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.425 ' O ' ' CD ' ' A' ' 59' ' ' ARG . 37.7 m-20 -76.32 67.78 2.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.144 . . . . 0.0 109.328 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.425 ' CD ' ' O ' ' A' ' 58' ' ' ASN . 0.2 OUTLIER 164.68 167.42 0.07 OUTLIER Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 0.0 110.275 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.603 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 18.2 Cg_endo -74.98 174.67 12.38 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.507 1.793 . . . . 0.0 111.007 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.639 HG21 ' HD3' ' A' ' 37' ' ' ARG . 0.4 OUTLIER -86.33 -13.66 10.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.326 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.427 ' HA3' ' CZ ' ' A' ' 50' ' ' TYR . . . -170.85 -125.72 0.83 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.513 1.133 . . . . 0.0 110.976 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.528 ' HA3' ' CD2' ' A' ' 49' ' ' HIS . . . 120.12 130.59 3.99 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.676 ' CE2' HD23 ' A' ' 48' ' ' LEU . 8.8 p90 -133.15 148.15 52.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 0.787 . . . . 0.0 111.007 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 91.1 p -63.84 153.86 35.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.993 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.608 ' O ' HG22 ' A' ' 123' ' ' THR . 12.9 mt -108.66 -27.09 10.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.15 -54.59 1.75 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 110.307 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -107.32 44.79 1.41 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.485 1.116 . . . . 0.0 111.01 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.416 ' OG ' ' HA ' ' A' ' 66' ' ' LEU . 17.1 p -120.21 -177.99 3.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 0.77 . . . . 0.0 109.99 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 95' ' ' ILE . 29.5 tp -154.44 151.31 28.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.573 ' CG1' ' HG3' ' A' ' 120' ' ' LYS . 3.4 p -133.87 141.33 44.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.441 1.088 . . . . 0.0 109.309 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 18.6 m -150.7 160.35 43.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.986 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -98.34 158.02 15.83 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.103 . . . . 0.0 109.272 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.878 HD12 ' HB2' ' A' ' 91' ' ' LEU . 4.9 mt -102.7 93.85 5.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.251 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -122.29 167.17 13.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 110.315 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 69.85 138.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.318 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.7 m120 61.38 118.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -40.98 -70.3 0.42 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.445 1.09 . . . . 0.0 111.001 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.471 ' CG1' ' O ' ' A' ' 83' ' ' VAL . 97.9 t -64.61 133.86 95.83 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.455 0.738 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 128.45 11.45 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.495 1.787 . . . . 0.0 110.988 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.477 ' CB ' ' OH ' ' A' ' 103' ' ' TYR . 27.1 m 43.37 -102.7 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.422 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.45 ' N ' HG22 ' A' ' 81' ' ' THR . . . -128.87 18.76 5.6 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.52 1.137 . . . . 0.0 110.993 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.471 ' O ' ' CG1' ' A' ' 79' ' ' VAL . 40.5 t -57.95 140.3 16.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.494 0.761 . . . . 0.0 109.267 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.6 mmtt -51.59 -96.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.306 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -84.11 118.13 4.62 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.547 1.155 . . . . 0.0 111.011 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -40.51 151.53 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 0.726 . . . . 0.0 109.268 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.495 HG12 ' H ' ' A' ' 88' ' ' GLN . 2.1 t -99.5 -139.39 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.257 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.495 ' H ' HG12 ' A' ' 87' ' ' VAL . 8.2 mm100 -73.08 -79.38 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.556 1.16 . . . . 0.0 110.285 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 169.13 -68.83 0.16 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.502 1.126 . . . . 0.0 111.027 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 62.5 m-80 -74.67 61.37 0.97 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 0.744 . . . . 0.0 109.289 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.878 ' HB2' HD12 ' A' ' 74' ' ' LEU . 1.2 mp -100.06 -174.71 2.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.343 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.5 ' HB3' HD11 ' A' ' 116' ' ' ILE . 2.9 p90 -163.41 155.25 17.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 111.057 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.433 ' NZ ' HD11 ' A' ' 95' ' ' ILE . 0.4 OUTLIER -121.73 165.97 15.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 84.3 t -127.02 102.21 9.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.903 HG23 ' CD2' ' A' ' 101' ' ' HIS . 58.8 mt -88.21 116.22 29.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 14.4 p -88.22 -170.96 3.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 110.36 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.99 -14.56 62.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -97.48 16.15 21.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.26 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.614 ' C ' ' CD2' ' A' ' 101' ' ' HIS . 0.2 OUTLIER 43.49 31.56 0.44 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.35 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.441 HG21 ' CZ ' ' A' ' 102' ' ' TYR . 25.5 m -62.92 -55.82 22.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 110.392 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.903 ' CD2' HG23 ' A' ' 95' ' ' ILE . 4.6 m170 79.28 94.85 0.06 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.118 . . . . 0.0 109.594 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.441 ' CZ ' HG21 ' A' ' 100' ' ' THR . 60.1 m-85 -101.92 110.16 22.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 110.952 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.477 ' OH ' ' CB ' ' A' ' 81' ' ' THR . 5.0 m-85 -78.1 129.48 35.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.989 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.512 HG22 ' N ' ' A' ' 105' ' ' GLN . 57.2 mt -137.15 166.91 24.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.333 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.726 ' OE1' HD23 ' A' ' 91' ' ' LEU . 8.2 tp60 -128.87 151.53 49.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.318 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.624 ' HB1' ' HB3' ' A' ' 111' ' ' GLU . . . -107.0 163.17 13.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.261 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 34.5 t -65.41 -44.02 88.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.022 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -138.65 169.91 16.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.953 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.31 -38.9 66.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -70.73 -52.6 19.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.289 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.624 ' HB3' ' HB1' ' A' ' 106' ' ' ALA . 0.6 OUTLIER -42.05 -38.14 1.57 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 110.305 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.463 ' HG2' HD12 ' A' ' 116' ' ' ILE . 0.0 OUTLIER -64.32 -69.37 0.29 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 110.276 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 112' ' ' ARG . . . -38.93 -45.57 1.2 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 109.328 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -61.67 -57.48 11.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 110.312 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' TRP . . . . . 0.565 ' CD2' ' HG2' ' A' ' 20' ' ' LYS . 48.6 m95 -54.35 -33.51 59.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 107.954 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.5 HD11 ' HB3' ' A' ' 92' ' ' PHE . 62.4 mt -74.14 -76.37 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 116' ' ' ILE . 2.9 tt0 -34.96 -42.43 0.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.261 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.51 ' HB1' HD13 ' A' ' 41' ' ' LEU . . . -56.4 -66.41 0.44 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.418 ' O ' ' C ' ' A' ' 120' ' ' LYS . 80.0 mt -40.79 -59.98 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.573 ' HG3' ' CG1' ' A' ' 71' ' ' VAL . 0.2 OUTLIER -39.37 -51.37 2.08 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.261 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 12.4 mttt -45.77 -60.05 2.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.336 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.508 HD23 HD13 ' A' ' 66' ' ' LEU . 0.3 OUTLIER -48.36 -56.88 6.97 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . 0.608 HG22 ' O ' ' A' ' 66' ' ' LEU . 17.8 p -68.1 83.41 0.23 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.382 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 5.8 t -40.97 137.22 1.29 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 110.018 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 175.35 -149.02 9.85 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.464 1.103 . . . . 0.0 110.967 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 104.8 1.96 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.528 1.804 . . . . 0.0 111.007 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -107.21 154.24 21.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 110.004 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 27.0 t -132.68 128.63 37.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.985 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.479 1.112 . . . . 0.0 110.99 179.99 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.8 p 48.86 78.26 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 0.778 . . . . 0.0 109.994 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.3 t -59.43 139.26 57.24 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 109.972 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 67.48 65.86 2.58 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.448 1.093 . . . . 0.0 110.97 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -152.93 167.76 28.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.542 0.79 . . . . 0.0 109.974 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -120.05 94.39 4.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.006 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.51 -115.27 4.9 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.493 1.121 . . . . 0.0 110.978 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.8 m -144.99 166.78 24.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 0.776 . . . . 0.0 110.026 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -166.57 135.59 2.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -98.98 166.98 11.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.024 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.417 ' CG2' ' HB2' ' A' ' 14' ' ' LEU . 92.4 m -109.58 154.49 22.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.437 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.711 HG13 ' H ' ' A' ' 13' ' ' GLU . 2.7 p -139.55 -63.25 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.284 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.711 ' H ' HG13 ' A' ' 12' ' ' VAL . 76.8 mt-10 -57.2 -48.7 78.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 110.267 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.528 HD22 ' H ' ' A' ' 14' ' ' LEU . 0.7 OUTLIER -82.51 3.79 26.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.337 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -104.62 69.15 0.88 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 110.015 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -141.14 157.81 26.15 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.473 1.108 . . . . 0.0 111.015 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.3 m -68.02 115.8 7.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 0.774 . . . . 0.0 110.383 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.44 HG13 ' HG3' ' A' ' 21' ' ' GLN . 2.2 t -53.44 124.37 5.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.701 HG13 ' HE2' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -110.14 -30.48 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.349 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.544 ' HG2' ' CD2' ' A' ' 115' ' ' TRP . 3.3 tptt -154.87 143.48 20.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.772 ' NE2' HG23 ' A' ' 40' ' ' VAL . 10.9 mt-30 -146.72 149.85 34.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 0.0 110.316 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 160.17 -174.26 36.9 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.517 1.136 . . . . 0.0 111.036 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.563 ' CE2' ' HB2' ' A' ' 38' ' ' ARG . 76.9 m-85 -112.59 120.65 42.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 0.8 . . . . 0.0 111.013 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.774 HD22 ' O ' ' A' ' 105' ' ' GLN . 26.0 mt -115.43 167.63 10.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -113.66 105.67 13.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 18.3 tttt -85.36 130.69 34.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.511 ' HB2' ' CE2' ' A' ' 34' ' ' TRP . 0.1 OUTLIER -94.33 115.01 27.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.133 . . . . 0.0 110.294 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -111.01 -146.38 10.62 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.434 1.084 . . . . 0.0 111.023 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 11.2 t-80 -128.61 139.83 52.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 0.748 . . . . 0.0 109.63 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.7 mttt 59.42 176.08 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 109.316 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 68.86 -71.13 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 110.327 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -152.45 145.63 24.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.1 . . . . 0.0 109.328 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -67.5 -49.76 61.99 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.573 ' CZ2' HG21 ' A' ' 87' ' ' VAL . 64.7 m95 -135.78 130.45 34.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 108.003 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.28 122.5 28.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.3 t -60.64 136.69 24.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.562 1.164 . . . . 0.0 109.29 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.34 147.5 31.4 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 110.289 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.563 ' HB2' ' CE2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -80.76 102.89 10.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 0.0 110.263 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.489 ' CD1' ' HB2' ' A' ' 24' ' ' LEU . 15.7 m-85 -96.86 131.66 43.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.105 . . . . 0.0 111.018 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.869 ' O ' HD12 ' A' ' 48' ' ' LEU . 14.0 p -117.21 143.26 28.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.807 ' HG ' HD13 ' A' ' 48' ' ' LEU . 0.7 OUTLIER -117.63 144.6 45.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 76.9 mtt85 -139.76 164.48 29.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 0.0 110.305 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.701 ' HE2' HG13 ' A' ' 19' ' ' VAL . 3.0 pttt -141.35 143.18 33.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.459 ' N ' ' C ' ' A' ' 45' ' ' PRO . 8.7 t70 43.52 79.33 0.34 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.459 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.2 Cg_endo -74.96 169.79 73.57 Favored 'Cis proline' 0 C--N 1.36 1.165 0 C-N-CA 121.014 -2.494 . . . . 0.0 110.963 -0.037 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.454 ' HB1' ' HB3' ' A' ' 122' ' ' LEU . . . -97.9 108.5 21.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 0.0 109.309 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.517 ' CZ ' ' HG2' ' A' ' 13' ' ' GLU . 19.8 m-85 -150.06 167.91 25.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 111.022 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.869 HD12 ' O ' ' A' ' 40' ' ' VAL . 7.5 tp -148.91 113.66 5.38 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.636 ' O ' HG12 ' A' ' 40' ' ' VAL . 68.1 m80 -121.02 159.59 25.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.092 . . . . 0.0 109.624 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.459 ' HB3' ' CD2' ' A' ' 39' ' ' PHE . 32.0 p90 -142.78 142.82 31.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 110.987 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.941 ' HA ' HG23 ' A' ' 61' ' ' VAL . 16.4 m-85 -118.0 156.27 28.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.133 . . . . 0.0 110.985 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -85.68 122.99 73.09 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 0.33 9.06 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.428 1.752 . . . . 0.0 111.011 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 75.3 m -103.52 -51.1 3.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.093 . . . . 0.0 109.973 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 27.0 mmtt -68.98 179.54 1.81 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -148.53 101.96 3.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 110.277 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -153.44 155.6 36.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.274 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -86.76 66.11 9.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 109.277 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 171.94 160.39 0.25 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 110.284 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.623 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 18.5 Cg_endo -74.95 167.5 26.91 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.543 1.812 . . . . 0.0 111.02 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.941 HG23 ' HA ' ' A' ' 51' ' ' TYR . 4.9 t -84.39 -30.89 7.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -155.8 -117.42 0.57 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.484 1.115 . . . . 0.0 110.984 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.447 ' HA3' ' CD2' ' A' ' 49' ' ' HIS . . . 100.95 129.17 6.6 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.756 ' CZ ' HD23 ' A' ' 48' ' ' LEU . 9.8 p90 -122.18 149.52 43.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 0.779 . . . . 0.0 111.017 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 11.0 p -74.47 131.39 40.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.018 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 68' ' ' GLY . 80.2 mt -71.11 -44.7 65.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 109.263 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 11.8 mmt180 -40.28 95.93 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.545 1.153 . . . . 0.0 110.272 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 66' ' ' LEU . . . 96.2 38.3 4.6 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.462 1.101 . . . . 0.0 110.998 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 66' ' ' LEU . 8.8 m -122.91 -179.18 4.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.437 0.728 . . . . 0.0 109.95 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.996 HD13 ' N ' ' A' ' 71' ' ' VAL . 3.0 tm? -156.24 157.14 35.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.324 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.996 ' N ' HD13 ' A' ' 70' ' ' LEU . 3.0 p -142.07 141.57 28.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.1 m -148.74 163.52 37.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.985 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -95.85 153.81 17.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 109.329 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.841 HD12 ' HB2' ' A' ' 91' ' ' LEU . 0.7 OUTLIER -97.03 174.23 6.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 109.289 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -70.28 140.81 52.41 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 110.299 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -108.94 85.59 2.13 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 178.59 84.98 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.414 ' O ' ' O ' ' A' ' 79' ' ' VAL . . . 46.72 93.27 0.01 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.43 1.081 . . . . 0.0 111.012 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.618 HG23 ' HA ' ' A' ' 86' ' ' ASN . 0.5 OUTLIER 61.77 139.37 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.466 0.745 . . . . 0.0 109.265 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 79' ' ' VAL . 18.2 Cg_endo -75.0 -79.62 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.578 1.831 . . . . 0.0 110.996 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 33.8 p -123.49 -124.54 0.26 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.406 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -87.98 39.25 3.12 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.507 1.129 . . . . 0.0 111.021 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 53.4 t -87.36 99.71 8.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.475 0.75 . . . . 0.0 109.334 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.59 136.97 4.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.333 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 111.02 -126.28 7.72 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.535 1.147 . . . . 0.0 110.944 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.618 ' HA ' HG23 ' A' ' 79' ' ' VAL . 1.9 m120 -153.99 -45.4 0.09 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 0.774 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.622 HG13 HD11 ' A' ' 91' ' ' LEU . 0.3 OUTLIER 49.92 175.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 109.295 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -76.28 -161.96 0.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.319 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -132.56 47.68 1.0 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.465 1.103 . . . . 0.0 111.012 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 17.6 p-10 -174.04 47.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.569 0.805 . . . . 0.0 109.286 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.841 ' HB2' HD12 ' A' ' 74' ' ' LEU . 0.6 OUTLIER -106.07 -174.61 2.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.667 ' HB3' HD11 ' A' ' 116' ' ' ILE . 36.9 p90 -147.37 177.28 9.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 110.975 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.42 ' HG2' ' CD2' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -143.28 163.94 31.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 55.2 t -122.0 118.22 54.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.137 . . . . 0.0 109.293 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.584 HG23 ' CD2' ' A' ' 101' ' ' HIS . 61.1 mt -99.94 101.13 11.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 18.0 p -73.55 -168.72 0.59 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.389 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.48 -9.8 58.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.335 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -101.88 13.78 33.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.269 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.461 ' C ' ' CD2' ' A' ' 101' ' ' HIS . 5.5 m-20 42.8 43.11 3.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 16.2 m -73.58 -52.62 12.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.377 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.584 ' CD2' HG23 ' A' ' 95' ' ' ILE . 3.6 m170 79.68 83.71 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.559 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -89.86 112.49 23.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.982 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 -79.11 118.81 21.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.997 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.435 HG22 ' N ' ' A' ' 105' ' ' GLN . 70.2 mt -125.22 162.24 28.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 109.271 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.774 ' O ' HD22 ' A' ' 24' ' ' LEU . 5.9 tt0 -120.15 155.07 33.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 110.336 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.471 ' HA ' HD22 ' A' ' 24' ' ' LEU . . . -111.26 154.04 25.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.252 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.7 t -67.23 -52.25 43.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.45 1.093 . . . . 0.0 109.993 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.16 168.44 17.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.017 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -47.76 -55.53 9.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -54.79 -54.91 35.96 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.498 ' HG3' ' CD1' ' A' ' 115' ' ' TRP . 0.8 OUTLIER -43.44 -37.9 2.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 110.333 179.94 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.453 ' HA ' ' HB2' ' A' ' 106' ' ' ALA . 0.0 OUTLIER -56.46 -73.08 0.07 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 110.299 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.491 ' O ' ' N ' ' A' ' 117' ' ' GLU . . . -48.45 -48.96 37.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.441 ' OE1' ' NZ ' ' A' ' 20' ' ' LYS . 3.0 mt-10 -47.22 -67.39 0.28 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 110.307 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' TRP . . . . . 0.544 ' CD2' ' HG2' ' A' ' 20' ' ' LYS . 72.6 m95 -49.22 -45.51 44.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 107.999 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.667 HD11 ' HB3' ' A' ' 92' ' ' PHE . 14.2 mt -57.65 -78.42 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 113' ' ' ALA . 0.8 OUTLIER -38.32 -45.98 1.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 110.283 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.401 ' HB1' HD13 ' A' ' 41' ' ' LEU . . . -48.55 -54.26 15.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.602 ' O ' HG23 ' A' ' 123' ' ' THR . 6.1 mt -53.89 -54.7 18.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.751 ' HD2' HG13 ' A' ' 71' ' ' VAL . 0.0 OUTLIER -51.68 -51.36 56.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.338 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 21.5 mttt -40.31 -60.29 1.12 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.328 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.454 ' HB3' ' HB1' ' A' ' 46' ' ' ALA . 0.7 OUTLIER -52.13 -55.38 21.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 109.317 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . 0.602 HG23 ' O ' ' A' ' 119' ' ' ILE . 24.2 p -67.16 75.21 0.13 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.392 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 34.0 t -179.33 -59.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.982 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 77.28 73.58 1.04 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.498 1.124 . . . . 0.0 111.02 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -56.18 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.507 1.793 . . . . 0.0 110.995 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 17.2 m -151.28 153.3 34.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 110.022 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 51.89 91.76 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 109.98 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.496 1.122 . . . . 0.0 110.956 -179.979 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 111.019 -0.833 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 58.68 97.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 0.775 . . . . 0.0 109.975 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 m -162.44 169.63 20.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 110.014 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.12 103.02 0.18 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.519 1.137 . . . . 0.0 110.96 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -142.64 165.2 28.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 0.77 . . . . 0.0 110.014 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.6 m -129.3 141.38 51.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.565 1.166 . . . . 0.0 110.006 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -106.36 -157.78 21.77 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.574 1.172 . . . . 0.0 111.03 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -134.18 -57.15 0.86 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 0.741 . . . . 0.0 110.028 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.45 56.98 1.18 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 13.5 p -142.72 93.83 2.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 110.031 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.442 HG21 ' HB2' ' A' ' 14' ' ' LEU . 74.3 m -78.22 161.03 27.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 110.4 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.735 HG13 ' H ' ' A' ' 13' ' ' GLU . 2.4 p -146.07 -65.22 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.569 1.168 . . . . 0.0 109.269 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.735 ' H ' HG13 ' A' ' 12' ' ' VAL . 73.2 mt-10 -57.01 -47.44 80.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 110.326 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.653 HD21 ' CD2' ' A' ' 49' ' ' HIS . 0.7 OUTLIER -82.03 -11.24 58.92 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -84.75 49.29 1.68 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.554 1.159 . . . . 0.0 110.026 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -121.71 156.3 16.58 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.499 1.124 . . . . 0.0 110.94 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.3 m -69.24 125.02 25.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 0.761 . . . . 0.0 110.418 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.538 HG13 ' HG3' ' A' ' 21' ' ' GLN . 2.3 t -61.12 121.91 10.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.638 HG13 ' HE2' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -110.31 -31.74 2.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.528 ' HG2' ' CE3' ' A' ' 115' ' ' TRP . 3.1 tptt -151.23 140.47 21.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.359 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.538 ' HG3' HG13 ' A' ' 18' ' ' VAL . 24.4 mt-30 -145.3 151.37 38.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.299 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 157.03 -169.44 34.17 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.523 1.139 . . . . 0.0 110.996 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.483 ' O ' HD23 ' A' ' 24' ' ' LEU . 79.9 m-85 -112.22 134.2 53.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 0.787 . . . . 0.0 111.009 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.597 HD11 ' CD2' ' A' ' 115' ' ' TRP . 25.6 mt -134.63 167.52 20.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.133 . . . . 0.0 109.271 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.502 ' HB3' ' HB3' ' A' ' 105' ' ' GLN . . . -109.07 138.38 45.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.345 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 13.0 tttt -107.59 106.76 17.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.095 . . . . 0.0 109.318 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.508 ' HA ' ' CG ' ' A' ' 34' ' ' TRP . 14.1 tt0 -56.76 118.1 4.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.277 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -144.2 -74.71 0.03 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.462 1.101 . . . . 0.0 110.987 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -178.66 138.82 0.17 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 0.768 . . . . 0.0 109.549 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -180.0 176.85 0.7 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 7.5 mmt180 -38.86 -77.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 110.313 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -108.67 -96.23 0.39 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.423 ' H ' ' ND2' ' A' ' 33' ' ' ASN . 2.7 p30 -72.67 -175.3 1.63 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.335 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.614 ' N ' ' CD1' ' A' ' 34' ' ' TRP . 0.0 OUTLIER -84.44 -169.33 2.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 108.01 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.421 ' O ' ' HA ' ' A' ' 25' ' ' ALA . 0.5 OUTLIER -104.4 161.47 14.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.113 . . . . 0.0 109.337 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.0 t -100.16 142.64 15.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.467 1.104 . . . . 0.0 109.268 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -143.77 155.34 44.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.313 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.42 ' O ' ' HA ' ' A' ' 50' ' ' TYR . 10.9 ttp85 -84.38 105.03 14.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 110.246 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.526 ' CD1' ' HB2' ' A' ' 24' ' ' LEU . 25.6 m-85 -97.14 136.56 37.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 111.016 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.886 ' O ' HD12 ' A' ' 48' ' ' LEU . 11.8 p -121.6 139.52 48.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.698 ' HG ' HD13 ' A' ' 48' ' ' LEU . 0.3 OUTLIER -114.44 134.89 54.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.447 ' NH1' ' O ' ' A' ' 14' ' ' LEU . 88.8 mtt-85 -132.2 161.51 33.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.318 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.638 ' HE2' HG13 ' A' ' 19' ' ' VAL . 2.7 pttt -136.79 141.09 42.92 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.475 ' N ' ' O ' ' A' ' 45' ' ' PRO . 2.4 m-20 49.42 80.02 0.32 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.491 ' CG ' ' O ' ' A' ' 12' ' ' VAL . 18.2 Cg_endo -74.98 174.23 53.75 Favored 'Cis proline' 0 C--N 1.36 1.144 0 C-N-CA 121.012 -2.495 . . . . 0.0 110.978 -0.029 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.984 ' HB1' ' HB3' ' A' ' 122' ' ' LEU . . . -99.9 105.97 17.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.081 . . . . 0.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.431 ' CZ ' ' HG2' ' A' ' 13' ' ' GLU . 37.3 m-85 -150.42 168.89 22.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 110.999 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.886 HD12 ' O ' ' A' ' 40' ' ' VAL . 12.9 tp -143.7 114.43 7.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 109.305 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.653 ' CD2' HD21 ' A' ' 14' ' ' LEU . 59.3 m80 -116.24 164.19 14.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 109.547 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.42 ' HA ' ' O ' ' A' ' 38' ' ' ARG . 38.5 p90 -148.03 144.52 27.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 111.016 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.919 ' HA ' HG23 ' A' ' 61' ' ' VAL . 8.5 m-85 -118.65 155.38 31.1 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 110.984 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.43 ' OD2' ' N ' ' A' ' 55' ' ' LYS . 29.7 t70 -83.61 120.67 75.69 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 109.298 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -5.38 16.69 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.505 1.792 . . . . 0.0 110.96 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.21 -48.05 5.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.447 1.092 . . . . 0.0 110.009 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.43 ' N ' ' OD2' ' A' ' 52' ' ' ASP . 6.5 mmtt -73.95 -175.92 2.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.102 . . . . 0.0 109.268 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -150.64 104.62 3.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 110.286 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -155.67 154.45 31.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.147 . . . . 0.0 110.33 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 34.5 m-80 -86.86 68.03 9.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.455 1.097 . . . . 0.0 109.292 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 170.07 161.61 0.2 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 110.313 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.62 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 18.1 Cg_endo -74.99 169.16 23.24 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.511 1.795 . . . . 0.0 110.968 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.919 HG23 ' HA ' ' A' ' 51' ' ' TYR . 4.5 t -89.45 -30.63 5.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.128 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -154.58 -116.34 0.58 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.458 1.099 . . . . 0.0 111.015 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.503 ' HA3' ' CD2' ' A' ' 49' ' ' HIS . . . 107.02 131.51 6.73 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.832 ' CZ ' HD23 ' A' ' 48' ' ' LEU . 1.4 p90 -126.44 156.5 40.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 0.768 . . . . 0.0 110.991 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.3 t -69.46 150.09 47.58 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.501 1.126 . . . . 0.0 110.006 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.725 ' O ' HG22 ' A' ' 123' ' ' THR . 77.8 mt -104.38 -37.64 7.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 66' ' ' LEU . 1.1 mmt180 -37.63 -57.24 0.98 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 110.263 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -101.77 50.67 0.96 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.512 1.133 . . . . 0.0 111.0 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 24.3 p -130.52 -178.24 4.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 0.765 . . . . 0.0 110.013 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 1.032 HD13 ' N ' ' A' ' 71' ' ' VAL . 3.1 tm? -152.69 153.37 33.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.345 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 1.032 ' N ' HD13 ' A' ' 70' ' ' LEU . 7.3 p -138.85 140.19 39.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.7 p -144.65 171.56 14.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 110.02 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -111.66 156.27 22.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.554 HD12 ' HB2' ' A' ' 91' ' ' LEU . 0.9 OUTLIER -102.28 138.91 38.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -99.84 174.67 6.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 110.276 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 63.94 144.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 24.4 p30 -107.46 173.41 6.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.277 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 64.83 75.26 0.4 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.486 1.116 . . . . 0.0 110.984 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.79 HG22 ' HA ' ' A' ' 86' ' ' ASN . 54.3 t 63.12 129.82 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.536 0.786 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 79' ' ' VAL . 18.2 Cg_endo -75.02 -89.91 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.501 1.79 . . . . 0.0 110.99 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 3.3 m -140.06 97.48 3.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 110.397 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 46.0 60.96 4.19 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.496 1.122 . . . . 0.0 110.989 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 3.0 t -116.16 152.38 17.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.463 0.743 . . . . 0.0 109.275 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 3.6 mmpt? -50.3 158.2 0.6 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 109.294 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 38.9 -137.32 1.01 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.509 1.131 . . . . 0.0 110.998 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.79 ' HA ' HG22 ' A' ' 79' ' ' VAL . 0.1 OUTLIER -135.7 15.29 3.38 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 0.754 . . . . 0.0 109.326 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.557 HG12 ' CZ2' ' A' ' 34' ' ' TRP . 15.9 m 44.89 -170.12 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.5 ' CG ' HD21 ' A' ' 91' ' ' LEU . 4.0 mm-40 -84.41 -52.87 5.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.29 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 139.62 -16.43 3.1 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.536 1.147 . . . . 0.0 111.022 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 22.0 m120 -135.6 48.91 2.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.554 0.797 . . . . 0.0 109.28 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.554 ' HB2' HD12 ' A' ' 74' ' ' LEU . 4.7 mt -77.53 -164.1 0.45 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 109.317 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.573 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 32.0 p90 -164.54 151.99 11.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 111.007 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.74 ' NZ ' HD11 ' A' ' 95' ' ' ILE . 0.0 OUTLIER -109.8 160.7 16.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.497 HG13 ' O ' ' A' ' 70' ' ' LEU . 96.2 t -135.6 105.28 5.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.74 HD11 ' NZ ' ' A' ' 93' ' ' LYS . 11.9 mt -86.9 116.29 29.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 31.5 p -92.45 172.99 8.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.428 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -56.93 -17.33 9.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.66 19.12 3.56 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 47.21 33.48 2.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 66.8 m -104.2 118.82 37.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.566 1.166 . . . . 0.0 110.368 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.584 ' CD2' HG23 ' A' ' 95' ' ' ILE . 13.8 m170 -85.85 100.61 12.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.613 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -90.91 100.1 13.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 110.962 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -74.71 114.3 12.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 111.03 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.573 ' HB ' ' CZ ' ' A' ' 92' ' ' PHE . 61.8 mt -111.67 160.01 11.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.502 ' HB3' ' HB3' ' A' ' 25' ' ' ALA . 11.8 tt0 -113.58 141.46 47.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.328 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.429 ' HB1' ' HB3' ' A' ' 111' ' ' GLU . . . -105.39 148.8 26.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.56 -45.91 84.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 109.988 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.7 -176.5 4.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 109.992 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 8.8 tmtt? -64.06 -36.78 85.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 111' ' ' GLU . . . -74.2 -53.91 8.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.564 1.165 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.429 ' HB3' ' HB1' ' A' ' 106' ' ' ALA . 0.7 OUTLIER -38.09 -41.12 0.55 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 110.319 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.417 ' HB2' ' CB ' ' A' ' 106' ' ' ALA . 9.8 ttp180 -64.82 -68.9 0.32 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.317 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 112' ' ' ARG . . . -40.31 -40.35 1.14 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 42.2 mm-40 -68.2 -58.85 3.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.278 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' TRP . . . . . 0.597 ' CD2' HD11 ' A' ' 24' ' ' LEU . 52.3 m95 -53.35 -24.34 11.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 107.978 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.457 HG22 ' CE ' ' A' ' 120' ' ' LYS . 39.1 mt -81.63 -77.01 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 116' ' ' ILE . 2.1 tt0 -35.69 -40.82 0.19 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 110.264 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.428 ' O ' ' N ' ' A' ' 121' ' ' LYS . . . -56.51 -68.1 0.24 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.553 HD12 ' O ' ' A' ' 115' ' ' TRP . 27.0 mt -40.81 -59.72 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.659 ' HD2' HG13 ' A' ' 71' ' ' VAL . 0.0 OUTLIER -38.75 -41.73 0.74 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 109.256 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.449 ' O ' ' CA ' ' A' ' 125' ' ' GLY . 15.0 mttt -58.84 -58.43 8.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 109.343 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.984 ' HB3' ' HB1' ' A' ' 46' ' ' ALA . 0.3 OUTLIER -51.15 -57.11 9.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.245 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . 0.725 HG22 ' O ' ' A' ' 66' ' ' LEU . 18.4 p -51.6 -102.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 110.383 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 123' ' ' THR . 0.1 OUTLIER -37.58 -57.79 0.93 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.995 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . 0.449 ' CA ' ' O ' ' A' ' 121' ' ' LYS . . . 137.93 156.16 7.08 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.495 1.122 . . . . 0.0 110.992 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -163.53 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.513 1.796 . . . . 0.0 110.989 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 42.96 83.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.01 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 33.7 t -126.55 -55.18 1.43 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.988 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.946 0 O-C-N 124.525 1.141 . . . . 0.0 111.02 179.986 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 62.0 152.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.447 0.734 . . . . 0.0 110.022 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.5 t -136.17 -57.9 0.75 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 110.015 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.29 -157.54 28.89 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.473 1.108 . . . . 0.0 110.973 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.7 p -166.51 155.42 10.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 0.769 . . . . 0.0 109.986 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.2 m -122.71 160.94 24.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.967 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -113.32 126.16 7.31 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.492 1.12 . . . . 0.0 110.986 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 177.71 -59.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 0.777 . . . . 0.0 110.008 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 67.51 60.36 0.48 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 80.5 p -144.83 115.07 7.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.127 . . . . 0.0 110.032 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.1 m -120.25 156.31 31.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 110.417 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.737 HG13 ' H ' ' A' ' 13' ' ' GLU . 2.5 p -142.31 -64.93 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.737 ' H ' HG13 ' A' ' 12' ' ' VAL . 40.5 mt-10 -58.62 -46.71 86.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.308 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.732 HD21 ' CD2' ' A' ' 49' ' ' HIS . 0.5 OUTLIER -87.6 5.05 41.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.419 ' HB2' ' CA ' ' A' ' 12' ' ' VAL . 0.1 OUTLIER -90.66 -14.22 32.71 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.501 1.126 . . . . 0.0 109.966 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -57.6 155.87 18.22 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.522 1.139 . . . . 0.0 110.975 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.9 m -68.19 126.24 28.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 0.778 . . . . 0.0 110.423 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.497 HG13 ' HG3' ' A' ' 21' ' ' GLN . 2.2 t -60.9 121.24 8.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 109.302 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.518 HG13 ' HE2' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -110.81 -31.11 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.52 ' HG2' ' CD2' ' A' ' 115' ' ' TRP . 4.4 tptt -151.56 143.1 23.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 109.334 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.502 ' HG2' HG23 ' A' ' 40' ' ' VAL . 27.3 mt-30 -150.98 153.57 35.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 110.301 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 156.54 -158.18 28.52 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.53 1.144 . . . . 0.0 111.014 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.465 ' CE2' ' HB2' ' A' ' 38' ' ' ARG . 31.4 m-85 -122.89 124.87 44.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 0.783 . . . . 0.0 110.995 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.656 HD21 ' CD1' ' A' ' 115' ' ' TRP . 26.7 mt -116.83 169.09 9.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.903 ' HB3' ' HB3' ' A' ' 105' ' ' GLN . . . -114.86 109.88 18.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.1 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 73.3 tttt -96.63 110.51 22.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.267 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -63.69 127.58 31.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.282 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -117.72 -131.31 4.48 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.476 1.11 . . . . 0.0 111.033 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -172.25 168.42 5.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 0.771 . . . . 0.0 109.554 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.4 tmtt? 74.29 -68.56 0.21 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.333 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -100.77 121.01 40.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 110.324 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.3 175.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 37.9 m-80 -102.42 -47.1 4.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.251 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.749 ' CZ2' HG21 ' A' ' 87' ' ' VAL . 39.7 m95 -133.56 125.27 28.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 108.012 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.82 133.93 55.5 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.431 ' O ' ' NH1' ' A' ' 37' ' ' ARG . 2.1 t -69.95 143.56 14.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.448 ' HB2' ' NH1' ' A' ' 37' ' ' ARG . 0.2 OUTLIER -146.64 133.93 20.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.275 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.465 ' HB2' ' CE2' ' A' ' 23' ' ' TYR . 10.8 ttp180 -75.25 103.94 5.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 110.311 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.465 ' CD1' ' HB2' ' A' ' 24' ' ' LEU . 12.9 m-85 -96.71 150.87 20.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.729 ' O ' HD12 ' A' ' 48' ' ' LEU . 14.6 p -135.95 132.78 50.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.342 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.701 ' HG ' HD13 ' A' ' 48' ' ' LEU . 0.5 OUTLIER -109.92 141.89 42.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.33 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.43 ' CD ' ' HA ' ' A' ' 14' ' ' LEU . 3.2 mtt85 -139.86 166.63 24.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.314 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.518 ' HE2' HG13 ' A' ' 19' ' ' VAL . 0.9 OUTLIER -132.81 145.35 50.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.464 1.102 . . . . 0.0 109.31 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.431 ' HA ' ' HA ' ' A' ' 45' ' ' PRO . 1.9 t0 49.99 97.48 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.675 ' O ' ' HB3' ' A' ' 46' ' ' ALA . 18.3 Cg_endo -74.98 -3.97 19.97 Favored 'Cis proline' 0 C--N 1.361 1.197 0 C-N-CA 121.005 -2.498 . . . . 0.0 111.011 -0.003 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.893 ' HB1' ' HG ' ' A' ' 122' ' ' LEU . . . 82.7 122.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.586 ' CE1' ' OE1' ' A' ' 13' ' ' GLU . 4.5 m-85 -159.98 156.36 26.96 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.479 1.112 . . . . 0.0 110.969 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.729 HD12 ' O ' ' A' ' 40' ' ' VAL . 55.7 tp -124.65 113.7 18.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.147 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.732 ' CD2' HD21 ' A' ' 14' ' ' LEU . 47.8 m80 -123.21 157.02 33.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.633 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.599 ' C ' ' CD1' ' A' ' 51' ' ' TYR . 13.7 p90 -133.08 176.57 8.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 110.978 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.885 ' HA ' HG23 ' A' ' 61' ' ' VAL . 26.8 m-85 -151.49 147.41 26.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 111.015 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -84.69 115.63 61.6 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -0.59 10.14 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.537 1.809 . . . . 0.0 110.971 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 7.1 t -93.99 -10.78 32.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.021 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.5 mmtt -133.71 -171.24 2.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.13 . . . . 0.0 109.284 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -121.39 -103.77 0.4 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.307 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 69.93 154.56 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.334 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 49.2 m-20 -100.93 63.69 1.03 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 168.13 161.34 0.15 Allowed Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.452 1.095 . . . . 0.0 110.347 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.597 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 18.4 Cg_endo -74.99 159.78 40.98 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.476 1.777 . . . . 0.0 111.012 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.885 HG23 ' HA ' ' A' ' 51' ' ' TYR . 3.5 t -68.25 -32.49 56.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -165.73 -134.48 1.68 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.502 1.126 . . . . 0.0 111.038 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.486 ' HA3' ' CD2' ' A' ' 49' ' ' HIS . . . 137.06 141.07 4.19 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.486 ' CD1' ' N ' ' A' ' 64' ' ' PHE . 2.9 p90 -133.33 155.76 48.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 0.753 . . . . 0.0 111.006 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 98.4 p -70.59 160.81 31.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.568 1.168 . . . . 0.0 110.029 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.858 HD13 HD23 ' A' ' 122' ' ' LEU . 69.7 mt -112.51 -37.16 5.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -37.37 -60.73 0.65 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 110.279 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -96.28 55.85 1.49 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.476 1.11 . . . . 0.0 110.991 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.0 m -143.12 -173.85 4.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 0.755 . . . . 0.0 110.026 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.681 ' O ' HG13 ' A' ' 94' ' ' VAL . 0.8 OUTLIER -152.48 168.46 25.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.267 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.486 ' CG1' ' HG2' ' A' ' 120' ' ' LYS . 10.2 p -152.98 145.03 15.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.2 m -157.78 165.84 34.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 110.06 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -89.44 161.83 16.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.561 HD21 ' HB3' ' A' ' 93' ' ' LYS . 6.5 mt -115.0 -164.32 0.93 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.333 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.449 ' CB ' ' O ' ' A' ' 74' ' ' LEU . 0.4 OUTLIER 82.33 61.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 0.0 110.297 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -88.14 79.35 7.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.325 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.402 ' O ' ' O ' ' A' ' 78' ' ' GLY . 2.7 m120 58.77 70.86 0.62 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 77' ' ' ASN . . . 59.73 122.55 0.01 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.458 1.099 . . . . 0.0 111.01 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.705 HG22 ' HB2' ' A' ' 86' ' ' ASN . 71.3 t 62.17 127.12 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.531 0.783 . . . . 0.0 109.321 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.524 ' HG2' HG21 ' A' ' 83' ' ' VAL . 18.1 Cg_endo -75.03 -163.92 0.21 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.501 1.79 . . . . 0.0 110.951 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 30.0 m -83.55 118.33 23.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.396 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 38.35 87.35 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.503 1.127 . . . . 0.0 111.014 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.524 HG21 ' HG2' ' A' ' 80' ' ' PRO . 3.8 t -142.45 134.77 26.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.554 0.796 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.78 143.08 5.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.301 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 54.9 -111.8 2.44 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.516 1.135 . . . . 0.0 111.011 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.705 ' HB2' HG22 ' A' ' 79' ' ' VAL . 17.2 p-10 -173.05 89.87 0.08 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 0.747 . . . . 0.0 109.266 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.789 HG13 HD13 ' A' ' 91' ' ' LEU . 1.1 p -79.67 151.54 4.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -153.75 164.42 38.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.26 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 108.73 -159.17 14.29 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.501 1.126 . . . . 0.0 111.053 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -79.86 84.12 5.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 0.741 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.789 HD13 HG13 ' A' ' 87' ' ' VAL . 1.5 mt -113.51 179.33 3.99 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.433 1.083 . . . . 0.0 109.262 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.455 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 20.6 p90 -172.98 156.24 3.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 110.983 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.627 ' NZ ' HD11 ' A' ' 95' ' ' ILE . 0.0 OUTLIER -120.94 162.22 20.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.681 HG13 ' O ' ' A' ' 70' ' ' LEU . 52.4 t -131.05 108.29 14.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.627 HD11 ' NZ ' ' A' ' 93' ' ' LYS . 14.0 mt -86.36 112.13 22.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 33.8 p -86.2 -179.56 6.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 110.427 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.1 -13.81 40.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -95.6 8.98 41.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 15.8 t70 62.29 21.57 12.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.311 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 87.3 m -84.47 123.17 29.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 110.438 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.573 ' CD2' HG12 ' A' ' 95' ' ' ILE . 21.2 m170 -93.53 108.51 20.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 109.585 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -94.54 102.43 14.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 110.984 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 54.7 m-85 -75.72 116.61 16.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 111.03 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.465 HG22 ' N ' ' A' ' 105' ' ' GLN . 64.7 mt -127.66 164.16 29.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.903 ' HB3' ' HB3' ' A' ' 25' ' ' ALA . 26.4 tt0 -121.5 144.73 48.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.272 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.406 ' HA ' HD22 ' A' ' 24' ' ' LEU . . . -99.99 154.87 18.04 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.444 1.09 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.3 t -58.93 -52.23 66.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.987 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.66 179.22 5.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 109.947 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? -61.45 -42.9 99.48 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -68.43 -51.6 42.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.452 ' HG3' ' CD1' ' A' ' 115' ' ' TRP . 1.0 OUTLIER -42.55 -38.38 1.95 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.296 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.407 ' HG2' ' CD1' ' A' ' 116' ' ' ILE . 35.2 ttp180 -62.69 -70.22 0.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.309 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -44.91 -37.07 3.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 109.29 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -69.04 -54.26 16.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.312 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' TRP . . . . . 0.694 ' O ' HD12 ' A' ' 119' ' ' ILE . 46.8 m95 -57.37 -27.43 62.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 107.993 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.417 ' O ' ' C ' ' A' ' 117' ' ' GLU . 83.1 mt -78.28 -76.35 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 109.263 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 116' ' ' ILE . 2.5 tt0 -36.38 -41.19 0.27 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.453 1.096 . . . . 0.0 110.267 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.453 ' HB1' HD13 ' A' ' 41' ' ' LEU . . . -57.13 -60.28 3.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.694 HD12 ' O ' ' A' ' 115' ' ' TRP . 17.7 mt -53.51 -45.25 58.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.486 ' HG2' ' CG1' ' A' ' 71' ' ' VAL . 29.4 mttt -46.28 -52.37 12.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 15.6 mttt -47.98 -60.23 2.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 109.276 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.893 ' HG ' ' HB1' ' A' ' 46' ' ' ALA . 0.1 OUTLIER -47.68 -56.22 7.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 109.289 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . 0.591 HG23 ' O ' ' A' ' 119' ' ' ILE . 19.3 p -69.28 172.52 6.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 110.438 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -58.58 125.84 25.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.992 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 113.58 99.72 2.38 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.473 1.108 . . . . 0.0 111.057 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -53.22 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.448 1.762 . . . . 0.0 111.029 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 32.1 t 54.93 91.44 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.066 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 9.5 m -151.97 -59.96 0.16 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 110.018 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.488 1.117 . . . . 0.0 110.958 179.971 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.3 m -79.15 146.65 33.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 0.767 . . . . 0.0 109.979 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -159.96 -48.97 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.03 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -53.7 128.52 39.8 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.485 1.116 . . . . 0.0 110.994 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.97 -58.41 2.17 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.477 0.751 . . . . 0.0 109.977 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 66.38 134.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.02 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.01 131.71 2.37 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.478 1.111 . . . . 0.0 111.008 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -121.12 102.1 8.09 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 0.764 . . . . 0.0 109.999 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -167.93 116.16 0.75 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 90.0 p -45.11 157.55 0.08 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 110.018 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.473 HG22 ' N ' ' A' ' 12' ' ' VAL . 91.9 m -68.97 171.62 7.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 0.0 110.426 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.727 HG13 ' H ' ' A' ' 13' ' ' GLU . 0.7 OUTLIER -147.38 -79.79 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.727 ' H ' HG13 ' A' ' 12' ' ' VAL . 5.8 mt-10 -65.0 -37.26 87.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 110.288 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.771 HD11 ' CG ' ' A' ' 49' ' ' HIS . 2.5 mm? -82.59 4.82 23.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.4 t -96.85 59.45 1.71 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.972 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -132.35 153.9 20.8 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.482 1.114 . . . . 0.0 110.958 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.6 m -67.43 123.29 19.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 0.779 . . . . 0.0 110.39 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.484 HG13 ' HG3' ' A' ' 21' ' ' GLN . 2.1 t -63.17 123.78 16.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.415 HG13 ' HG2' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -112.9 -33.8 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.523 ' HG2' ' CD2' ' A' ' 115' ' ' TRP . 2.4 tptt -145.81 139.9 26.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.81 ' NE2' HG23 ' A' ' 40' ' ' VAL . 4.9 mt-30 -145.62 148.99 33.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 110.276 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 160.73 -175.15 37.45 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.533 1.146 . . . . 0.0 110.996 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.515 ' CE2' ' HB2' ' A' ' 38' ' ' ARG . 66.7 m-85 -109.69 127.57 54.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 0.755 . . . . 0.0 111.011 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.579 HD22 ' O ' ' A' ' 105' ' ' GLN . 20.2 mt -127.13 169.77 13.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.266 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.413 ' HB3' ' CB ' ' A' ' 105' ' ' GLN . . . -106.74 151.04 25.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.32 103.38 9.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.767 ' NE2' HG22 ' A' ' 83' ' ' VAL . 3.2 tt0 -64.76 120.5 12.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.297 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -163.04 -55.3 0.02 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.531 1.144 . . . . 0.0 110.979 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -47.74 164.55 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 0.777 . . . . 0.0 109.582 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -122.3 63.5 0.95 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.0 mtt85 178.63 117.74 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 110.258 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 52.95 -174.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.254 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 8.8 m-80 -48.59 174.29 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.496 1.122 . . . . 0.0 109.327 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.603 ' N ' ' CD1' ' A' ' 34' ' ' TRP . 0.0 OUTLIER -90.39 -177.39 5.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 107.977 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.0 mttt -93.54 157.36 16.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.349 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.4 t -95.64 146.61 6.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 28.9 mmt85 -146.42 158.81 43.94 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.111 . . . . 0.0 110.29 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.515 ' HB2' ' CE2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -91.66 104.56 17.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.28 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.485 ' CD1' ' HB2' ' A' ' 24' ' ' LEU . 23.1 m-85 -97.21 132.51 42.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 111.003 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.879 HG12 ' O ' ' A' ' 49' ' ' HIS . 14.5 p -116.27 139.4 43.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.707 ' HG ' HD13 ' A' ' 48' ' ' LEU . 0.4 OUTLIER -113.45 124.57 52.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 109.305 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 31.9 mtt85 -124.72 157.27 36.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 110.31 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.437 ' CB ' HD11 ' A' ' 122' ' ' LEU . 0.6 OUTLIER -134.5 148.69 50.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.147 . . . . 0.0 109.316 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.469 ' HA ' ' HA ' ' A' ' 45' ' ' PRO . 0.5 OUTLIER 42.87 83.15 0.21 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.425 1.078 . . . . 0.0 109.281 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.469 ' HA ' ' HA ' ' A' ' 44' ' ' ASP . 18.3 Cg_endo -74.96 176.53 43.0 Favored 'Cis proline' 0 C--N 1.36 1.17 0 C-N-CA 121.004 -2.498 . . . . 0.0 110.987 -0.031 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.71 ' HB2' HD12 ' A' ' 122' ' ' LEU . . . -95.37 109.48 21.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.601 ' CE2' ' CD ' ' A' ' 13' ' ' GLU . 27.3 m-85 -160.2 148.49 16.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 110.987 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.865 HD12 ' O ' ' A' ' 40' ' ' VAL . 3.0 tp -129.74 113.49 14.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.879 ' O ' HG12 ' A' ' 40' ' ' VAL . 67.4 m80 -119.22 161.2 20.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.635 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.579 ' O ' HG23 ' A' ' 61' ' ' VAL . 6.5 p90 -145.06 151.73 38.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 111.023 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.599 ' HA ' HG23 ' A' ' 61' ' ' VAL . 15.8 m-85 -123.79 143.47 50.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 111.015 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -76.89 125.63 86.74 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 -12.13 21.67 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.516 1.798 . . . . 0.0 110.98 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 73.4 m -84.89 -30.49 24.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.029 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.412 ' HG3' ' N ' ' A' ' 56' ' ' GLU . 3.4 tptt -104.68 149.39 25.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.412 ' N ' ' HG3' ' A' ' 55' ' ' LYS . 2.0 tt0 -116.47 56.33 0.79 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 110.258 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -89.55 163.44 15.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.305 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.404 ' O ' ' CB ' ' A' ' 59' ' ' ARG . 5.8 m120 -95.19 64.82 2.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.404 ' CB ' ' O ' ' A' ' 58' ' ' ASN . 0.5 OUTLIER 165.31 166.46 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.577 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 18.3 Cg_endo -75.03 167.96 25.87 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.516 1.798 . . . . 0.0 111.033 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.599 HG23 ' HA ' ' A' ' 51' ' ' TYR . 2.6 t -69.89 -30.34 43.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 139.76 73.48 0.05 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.507 1.129 . . . . 0.0 111.015 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -64.03 -179.81 6.36 Favored Glycine 0 CA--C 1.531 1.069 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.701 ' CZ ' HD23 ' A' ' 48' ' ' LEU . 1.9 p90 -134.05 163.65 29.1 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.58 0.812 . . . . 0.0 110.999 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 30.4 p -72.76 158.46 35.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.032 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.406 ' O ' ' C ' ' A' ' 67' ' ' ARG . 94.1 mt -109.33 -42.5 4.35 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.115 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -38.01 -58.24 0.96 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.286 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -98.34 55.64 1.08 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.48 1.112 . . . . 0.0 111.014 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 25.0 m -145.61 177.41 8.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 0.762 . . . . 0.0 110.006 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.683 HD23 HD12 ' A' ' 95' ' ' ILE . 15.3 tp -154.48 155.17 34.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 109.286 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.703 HG13 ' HD2' ' A' ' 120' ' ' LYS . 7.1 p -132.6 149.84 32.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 13.2 m -161.7 160.62 28.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.978 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -97.76 159.42 14.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -96.87 163.98 12.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 109.349 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -166.04 132.02 2.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.273 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 174.48 -58.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 168.65 93.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 38.15 -109.14 0.09 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.466 1.104 . . . . 0.0 111.03 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.557 HG22 ' HA ' ' A' ' 86' ' ' ASN . 2.5 t -59.58 119.93 44.43 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.557 0.798 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.463 ' HG2' HG21 ' A' ' 83' ' ' VAL . 18.3 Cg_endo -74.99 -166.63 0.36 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.461 1.769 . . . . 0.0 111.005 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.42 ' O ' ' N ' ' A' ' 83' ' ' VAL . 20.5 m -66.54 -126.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.391 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.516 ' O ' HG23 ' A' ' 83' ' ' VAL . . . -55.71 87.92 0.01 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.485 1.116 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.767 HG22 ' NE2' ' A' ' 27' ' ' GLN . 3.5 t -154.39 102.22 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.541 0.789 . . . . 0.0 109.279 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 8.9 mmtp -53.94 152.49 5.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 55.54 166.03 0.04 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.512 1.132 . . . . 0.0 110.972 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.557 ' HA ' HG22 ' A' ' 79' ' ' VAL . 6.5 p-10 -93.26 137.61 32.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.532 0.783 . . . . 0.0 109.271 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.438 ' HB ' ' CD1' ' A' ' 91' ' ' LEU . 3.4 m -86.28 179.63 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 109.301 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.456 ' HB2' HD21 ' A' ' 91' ' ' LEU . 6.7 mm-40 -63.36 -51.26 66.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 110.274 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 136.1 -14.39 4.05 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.466 1.104 . . . . 0.0 111.009 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -140.37 54.87 1.62 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 0.757 . . . . 0.0 109.311 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.515 ' N ' HD23 ' A' ' 91' ' ' LEU . 3.5 mt -81.88 -160.23 0.35 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.267 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.574 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 24.8 p90 -167.81 179.0 4.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.54 1.15 . . . . 0.0 110.993 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.748 ' NZ ' HD11 ' A' ' 95' ' ' ILE . 0.0 OUTLIER -139.8 164.99 28.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.438 1.086 . . . . 0.0 109.292 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.491 HG13 ' O ' ' A' ' 70' ' ' LEU . 71.4 t -134.1 113.61 18.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.114 . . . . 0.0 109.339 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.748 HD11 ' NZ ' ' A' ' 93' ' ' LYS . 12.4 mt -87.82 114.98 27.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.431 1.082 . . . . 0.0 109.281 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 24.8 p -85.66 -177.94 6.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.403 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.23 -13.8 59.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.271 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -93.53 8.82 39.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 50.0 t0 62.76 21.54 12.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.346 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 59.0 m -88.43 120.12 29.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.117 . . . . 0.0 110.373 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.574 ' CD2' HG12 ' A' ' 95' ' ' ILE . 14.6 m170 -87.39 105.54 17.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.57 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -92.87 100.88 13.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 111.006 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.405 ' CD1' ' HB3' ' A' ' 93' ' ' LYS . 4.0 m-85 -74.84 122.73 23.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 110.971 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.574 ' HB ' ' CZ ' ' A' ' 92' ' ' PHE . 36.6 mt -119.49 164.04 16.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.579 ' O ' HD22 ' A' ' 24' ' ' LEU . 3.5 tt0 -113.63 139.05 49.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 110.315 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.478 ' CB ' ' HB2' ' A' ' 112' ' ' ARG . . . -106.21 145.8 31.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 109.329 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.4 t -55.88 -45.23 78.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.02 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -137.33 169.56 17.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.014 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -58.09 -24.59 59.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -85.4 -51.73 6.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.4 ' HB3' ' HB1' ' A' ' 106' ' ' ALA . 0.8 OUTLIER -39.44 -41.21 0.93 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.325 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.649 ' NE ' HD12 ' A' ' 116' ' ' ILE . 8.7 ttp180 -61.82 -66.8 0.48 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.453 1.095 . . . . 0.0 110.279 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -43.3 -34.25 1.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.289 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -72.41 -50.83 23.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 110.293 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' TRP . . . . . 0.71 ' O ' HD12 ' A' ' 119' ' ' ILE . 63.4 m95 -62.41 -25.05 67.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 108.051 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.649 HD12 ' NE ' ' A' ' 112' ' ' ARG . 43.7 mt -79.06 -76.96 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 116' ' ' ILE . 1.8 tt0 -36.11 -39.81 0.19 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 110.331 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.434 ' HB1' HD13 ' A' ' 41' ' ' LEU . . . -56.67 -69.71 0.14 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.71 HD12 ' O ' ' A' ' 115' ' ' TRP . 13.3 mt -40.49 -59.5 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.703 ' HD2' HG13 ' A' ' 71' ' ' VAL . 0.0 OUTLIER -38.71 -54.51 1.57 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 120' ' ' LYS . 14.5 mttt -38.92 -60.34 0.86 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.339 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.71 HD12 ' HB2' ' A' ' 46' ' ' ALA . 3.7 mm? -54.09 -55.25 29.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . 0.519 HG23 ' O ' ' A' ' 119' ' ' ILE . 7.1 p -64.82 166.08 9.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.432 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 97.0 p -73.66 104.2 4.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.009 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -147.16 -158.68 7.95 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.49 1.119 . . . . 0.0 111.007 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 148.16 34.89 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.533 1.807 . . . . 0.0 110.984 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 2.1 m -142.62 136.5 29.21 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.533 1.146 . . . . 0.0 110.011 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 57.69 106.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.965 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.513 1.133 . . . . 0.0 110.988 179.996 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.95 91.32 3.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 0.776 . . . . 0.0 110.018 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -139.97 -59.55 0.55 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 110.023 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -99.89 -137.24 9.71 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.433 1.083 . . . . 0.0 111.03 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.8 m 59.84 168.01 0.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 0.747 . . . . 0.0 109.992 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.2 p 51.6 98.32 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.521 1.138 . . . . 0.0 109.976 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 105.66 78.52 1.2 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.547 1.155 . . . . 0.0 110.987 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -149.23 -47.35 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 0.777 . . . . 0.0 110.003 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.5 mp 61.85 106.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -167.01 173.04 9.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.009 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.671 HG21 HD12 ' A' ' 14' ' ' LEU . 50.2 m 60.67 164.27 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.385 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.517 HG13 ' N ' ' A' ' 13' ' ' GLU . 6.0 p -136.06 -52.25 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.517 ' N ' HG13 ' A' ' 12' ' ' VAL . 3.3 mp0 -59.46 -49.52 77.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.288 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.671 HD12 HG21 ' A' ' 11' ' ' THR . 0.3 OUTLIER -82.64 2.13 34.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.285 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -93.17 25.11 3.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.435 1.084 . . . . 0.0 109.999 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -98.97 159.42 20.14 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.513 1.133 . . . . 0.0 111.0 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.8 m -75.98 126.93 31.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 0.759 . . . . 0.0 110.424 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.2 t -62.58 122.74 14.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 0.0 109.309 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.719 HG13 ' HE2' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -111.82 -31.5 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.336 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.513 ' HG2' ' CE3' ' A' ' 115' ' ' TRP . 2.7 tptt -152.55 143.59 23.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.609 ' NE2' ' H ' ' A' ' 21' ' ' GLN . 0.0 OUTLIER -156.41 167.22 31.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 110.29 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 150.61 -153.61 25.12 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.541 1.151 . . . . 0.0 111.002 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -124.43 114.77 19.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 0.777 . . . . 0.0 111.026 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.725 HD21 ' NE1' ' A' ' 115' ' ' TRP . 47.6 mt -107.45 168.17 9.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.756 ' HB3' ' HB3' ' A' ' 105' ' ' GLN . . . -114.84 115.27 26.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 109.344 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.465 ' HD3' ' CG1' ' A' ' 104' ' ' ILE . 0.0 OUTLIER -85.97 153.17 22.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.327 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.449 ' HG3' ' CE2' ' A' ' 34' ' ' TRP . 2.9 tt0 -113.82 86.81 2.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.291 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 150.64 70.86 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.541 1.15 . . . . 0.0 110.967 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -178.18 130.36 0.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 0.755 . . . . 0.0 109.571 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.7 tttt 68.27 132.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.33 87.6 5.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 110.335 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 16.8 tptt -170.47 -76.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -156.34 -154.83 0.5 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.793 ' CZ2' HG13 ' A' ' 87' ' ' VAL . 13.4 m95 -66.44 170.33 6.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 108.01 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -138.74 124.57 19.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.268 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.6 t -74.35 117.29 18.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 109.277 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.5 ttp180 -122.86 157.54 32.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 110.313 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.2 ttp85 -91.69 113.11 25.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 110.267 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.452 ' CD1' ' HB2' ' A' ' 24' ' ' LEU . 24.9 m-85 -107.44 148.55 29.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 111.037 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.867 ' O ' HD12 ' A' ' 48' ' ' LEU . 9.5 p -132.59 136.18 56.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.331 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.649 ' HG ' HD13 ' A' ' 48' ' ' LEU . 0.4 OUTLIER -110.72 124.33 51.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.352 179.942 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.495 ' CD ' ' HA ' ' A' ' 14' ' ' LEU . 54.3 mtt-85 -117.3 163.11 16.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.273 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.719 ' HE2' HG13 ' A' ' 19' ' ' VAL . 1.1 pttt -140.98 140.24 34.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.479 ' N ' ' C ' ' A' ' 45' ' ' PRO . 10.5 t0 49.64 77.64 0.45 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.296 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.479 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.3 Cg_endo -75.04 171.39 68.35 Favored 'Cis proline' 0 C--N 1.361 1.192 0 C-N-CA 120.988 -2.505 . . . . 0.0 110.998 0.036 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.746 ' HB2' HD12 ' A' ' 122' ' ' LEU . . . -97.36 99.25 10.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -141.94 160.57 39.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 110.996 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.867 HD12 ' O ' ' A' ' 40' ' ' VAL . 21.1 tp -133.49 113.9 13.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.266 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.569 ' CD2' ' HA3' ' A' ' 63' ' ' GLY . 54.7 m80 -119.11 165.53 14.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.604 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.592 ' CE2' ' HB ' ' A' ' 61' ' ' VAL . 2.6 p90 -152.88 164.14 38.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 111.007 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.602 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 3.0 m-85 -139.56 139.11 36.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 110.976 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -74.65 125.34 89.72 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -39.7 1.12 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.521 1.8 . . . . 0.0 111.013 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 45.7 m -46.63 -45.13 18.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 110.016 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 26.5 mmtt -79.12 179.23 7.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.158 . . . . 0.0 109.271 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -130.22 75.08 1.63 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 110.285 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -138.07 172.62 12.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 110.283 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.52 ' O ' ' CE2' ' A' ' 51' ' ' TYR . 22.3 m-20 -103.4 -45.0 4.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 8.9 mtp180 -57.73 149.52 52.27 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.157 . . . . 0.0 110.278 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.602 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 18.4 Cg_endo -74.95 163.98 34.32 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.437 1.756 . . . . 0.0 111.044 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.592 ' HB ' ' CE2' ' A' ' 50' ' ' TYR . 2.4 t -69.28 -32.13 52.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.573 1.171 . . . . 0.0 109.293 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 147.65 74.44 0.02 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.513 1.133 . . . . 0.0 110.97 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.569 ' HA3' ' CD2' ' A' ' 49' ' ' HIS . . . -59.93 167.03 9.42 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.656 ' CE2' HD23 ' A' ' 48' ' ' LEU . 1.3 p90 -133.75 159.5 40.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 0.763 . . . . 0.0 110.962 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 77.0 p -70.81 159.56 34.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.987 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.615 HD21 ' HB3' ' A' ' 48' ' ' LEU . 49.7 mt -114.2 -34.66 5.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.44 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -35.68 -65.83 0.23 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 110.311 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -95.15 51.54 1.89 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.485 1.115 . . . . 0.0 111.0 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.412 ' HA ' ' HA ' ' A' ' 96' ' ' THR . 73.2 m -130.82 -179.99 5.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 0.748 . . . . 0.0 109.995 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 1.035 HD13 ' N ' ' A' ' 71' ' ' VAL . 3.1 tm? -155.97 154.13 30.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 1.035 ' N ' HD13 ' A' ' 70' ' ' LEU . 6.6 p -139.25 140.36 37.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.097 . . . . 0.0 109.344 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.415 ' O ' ' HB2' ' A' ' 92' ' ' PHE . 6.9 p -141.13 170.11 16.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.977 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -113.07 135.63 53.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.267 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.988 HD12 ' HB2' ' A' ' 91' ' ' LEU . 1.2 mt -78.92 103.61 8.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -122.48 108.11 12.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 110.297 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.436 ' O ' ' N ' ' A' ' 78' ' ' GLY . 0.1 OUTLIER -179.57 162.3 1.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.328 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.44 ' O ' ' N ' ' A' ' 79' ' ' VAL . 75.6 m-20 -48.7 94.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.338 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 76' ' ' ASP . . . 45.03 -94.15 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.523 1.139 . . . . 0.0 110.979 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.44 ' N ' ' O ' ' A' ' 77' ' ' ASN . 83.0 t -41.64 127.08 2.42 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.491 0.76 . . . . 0.0 109.267 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -77.65 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.476 1.777 . . . . 0.0 111.022 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.3 m -149.05 -72.43 0.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.431 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -122.66 69.62 0.44 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.486 1.116 . . . . 0.0 111.037 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.507 HG11 ' CG2' ' A' ' 87' ' ' VAL . 50.7 t -140.91 155.26 21.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.479 0.752 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.403 ' O ' ' O ' ' A' ' 83' ' ' VAL . 0.2 OUTLIER -43.72 -91.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -89.72 -132.19 4.66 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.494 1.121 . . . . 0.0 110.996 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -112.62 21.06 16.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 0.756 . . . . 0.0 109.304 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.793 HG13 ' CZ2' ' A' ' 34' ' ' TRP . 61.3 t 58.14 -104.83 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.344 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.652 ' H ' HD11 ' A' ' 91' ' ' LEU . 18.7 mm-40 -133.87 -110.43 0.22 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 110.288 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -137.69 134.15 6.8 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.521 1.138 . . . . 0.0 111.004 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 42.8 m-20 60.77 -87.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 0.776 . . . . 0.0 109.334 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.988 ' HB2' HD12 ' A' ' 74' ' ' LEU . 1.0 OUTLIER 65.35 -178.18 0.18 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.565 ' HB3' HD11 ' A' ' 116' ' ' ILE . 15.0 p90 -161.29 154.07 20.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 111.039 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.491 ' HE2' ' CG1' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -119.08 163.62 16.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 60.8 t -124.43 101.01 8.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.585 HG12 ' CD2' ' A' ' 101' ' ' HIS . 78.7 mt -85.85 99.93 8.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.412 ' HA ' ' HA ' ' A' ' 69' ' ' SER . 2.1 p -76.16 -175.87 3.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.397 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.41 -28.77 67.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 99' ' ' ASP . 1.1 m-20 -87.84 11.66 15.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.563 ' HA ' HG23 ' A' ' 95' ' ' ILE . 42.7 m-20 40.15 44.37 1.52 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.105 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 3.4 m -70.8 -46.06 63.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 110.413 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.585 ' CD2' HG12 ' A' ' 95' ' ' ILE . 4.7 m170 78.34 89.14 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.601 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -99.54 106.85 18.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 110.979 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -73.86 128.83 36.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.985 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.481 ' CG2' ' N ' ' A' ' 105' ' ' GLN . 24.4 mt -137.38 163.91 30.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.756 ' HB3' ' HB3' ' A' ' 25' ' ' ALA . 28.7 tt0 -121.75 148.46 44.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.14 . . . . 0.0 110.259 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.574 ' HB1' ' HB3' ' A' ' 111' ' ' GLU . . . -100.69 149.26 23.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.54 -48.3 74.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.989 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 109' ' ' LYS . 0.2 OUTLIER -135.98 155.3 50.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.012 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 108' ' ' SER . 22.8 mtmt -40.42 -42.02 1.51 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.8 -57.38 8.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.574 ' HB3' ' HB1' ' A' ' 106' ' ' ALA . 0.2 OUTLIER -39.13 -39.78 0.63 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.105 . . . . 0.0 110.288 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.56 ' HE ' HD12 ' A' ' 116' ' ' ILE . 8.1 ttp-105 -57.88 -70.52 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.273 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.465 ' O ' ' N ' ' A' ' 117' ' ' GLU . . . -41.6 -50.82 4.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.496 ' O ' ' CB ' ' A' ' 118' ' ' ALA . 37.3 mm-40 -56.81 -58.34 8.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.331 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' TRP . . . . . 0.725 ' NE1' HD21 ' A' ' 24' ' ' LEU . 33.3 m95 -51.89 -40.65 61.01 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.565 HD11 ' HB3' ' A' ' 92' ' ' PHE . 49.6 mt -68.76 -78.37 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.569 1.168 . . . . 0.0 109.335 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' A' ' 113' ' ' ALA . 2.2 tt0 -38.17 -43.14 0.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.313 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.496 ' CB ' ' O ' ' A' ' 114' ' ' GLU . . . -55.04 -69.96 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 95.9 mt -44.96 -48.78 2.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.294 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.5 ' HG2' HG13 ' A' ' 71' ' ' VAL . 33.9 mttt -46.77 -49.31 19.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 16.9 mttt -45.69 -60.38 2.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.746 HD12 ' HB2' ' A' ' 46' ' ' ALA . 1.7 mm? -51.07 -55.08 19.39 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.12 . . . . 0.0 109.331 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . 0.474 HG22 ' O ' ' A' ' 66' ' ' LEU . 46.3 p -67.84 171.56 6.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.419 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.83 -66.59 0.54 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.489 1.118 . . . . 0.0 109.99 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 78.77 172.51 41.67 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.506 1.129 . . . . 0.0 110.999 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -43.61 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.481 1.78 . . . . 0.0 111.043 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 52.89 96.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.025 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 36.9 p -110.49 117.36 33.36 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.553 1.158 . . . . 0.0 109.996 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 O-C-N 124.455 1.097 . . . . 0.0 111.015 179.955 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.4 p -81.82 163.14 22.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 0.776 . . . . 0.0 109.991 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 68.58 136.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 110.002 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.69 142.54 13.39 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.489 1.118 . . . . 0.0 110.99 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -155.19 -64.59 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 0.779 . . . . 0.0 109.954 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 69.31 159.56 0.18 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.021 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.73 -137.59 5.51 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.488 1.118 . . . . 0.0 110.991 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 75.83 31.1 0.72 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 0.756 . . . . 0.0 110.029 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.8 mt -88.22 149.77 23.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.74 -45.77 67.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 110.013 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.0 m -146.64 161.23 40.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 110.379 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.648 HG13 ' H ' ' A' ' 13' ' ' GLU . 0.4 OUTLIER -147.24 -83.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.449 1.093 . . . . 0.0 109.353 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.648 ' H ' HG13 ' A' ' 12' ' ' VAL . 2.6 mt-10 -51.64 -41.18 61.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.3 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.447 HD21 ' CD2' ' A' ' 49' ' ' HIS . 0.8 OUTLIER -89.1 14.97 9.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.344 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.7 t -103.43 51.2 0.79 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.033 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -122.96 159.72 17.55 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.489 1.118 . . . . 0.0 111.068 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.1 m -75.06 117.1 16.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 0.762 . . . . 0.0 110.411 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.469 HG13 ' HG3' ' A' ' 21' ' ' GLN . 2.6 t -48.73 124.18 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.42 HG13 ' HE2' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -111.16 -28.38 2.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.525 ' HG2' ' CD2' ' A' ' 115' ' ' TRP . 3.3 tttt -159.69 141.01 12.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.883 ' NE2' HG23 ' A' ' 40' ' ' VAL . 8.0 mt-30 -145.35 149.59 35.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.339 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 160.63 -171.99 36.89 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.5 1.125 . . . . 0.0 110.983 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.537 ' CE2' ' HB2' ' A' ' 38' ' ' ARG . 54.1 m-85 -115.04 121.48 43.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 0.782 . . . . 0.0 111.017 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.543 HD21 ' CD1' ' A' ' 115' ' ' TRP . 14.6 mt -113.52 172.73 6.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.531 ' O ' ' CZ3' ' A' ' 34' ' ' TRP . . . -123.96 102.42 7.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -98.31 130.11 45.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.511 ' HB2' ' CE2' ' A' ' 34' ' ' TRP . 24.3 tt0 -84.56 123.15 29.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 110.304 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 172.94 -176.21 45.77 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.494 1.121 . . . . 0.0 111.024 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 60.21 -171.15 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 0.742 . . . . 0.0 109.561 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -106.45 174.02 6.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 21.8 mtt-85 61.06 126.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 110.322 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 15.0 mmtt 62.78 144.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.279 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 21.8 m-80 -72.23 -85.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.312 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.567 ' CZ2' HG21 ' A' ' 87' ' ' VAL . 14.0 m95 -94.44 133.87 37.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 108.017 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.05 137.26 54.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.4 t -79.62 136.68 23.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 21.9 mmt85 -140.86 156.36 46.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 110.292 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.537 ' HB2' ' CE2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -89.48 103.67 16.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.327 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.533 ' CD1' ' HB2' ' A' ' 24' ' ' LEU . 26.3 m-85 -97.33 131.6 43.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 111.029 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.955 ' O ' HD12 ' A' ' 48' ' ' LEU . 10.7 p -117.71 138.92 46.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.774 ' HG ' HD13 ' A' ' 48' ' ' LEU . 0.6 OUTLIER -117.36 134.02 55.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.403 ' C ' ' CG2' ' A' ' 19' ' ' VAL . 24.5 mtt85 -134.06 167.96 19.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.302 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 45' ' ' PRO . 0.8 OUTLIER -139.06 148.1 42.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 -179.939 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 45' ' ' PRO . 0.8 OUTLIER 41.53 82.48 0.22 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.445 ' O ' ' N ' ' A' ' 44' ' ' ASP . 18.3 Cg_endo -75.03 174.64 51.67 Favored 'Cis proline' 0 C--N 1.36 1.14 0 C-N-CA 121.015 -2.494 . . . . 0.0 111.003 0.025 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.962 ' HB1' ' HB3' ' A' ' 122' ' ' LEU . . . -99.72 103.53 15.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.328 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.53 ' CE2' ' CD ' ' A' ' 13' ' ' GLU . 7.9 m-85 -154.11 147.82 25.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 110.949 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.955 HD12 ' O ' ' A' ' 40' ' ' VAL . 8.2 tp -123.4 113.66 19.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.704 ' O ' HG12 ' A' ' 40' ' ' VAL . 69.4 m80 -114.5 163.9 14.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.608 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.568 ' CE2' ' HB ' ' A' ' 61' ' ' VAL . 8.1 p90 -148.36 152.39 36.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 111.007 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.67 ' HA ' HG23 ' A' ' 61' ' ' VAL . 9.6 m-85 -125.18 144.35 50.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 111.005 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -81.91 122.95 80.41 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -4.39 15.33 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.506 1.793 . . . . 0.0 110.983 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -88.53 -39.4 14.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.986 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.41 173.95 7.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -142.84 96.07 2.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.311 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -145.85 159.72 42.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 110.304 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 65.4 m-20 -87.17 55.95 3.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.431 1.082 . . . . 0.0 109.305 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -175.56 155.66 1.7 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 110.266 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.559 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 18.5 Cg_endo -74.95 171.49 18.21 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.464 1.77 . . . . 0.0 111.072 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.67 HG23 ' HA ' ' A' ' 51' ' ' TYR . 2.6 t -69.8 -29.24 40.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 130.93 75.47 0.13 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.488 1.118 . . . . 0.0 111.024 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -61.3 -175.98 1.81 Allowed Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -133.7 165.11 25.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 0.77 . . . . 0.0 110.979 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.4 p -71.87 145.76 48.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.987 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.546 HD21 ' HB3' ' A' ' 48' ' ' LEU . 90.7 mt -101.21 -40.18 7.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -34.68 -59.33 0.47 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.317 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -101.7 47.51 1.17 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.505 1.128 . . . . 0.0 111.039 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 36.9 p -118.68 -179.0 3.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 0.752 . . . . 0.0 109.98 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 95' ' ' ILE . 64.5 tp -156.43 146.99 21.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.679 HG13 ' HD2' ' A' ' 120' ' ' LYS . 2.5 p -137.39 145.58 29.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.3 m -157.63 162.51 38.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 109.998 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -99.96 148.64 24.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.273 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.892 HD12 ' HB2' ' A' ' 91' ' ' LEU . 1.9 mt -87.93 103.27 15.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -101.47 94.05 5.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 110.286 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.454 ' OD2' ' HA ' ' A' ' 80' ' ' PRO . 31.5 p-10 178.57 94.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -67.19 101.22 0.87 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 133.37 70.64 0.08 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.47 1.106 . . . . 0.0 110.988 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.652 HG22 ' HB2' ' A' ' 86' ' ' ASN . 63.6 t 62.08 121.82 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.497 0.763 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.698 ' HG2' HG21 ' A' ' 83' ' ' VAL . 18.2 Cg_endo -75.04 69.39 5.59 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.528 1.804 . . . . 0.0 110.991 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.419 ' O ' ' N ' ' A' ' 83' ' ' VAL . 15.5 m 63.3 94.53 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.424 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.456 ' O ' ' CG1' ' A' ' 79' ' ' VAL . . . 53.69 -89.96 0.01 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.506 1.129 . . . . 0.0 111.002 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.698 HG21 ' HG2' ' A' ' 80' ' ' PRO . 4.0 t 65.79 7.6 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.523 0.778 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.2 mmtm 48.69 68.61 0.67 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 135.04 -104.86 0.52 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.485 1.116 . . . . 0.0 111.007 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.652 ' HB2' HG22 ' A' ' 79' ' ' VAL . 8.4 t30 170.43 156.59 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 0.751 . . . . 0.0 109.274 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.582 HG23 HG11 ' A' ' 83' ' ' VAL . 31.8 t -132.45 171.16 18.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.564 1.165 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.55 ' N ' HG12 ' A' ' 87' ' ' VAL . 43.4 mm-40 -66.74 -149.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.283 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -121.99 159.19 16.63 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.484 1.115 . . . . 0.0 110.989 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 7.0 m120 65.31 61.88 0.71 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 0.774 . . . . 0.0 109.289 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.892 ' HB2' HD12 ' A' ' 74' ' ' LEU . 1.0 OUTLIER -116.49 -177.1 3.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.344 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.567 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 10.0 p90 -161.11 159.39 29.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 111.006 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.443 ' HE2' ' CG1' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -122.38 167.02 13.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 78.2 t -127.05 100.64 6.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.446 1.091 . . . . 0.0 109.31 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.869 HG23 ' CD2' ' A' ' 101' ' ' HIS . 52.3 mt -86.51 110.74 20.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 43.4 p -86.99 179.0 6.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 110.386 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 1.9 tttp -60.75 -19.99 60.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.333 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 99' ' ' ASP . 53.4 m-20 -89.3 12.9 14.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.253 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.404 ' O ' ' OD2' ' A' ' 99' ' ' ASP . 4.2 p-10 40.03 43.36 1.28 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.332 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.561 HG21 ' CE1' ' A' ' 102' ' ' TYR . 18.9 m -78.27 -51.49 10.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.378 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.869 ' CD2' HG23 ' A' ' 95' ' ' ILE . 4.9 m170 79.04 94.42 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 109.62 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.561 ' CE1' HG21 ' A' ' 100' ' ' THR . 44.7 m-85 -103.45 112.72 25.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 111.011 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 3.5 m-30 -76.31 125.17 28.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.421 1.075 . . . . 0.0 111.018 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.567 ' HB ' ' CZ ' ' A' ' 92' ' ' PHE . 9.2 mt -131.35 149.17 32.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.482 ' HB2' ' CD2' ' A' ' 91' ' ' LEU . 7.4 tt0 -113.36 141.87 46.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.278 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.536 ' HA ' HD22 ' A' ' 24' ' ' LEU . . . -91.84 163.32 14.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.243 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 6.4 t -82.0 -47.08 13.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 110.01 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -124.05 151.27 43.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.097 . . . . 0.0 109.99 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -41.21 -54.93 2.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -58.67 -50.33 74.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.345 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.574 ' HG3' ' CD1' ' A' ' 115' ' ' TRP . 0.6 OUTLIER -41.78 -40.61 2.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.289 179.942 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.497 ' HD2' ' CD1' ' A' ' 116' ' ' ILE . 6.1 tmm_? -61.73 -69.03 0.27 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.283 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -46.24 -46.25 17.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.33 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -61.53 -61.04 2.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 110.323 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' TRP . . . . . 0.574 ' CD1' ' HG3' ' A' ' 111' ' ' GLU . 34.2 m95 -45.63 -32.7 2.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 108.019 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.497 ' CD1' ' HD2' ' A' ' 112' ' ' ARG . 25.9 mt -73.01 -77.73 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 116' ' ' ILE . 0.3 OUTLIER -35.09 -48.79 0.44 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 110.245 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.702 ' HB1' HD13 ' A' ' 41' ' ' LEU . . . -47.83 -62.96 1.2 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.535 HD12 ' O ' ' A' ' 115' ' ' TRP . 20.3 mt -45.77 -54.66 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.679 ' HD2' HG13 ' A' ' 71' ' ' VAL . 0.0 OUTLIER -51.72 -53.32 40.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.14 . . . . 0.0 109.329 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.403 ' HG3' ' O ' ' A' ' 117' ' ' GLU . 19.8 mttt -39.97 -57.38 1.63 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.261 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.962 ' HB3' ' HB1' ' A' ' 46' ' ' ALA . 0.6 OUTLIER -52.5 -56.21 16.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.267 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . 0.51 HG22 ' O ' ' A' ' 66' ' ' LEU . 50.6 p -63.37 84.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 110.389 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 123' ' ' THR . 0.4 OUTLIER -38.63 132.46 1.17 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.027 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -133.41 -78.96 0.13 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.494 1.122 . . . . 0.0 111.047 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -53.84 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.479 1.779 . . . . 0.0 110.944 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.3 -60.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.019 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -152.55 160.14 43.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 110.04 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.475 1.109 . . . . 0.0 111.038 179.997 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.7 m -140.48 -58.91 0.53 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 0.734 . . . . 0.0 109.979 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.2 m -92.78 106.94 18.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.967 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.36 120.6 2.65 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.531 1.144 . . . . 0.0 111.04 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.2 p -158.05 161.53 38.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 0.747 . . . . 0.0 109.969 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.8 m -154.42 161.01 41.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.098 . . . . 0.0 110.033 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.37 138.93 10.17 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.467 1.105 . . . . 0.0 111.004 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 39.2 t -119.03 -54.91 2.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 0.769 . . . . 0.0 110.006 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -173.79 82.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -167.44 119.1 0.89 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.102 . . . . 0.0 109.991 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 70.8 m -108.79 164.02 12.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.399 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.795 HG13 ' H ' ' A' ' 13' ' ' GLU . 1.5 p -146.65 -71.41 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 109.274 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.795 ' H ' HG13 ' A' ' 12' ' ' VAL . 39.3 mt-10 -62.28 -42.97 99.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.32 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.674 HD21 ' CD2' ' A' ' 49' ' ' HIS . 2.0 mt -87.19 11.4 14.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.348 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.22 60.05 0.62 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 0.0 109.958 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -138.93 172.55 23.07 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.484 1.115 . . . . 0.0 111.017 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.463 ' HB ' ' HD3' ' A' ' 43' ' ' LYS . 13.8 m -76.38 143.2 40.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 0.761 . . . . 0.0 110.4 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.65 HG21 ' NE2' ' A' ' 21' ' ' GLN . 2.1 t -76.37 128.41 37.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.725 HG13 ' HD2' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -111.57 -41.37 4.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.558 ' HG2' ' CD2' ' A' ' 115' ' ' TRP . 4.6 tptt -148.17 140.15 24.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.65 ' NE2' HG21 ' A' ' 18' ' ' VAL . 81.8 mt-30 -142.86 147.8 35.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.301 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 165.32 -169.77 39.97 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.546 1.153 . . . . 0.0 111.042 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.544 ' CE1' ' HB2' ' A' ' 38' ' ' ARG . 85.6 m-85 -115.25 125.91 53.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 0.786 . . . . 0.0 111.001 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.585 HD12 ' CG ' ' A' ' 39' ' ' PHE . 20.4 mt -121.03 169.73 10.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 109.281 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -116.7 124.96 50.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.332 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.6 mmmt -98.44 135.59 39.79 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.548 1.155 . . . . 0.0 109.28 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.82 ' NE2' HG22 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -98.42 138.2 36.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.3 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -170.73 -162.34 22.9 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.487 1.117 . . . . 0.0 110.974 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -127.95 101.05 6.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 0.775 . . . . 0.0 109.645 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -168.09 -68.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.343 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -143.99 122.14 12.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.154 . . . . 0.0 110.275 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 67.29 151.22 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.335 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 72.3 m-80 -63.58 -62.35 1.72 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.771 ' CZ2' HG11 ' A' ' 87' ' ' VAL . 31.8 m95 -119.14 122.78 42.83 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.1 mtpm? -107.66 129.82 54.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.5 t -73.47 144.55 12.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.713 ' HD3' HG21 ' A' ' 61' ' ' VAL . 0.1 OUTLIER -151.06 164.88 35.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 110.272 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.544 ' HB2' ' CE1' ' A' ' 23' ' ' TYR . 1.4 ttp180 -98.72 105.15 17.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.103 . . . . 0.0 110.276 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.585 ' CG ' HD12 ' A' ' 24' ' ' LEU . 7.4 m-85 -96.64 136.26 37.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 110.993 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.906 ' O ' HD12 ' A' ' 48' ' ' LEU . 8.8 p -122.65 140.51 46.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.746 ' HG ' HD13 ' A' ' 48' ' ' LEU . 0.5 OUTLIER -116.9 118.32 32.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.431 1.082 . . . . 0.0 109.301 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.454 ' NH1' ' O ' ' A' ' 14' ' ' LEU . 1.7 mtp180 -122.15 148.76 44.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.346 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.725 ' HD2' HG13 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -122.89 154.58 38.12 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.467 ' N ' ' C ' ' A' ' 45' ' ' PRO . 1.8 t70 44.09 78.58 0.38 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.467 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.3 Cg_endo -75.0 169.75 73.72 Favored 'Cis proline' 0 C--N 1.36 1.161 0 C-N-CA 120.981 -2.508 . . . . 0.0 110.997 -0.014 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.707 ' CB ' HD12 ' A' ' 122' ' ' LEU . . . -92.77 102.74 15.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.44 1.087 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.427 ' CD1' ' HB2' ' A' ' 45' ' ' PRO . 42.4 m-85 -150.16 166.09 30.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 111.031 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.906 HD12 ' O ' ' A' ' 40' ' ' VAL . 5.3 tp -141.87 113.31 7.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.674 ' CD2' HD21 ' A' ' 14' ' ' LEU . 60.0 m80 -117.47 166.76 11.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.603 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.544 ' CE1' ' N ' ' A' ' 63' ' ' GLY . 17.7 p90 -147.85 150.66 34.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 0.0 111.015 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.785 ' HA ' HG23 ' A' ' 61' ' ' VAL . 13.6 m-85 -127.48 153.61 46.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 111.033 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.523 ' N ' ' CG2' ' A' ' 61' ' ' VAL . 15.3 t0 -83.2 124.5 76.16 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.255 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -11.23 21.46 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.515 1.797 . . . . 0.0 111.017 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.2 m -86.28 -33.23 20.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.162 . . . . 0.0 110.011 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.455 ' CD ' ' OD2' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -88.26 173.66 8.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 179.95 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -147.28 84.91 1.58 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.324 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -153.99 150.48 28.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.324 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.6 m-20 -75.16 73.23 2.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.472 ' CD ' ' HD2' ' A' ' 60' ' ' PRO . 16.6 tpp180 -179.24 135.85 0.3 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.102 . . . . 0.0 110.332 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.588 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 18.3 Cg_endo -74.96 165.38 31.47 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.523 1.802 . . . . 0.0 110.952 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.785 HG23 ' HA ' ' A' ' 51' ' ' TYR . 1.6 t -77.33 -18.74 14.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.277 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 179.68 -128.91 1.28 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.493 1.121 . . . . 0.0 111.015 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.544 ' N ' ' CE1' ' A' ' 50' ' ' TYR . . . 122.67 130.05 3.63 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.801 ' CZ ' HD23 ' A' ' 48' ' ' LEU . 2.6 p90 -117.54 154.19 31.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 0.746 . . . . 0.0 111.01 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.0 t -77.86 135.21 37.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.98 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.46 ' O ' ' N ' ' A' ' 69' ' ' SER . 69.1 mt -80.63 -42.2 22.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 5.0 mmt180 -45.24 97.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.311 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 99.56 29.98 6.75 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.455 1.097 . . . . 0.0 111.012 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.46 ' N ' ' O ' ' A' ' 66' ' ' LEU . 36.9 m -117.3 -176.84 3.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 0.755 . . . . 0.0 110.04 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.843 ' O ' HG13 ' A' ' 94' ' ' VAL . 1.1 tm? -151.85 161.64 42.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.269 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.746 ' N ' HD13 ' A' ' 70' ' ' LEU . 7.7 p -149.88 144.44 17.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.7 m -160.2 161.14 33.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 109.956 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -94.23 142.92 26.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.675 HD12 ' HB2' ' A' ' 91' ' ' LEU . 1.0 OUTLIER -80.3 102.27 9.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -105.76 52.36 0.73 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.312 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.446 ' O ' ' N ' ' A' ' 78' ' ' GLY . 1.8 m-20 -126.59 101.89 6.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -59.29 85.93 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 76' ' ' ASP . . . 156.17 146.02 4.35 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.5 1.125 . . . . 0.0 110.989 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.671 HG11 ' HB3' ' A' ' 86' ' ' ASN . 33.2 m -60.61 144.18 89.43 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.564 0.802 . . . . 0.0 109.28 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.78 ' HG2' HG21 ' A' ' 83' ' ' VAL . 18.3 Cg_endo -75.02 175.25 11.49 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.499 1.789 . . . . 0.0 110.96 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.546 ' O ' HG23 ' A' ' 83' ' ' VAL . 4.3 m -45.67 130.85 9.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 110.408 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.422 ' O ' ' C ' ' A' ' 83' ' ' VAL . . . 49.05 -90.42 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.465 1.103 . . . . 0.0 111.014 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.82 HG22 ' NE2' ' A' ' 27' ' ' GLN . 41.1 t 38.2 85.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.517 0.775 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt -47.53 -48.48 27.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -53.3 -19.22 7.96 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.451 1.094 . . . . 0.0 110.999 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.671 ' HB3' HG11 ' A' ' 79' ' ' VAL . 36.2 m120 40.34 53.55 2.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 0.758 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.808 HG22 HD11 ' A' ' 91' ' ' LEU . 6.3 p -95.2 149.1 4.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.878 ' O ' HD12 ' A' ' 91' ' ' LEU . 0.0 OUTLIER -143.1 -72.79 0.29 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 110.34 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 37.57 -95.36 0.01 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.451 1.094 . . . . 0.0 110.986 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.511 ' O ' ' CD ' ' A' ' 112' ' ' ARG . 14.8 t30 -163.92 29.53 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 0.79 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.878 HD12 ' O ' ' A' ' 88' ' ' GLN . 0.7 OUTLIER -52.81 -174.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.439 ' HB3' HD11 ' A' ' 116' ' ' ILE . 33.6 p90 -142.12 164.48 30.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.977 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.06 167.59 18.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.843 HG13 ' O ' ' A' ' 70' ' ' LEU . 81.5 t -135.48 120.84 29.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.576 HG23 ' HD2' ' A' ' 101' ' ' HIS . 9.0 mt -99.98 119.56 48.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 38.1 p -77.08 -177.62 4.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.45 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.64 -42.68 99.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.345 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.676 ' O ' ' CB ' ' A' ' 99' ' ' ASP . 0.2 OUTLIER -58.51 -51.58 69.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 109.29 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.676 ' CB ' ' O ' ' A' ' 98' ' ' ASP . 0.5 OUTLIER 140.42 -15.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 179.961 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.496 ' O ' ' HA ' ' A' ' 95' ' ' ILE . 52.8 m -42.32 148.37 0.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 110.419 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.576 ' HD2' HG23 ' A' ' 95' ' ' ILE . 47.3 m170 -116.55 113.05 22.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.544 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -102.31 111.54 23.87 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.545 1.153 . . . . 0.0 111.007 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -89.86 123.52 33.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 111.003 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.48 HG22 ' N ' ' A' ' 105' ' ' GLN . 81.5 mt -129.9 165.18 30.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.48 ' N ' HG22 ' A' ' 104' ' ' ILE . 10.8 tt0 -127.66 135.89 50.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.267 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.719 ' HB1' ' HB3' ' A' ' 111' ' ' GLU . . . -93.03 -179.73 5.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 0.0 109.269 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 41.2 t -89.19 -30.13 18.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.965 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.6 m -152.61 158.6 42.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.979 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.03 -46.29 21.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.1 . . . . 0.0 109.29 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.89 -44.16 93.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.719 ' HB3' ' HB1' ' A' ' 106' ' ' ALA . 0.2 OUTLIER -47.38 -39.53 15.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.155 . . . . 0.0 110.335 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.511 ' CD ' ' O ' ' A' ' 90' ' ' ASN . 3.5 mtt-85 -57.67 -76.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.435 1.084 . . . . 0.0 110.26 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.466 ' C ' ' O ' ' A' ' 112' ' ' ARG . . . -35.36 -49.15 0.51 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.274 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.415 ' HB3' ' NZ ' ' A' ' 20' ' ' LYS . 1.3 mm-40 -55.91 -52.81 62.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 110.3 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' TRP . . . . . 0.558 ' CD2' ' HG2' ' A' ' 20' ' ' LYS . 60.1 m95 -65.87 -41.65 91.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 108.04 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.439 HD11 ' HB3' ' A' ' 92' ' ' PHE . 68.7 mt -61.14 -77.17 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.347 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 113' ' ' ALA . 2.7 tt0 -37.3 -51.68 1.07 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -47.68 -53.6 14.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.265 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 24.5 mt -55.62 -54.72 22.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.527 ' CG ' ' CG1' ' A' ' 71' ' ' VAL . 26.5 mttt -47.73 -51.45 22.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 18.8 mttt -43.03 -56.16 3.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 109.34 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.707 HD12 ' CB ' ' A' ' 46' ' ' ALA . 1.0 OUTLIER -54.37 -53.48 53.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 109.285 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 33.6 p -70.4 173.01 7.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.408 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 74.7 m -63.69 95.97 0.12 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.008 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -69.97 120.38 9.61 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.536 1.148 . . . . 0.0 110.995 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 76.71 3.32 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.451 1.764 . . . . 0.0 111.003 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 24.6 m 62.34 164.55 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 110.029 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 21.1 t -129.48 149.35 51.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.003 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.944 0 O-C-N 124.488 1.117 . . . . 0.0 111.011 179.97 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.6 p -159.76 134.24 7.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 0.758 . . . . 0.0 110.008 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.6 p -172.25 170.81 5.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 110.038 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.7 -177.43 51.12 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.513 1.133 . . . . 0.0 111.038 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -147.4 81.99 1.53 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 0.745 . . . . 0.0 109.988 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.72 141.99 49.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 109.992 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.9 -113.18 0.03 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.482 1.114 . . . . 0.0 111.025 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.1 p -159.39 88.42 0.87 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 0.769 . . . . 0.0 109.987 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -103.69 164.44 11.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -87.01 117.86 26.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.955 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.478 ' CG2' ' HB2' ' A' ' 14' ' ' LEU . 5.9 m -46.38 166.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.42 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.759 HG13 ' H ' ' A' ' 13' ' ' GLU . 1.6 p -149.55 -69.04 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.162 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.759 ' H ' HG13 ' A' ' 12' ' ' VAL . 46.2 mt-10 -58.63 -46.06 87.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.259 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.743 HD11 ' CG ' ' A' ' 49' ' ' HIS . 1.4 mm? -80.61 -0.39 37.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.316 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 24.5 t -93.2 55.88 2.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.963 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -135.75 162.61 24.96 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.46 1.1 . . . . 0.0 111.008 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.477 ' CB ' ' HD3' ' A' ' 43' ' ' LYS . 4.2 m -69.74 146.13 51.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 0.773 . . . . 0.0 110.387 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.435 HG13 ' HG3' ' A' ' 21' ' ' GLN . 2.3 t -82.57 126.62 40.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.148 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.727 HG13 ' HD2' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -109.67 -35.0 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.343 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.548 ' HG2' ' CD2' ' A' ' 115' ' ' TRP . 3.2 tptt -152.0 142.14 22.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.45 ' OE1' HG23 ' A' ' 40' ' ' VAL . 22.7 mt-30 -144.82 146.08 31.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 110.326 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 164.89 -164.37 36.97 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.5 1.125 . . . . 0.0 111.022 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.517 ' CZ ' ' HD3' ' A' ' 38' ' ' ARG . 57.4 m-85 -117.45 123.23 45.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 0.792 . . . . 0.0 110.984 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.676 HD22 ' O ' ' A' ' 105' ' ' GLN . 35.9 mt -116.16 166.4 12.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.268 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.783 ' HB3' ' HB3' ' A' ' 105' ' ' GLN . . . -116.56 124.1 49.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.47 145.46 27.43 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -96.29 77.36 3.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.321 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -103.35 -100.87 2.61 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.568 1.167 . . . . 0.0 111.016 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -74.56 167.8 21.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.551 0.795 . . . . 0.0 109.6 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -56.45 -80.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 109.273 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 33' ' ' ASN . 0.0 OUTLIER 40.33 78.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.244 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 67.55 -71.37 0.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.45 ' N ' ' O ' ' A' ' 31' ' ' ARG . 57.9 m-80 -156.29 -78.01 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.688 ' CH2' HD22 ' A' ' 91' ' ' LEU . 11.5 m95 -112.27 -176.66 2.97 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.405 ' O ' ' HA ' ' A' ' 25' ' ' ALA . 21.7 mtpt -137.79 117.31 12.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.284 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.4 t -72.49 139.56 19.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.314 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 4.0 mtt-85 -150.65 160.06 44.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.313 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.517 ' HD3' ' CZ ' ' A' ' 23' ' ' TYR . 0.9 OUTLIER -89.45 107.0 18.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.276 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.575 ' CD1' ' HB2' ' A' ' 24' ' ' LEU . 14.8 m-85 -101.24 134.58 44.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 110.981 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.885 ' O ' HD12 ' A' ' 48' ' ' LEU . 11.1 p -118.84 140.76 41.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.693 ' HG ' HD13 ' A' ' 48' ' ' LEU . 0.4 OUTLIER -112.38 113.64 25.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.27 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.444 ' HA ' ' O ' ' A' ' 17' ' ' THR . 0.0 OUTLIER -115.91 145.48 42.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 110.3 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.727 ' HD2' HG13 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -123.46 158.25 31.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 109.291 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.437 ' N ' ' C ' ' A' ' 45' ' ' PRO . 2.0 t0 38.68 79.91 0.3 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.437 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.3 Cg_endo -74.99 165.49 85.8 Favored 'Cis proline' 0 C--N 1.36 1.15 0 C-N-CA 121.019 -2.492 . . . . 0.0 111.021 -0.026 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.556 ' CB ' HD12 ' A' ' 122' ' ' LEU . . . -86.33 100.32 12.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.351 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -146.79 163.8 34.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 111.032 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.885 HD12 ' O ' ' A' ' 40' ' ' VAL . 4.8 tp -141.09 113.69 8.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.354 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.776 ' O ' HG12 ' A' ' 40' ' ' VAL . 70.5 m80 -119.85 161.61 20.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.574 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.575 ' CE2' ' HB ' ' A' ' 61' ' ' VAL . 12.1 p90 -146.62 150.07 34.76 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 111.018 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.686 ' HA ' HG23 ' A' ' 61' ' ' VAL . 11.2 m-85 -124.66 143.09 50.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.967 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -76.49 135.52 68.74 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -15.3 20.8 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.482 1.78 . . . . 0.0 111.02 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.7 t -89.33 -17.3 29.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.023 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.4 170.79 9.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.436 1.085 . . . . 0.0 109.296 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -141.48 81.32 1.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 110.259 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -154.25 150.46 28.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.282 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -74.44 -12.87 60.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.251 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 6.0 mtt-85 -90.03 146.03 34.25 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.312 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.609 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 18.3 Cg_endo -75.01 164.82 32.57 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.491 1.785 . . . . 0.0 111.022 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.686 HG23 ' HA ' ' A' ' 51' ' ' TYR . 2.8 t -64.02 -29.81 48.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 141.48 71.69 0.03 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.489 1.118 . . . . 0.0 110.951 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -64.33 179.03 7.63 Favored Glycine 0 CA--C 1.531 1.043 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.68 ' CE2' HD23 ' A' ' 48' ' ' LEU . 1.6 p90 -134.09 157.81 45.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 0.775 . . . . 0.0 111.041 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 12.6 p -75.58 141.9 42.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.0 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.487 HD21 ' HB3' ' A' ' 48' ' ' LEU . 42.5 mt -95.64 -33.93 12.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 23.7 mmt180 -48.32 99.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.284 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 94.86 26.98 11.72 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.439 1.087 . . . . 0.0 111.0 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 66' ' ' LEU . 52.2 m -111.62 -174.68 2.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 0.747 . . . . 0.0 109.981 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.903 HD13 ' N ' ' A' ' 71' ' ' VAL . 2.9 tm? -155.01 156.6 36.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.903 ' N ' HD13 ' A' ' 70' ' ' LEU . 8.6 p -140.85 145.98 24.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.332 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.3 p -155.52 168.32 27.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.024 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -97.92 168.5 10.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.736 HD21 ' HB3' ' A' ' 93' ' ' LYS . 2.6 mt -115.22 137.83 51.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.332 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 168.65 62.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.088 . . . . 0.0 110.321 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 77' ' ' ASN . 3.3 t70 -93.78 81.7 4.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.405 ' C ' ' O ' ' A' ' 76' ' ' ASP . 3.4 m-20 40.27 85.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.683 ' C ' HG13 ' A' ' 79' ' ' VAL . . . 58.21 108.51 0.01 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.51 1.131 . . . . 0.0 111.016 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.683 HG13 ' C ' ' A' ' 78' ' ' GLY . 1.5 m 60.43 144.73 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.524 0.779 . . . . 0.0 109.28 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -161.91 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.471 1.774 . . . . 0.0 110.993 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.2 m -64.14 -139.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 110.358 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -59.72 93.87 0.06 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.468 1.105 . . . . 0.0 111.004 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.713 ' O ' HG12 ' A' ' 83' ' ' VAL . 2.3 t -145.71 85.89 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.48 0.753 . . . . 0.0 109.327 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 83' ' ' VAL . 0.0 OUTLIER -37.36 150.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.09 . . . . 0.0 109.296 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 86' ' ' ASN . . . 37.58 44.76 1.32 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.471 1.107 . . . . 0.0 111.026 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.426 ' OD1' ' N ' ' A' ' 87' ' ' VAL . 10.1 p30 38.74 -156.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 0.782 . . . . 0.0 109.293 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.631 HG23 ' CZ2' ' A' ' 34' ' ' TRP . 9.6 p -133.43 163.79 36.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.455 ' O ' ' O ' ' A' ' 87' ' ' VAL . 13.4 mm100 -41.04 -96.39 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.093 . . . . 0.0 110.281 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -105.25 -109.56 3.42 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.521 1.138 . . . . 0.0 111.008 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -98.45 -48.73 4.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 0.76 . . . . 0.0 109.283 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.688 HD22 ' CH2' ' A' ' 34' ' ' TRP . 3.0 mp 55.27 -173.21 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.623 ' HB3' HD11 ' A' ' 116' ' ' ILE . 45.5 p90 -149.72 164.25 35.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 110.999 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.736 ' HB3' HD21 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -121.03 164.87 16.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.434 HG22 HG23 ' A' ' 71' ' ' VAL . 92.5 t -136.4 112.77 12.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.684 HD11 ' NZ ' ' A' ' 93' ' ' LYS . 21.4 mt -96.83 102.49 13.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 15.1 p -82.25 -178.69 7.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.374 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 2.2 ptmt -65.78 -11.58 47.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 109.261 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -91.89 17.37 9.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 109.327 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 47.43 35.28 3.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.259 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 98.4 m -105.0 123.4 47.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 110.45 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.565 ' CD2' HG12 ' A' ' 95' ' ' ILE . 16.7 m170 -92.61 101.93 14.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.638 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -93.19 103.62 15.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 111.016 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -76.46 108.61 9.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 111.009 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.563 ' HB ' ' CZ ' ' A' ' 92' ' ' PHE . 73.2 mt -114.59 158.31 14.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.783 ' HB3' ' HB3' ' A' ' 25' ' ' ALA . 52.4 tt0 -107.27 165.93 11.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.32 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.797 ' HB1' ' HB3' ' A' ' 111' ' ' GLU . . . -129.03 160.56 32.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.267 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.14 -34.29 74.77 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.48 1.113 . . . . 0.0 109.997 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.67 177.55 11.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.95 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 34.3 mttt -59.1 -35.25 73.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -72.59 -48.1 42.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.28 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.797 ' HB3' ' HB1' ' A' ' 106' ' ' ALA . 1.3 tp10 -45.53 -38.99 6.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 110.288 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.74 ' HG3' ' HB3' ' A' ' 106' ' ' ALA . 7.6 mtm-85 -56.73 -75.05 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.287 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.509 ' O ' ' N ' ' A' ' 117' ' ' GLU . . . -35.78 -54.97 0.73 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.236 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.451 ' O ' ' HB2' ' A' ' 118' ' ' ALA . 37.1 mm-40 -52.16 -55.04 23.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 110.281 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' TRP . . . . . 0.548 ' CD2' ' HG2' ' A' ' 20' ' ' LYS . 54.7 m95 -60.44 -47.12 87.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 108.038 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.623 HD11 ' HB3' ' A' ' 92' ' ' PHE . 5.5 mt -59.2 -76.76 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.509 ' N ' ' O ' ' A' ' 113' ' ' ALA . 2.8 tt0 -37.69 -47.88 1.01 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 110.28 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.48 ' HB1' HD13 ' A' ' 41' ' ' LEU . . . -49.32 -59.54 3.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 109.281 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 61.8 mt -54.18 -49.49 62.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 109.31 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.497 ' HG2' ' CG1' ' A' ' 71' ' ' VAL . 21.9 mttt -43.44 -52.3 6.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 14.5 mttt -46.84 -59.89 2.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.334 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.556 HD12 ' CB ' ' A' ' 46' ' ' ALA . 0.7 OUTLIER -45.1 -59.37 2.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.348 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . 0.472 ' OG1' ' N ' ' A' ' 124' ' ' SER . 70.9 p -63.94 -81.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 110.374 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . 0.472 ' N ' ' OG1' ' A' ' 123' ' ' THR . 2.8 m -89.31 143.21 27.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.134 . . . . 0.0 110.016 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -106.16 -101.44 2.72 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.503 1.127 . . . . 0.0 111.007 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 171.13 18.92 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.508 1.794 . . . . 0.0 110.996 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 45.76 93.51 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 110.0 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 41.3 t -144.65 -61.93 0.37 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.04 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.497 1.123 . . . . 0.0 110.97 179.952 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 m -170.94 156.82 5.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 0.752 . . . . 0.0 109.967 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -179.32 110.76 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.988 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.6 72.29 0.08 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.514 1.134 . . . . 0.0 111.009 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.4 p -152.61 79.25 1.22 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 0.769 . . . . 0.0 110.005 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.3 t -172.65 124.25 0.46 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 109.976 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.73 116.37 0.7 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.464 1.102 . . . . 0.0 111.002 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 29.1 t -169.33 -56.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 0.757 . . . . 0.0 109.998 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -159.18 95.47 1.26 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -151.3 64.67 0.89 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.0 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.492 ' OG1' ' N ' ' A' ' 12' ' ' VAL . 0.2 OUTLIER -133.72 -176.27 4.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.426 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.492 ' N ' ' OG1' ' A' ' 11' ' ' THR . 11.5 p -157.49 -48.91 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.485 ' HG3' HG13 ' A' ' 12' ' ' VAL . 1.5 mp0 -63.74 -39.22 93.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 110.301 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -85.39 7.05 23.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.6 p -98.66 44.81 1.02 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 109.986 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -117.63 156.7 15.5 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.527 1.142 . . . . 0.0 111.03 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.6 m -70.03 121.05 16.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.449 0.735 . . . . 0.0 110.426 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.473 HG13 ' HG3' ' A' ' 21' ' ' GLN . 2.3 t -57.59 122.16 6.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.648 HG13 ' HE2' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -110.23 -27.15 2.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.529 1.143 . . . . 0.0 109.258 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.528 ' HG2' ' CD2' ' A' ' 115' ' ' TRP . 2.9 tptt -157.23 141.5 16.38 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.551 1.157 . . . . 0.0 109.361 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.875 ' NE2' HG23 ' A' ' 40' ' ' VAL . 6.7 mt-30 -144.93 148.15 33.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.288 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 163.12 -165.01 36.32 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.532 1.145 . . . . 0.0 111.017 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.565 ' CE2' ' HB2' ' A' ' 38' ' ' ARG . 68.8 m-85 -118.28 121.19 39.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 0.785 . . . . 0.0 110.989 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.561 ' HB2' ' CD1' ' A' ' 39' ' ' PHE . 51.2 mt -115.41 167.77 10.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.249 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.916 ' HB3' ' HB3' ' A' ' 105' ' ' GLN . . . -111.39 112.63 24.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.329 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.6 tttt -100.61 100.36 11.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.336 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.52 ' HB2' ' CE3' ' A' ' 34' ' ' TRP . 0.0 OUTLIER -64.77 153.52 39.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.351 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 79.27 103.26 0.23 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.497 1.123 . . . . 0.0 111.01 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.452 ' CE1' ' HB3' ' A' ' 30' ' ' LYS . 0.9 OUTLIER -170.56 -68.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.445 0.732 . . . . 0.0 109.581 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.452 ' HB3' ' CE1' ' A' ' 29' ' ' HIS . 1.0 OUTLIER -160.11 -50.32 0.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.266 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.66 165.19 0.9 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 110.272 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.9 ttpt -70.56 -70.1 0.32 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -77.31 -157.85 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.304 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.797 ' CZ2' HG21 ' A' ' 87' ' ' VAL . 10.1 m95 -77.1 156.71 31.49 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.0 107.99 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.92 126.09 47.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.4 t -74.09 138.49 21.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.401 ' HD3' HG21 ' A' ' 61' ' ' VAL . 13.5 mtt-85 -146.83 153.47 40.2 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.446 1.091 . . . . 0.0 110.305 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.565 ' HB2' ' CE2' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -81.71 102.53 10.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.309 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.561 ' CD1' ' HB2' ' A' ' 24' ' ' LEU . 12.3 m-85 -96.72 134.42 40.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 110.981 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.962 ' O ' HD12 ' A' ' 48' ' ' LEU . 9.4 p -116.67 141.57 34.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.678 ' HG ' HD13 ' A' ' 48' ' ' LEU . 0.4 OUTLIER -116.01 120.28 38.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 37.0 mtt-85 -125.24 149.25 48.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.286 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.648 ' HE2' HG13 ' A' ' 19' ' ' VAL . 1.4 pttt -126.23 148.22 49.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.481 ' N ' ' C ' ' A' ' 45' ' ' PRO . 44.3 t0 47.84 77.73 0.44 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.138 . . . . 0.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.481 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.4 Cg_endo -74.97 169.62 74.05 Favored 'Cis proline' 0 C--N 1.36 1.176 0 C-N-CA 121.033 -2.486 . . . . 0.0 111.0 -0.044 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.587 ' CB ' HD12 ' A' ' 122' ' ' LEU . . . -95.07 92.84 7.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.415 ' CD2' ' HB3' ' A' ' 13' ' ' GLU . 17.3 m-85 -139.38 155.59 47.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.471 1.107 . . . . 0.0 110.99 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.962 HD12 ' O ' ' A' ' 40' ' ' VAL . 5.1 tp -132.75 113.72 13.29 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.698 ' O ' HG12 ' A' ' 40' ' ' VAL . 67.4 m80 -116.35 158.18 23.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.408 1.068 . . . . 0.0 109.611 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.412 ' HA ' ' O ' ' A' ' 38' ' ' ARG . 39.4 p90 -143.1 142.44 31.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 111.0 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.767 ' HA ' HG23 ' A' ' 61' ' ' VAL . 31.0 m-85 -116.39 163.68 15.68 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.535 1.147 . . . . 0.0 111.013 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.572 ' N ' ' CG2' ' A' ' 61' ' ' VAL . 0.0 OUTLIER -91.36 126.87 53.13 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.575 1.172 . . . . 0.0 109.33 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 -43.59 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.464 1.77 . . . . 0.0 111.026 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.86 -29.12 69.34 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 110.019 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.402 ' HB2' ' CG ' ' A' ' 52' ' ' ASP . 29.8 mmtt -95.63 176.06 6.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -151.9 100.53 2.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.312 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -159.33 144.49 15.75 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.102 . . . . 0.0 110.295 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 37.9 m-20 -71.55 60.19 0.33 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.463 ' CD ' ' HD2' ' A' ' 60' ' ' PRO . 0.0 OUTLIER -170.3 140.5 1.57 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 110.3 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.494 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 18.3 Cg_endo -74.95 161.34 39.06 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.488 1.783 . . . . 0.0 110.999 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.767 HG23 ' HA ' ' A' ' 51' ' ' TYR . 1.1 t -79.05 -12.37 13.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 175.36 -140.54 5.28 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.512 1.132 . . . . 0.0 111.011 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 134.51 125.39 2.55 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.663 ' CZ ' HD23 ' A' ' 48' ' ' LEU . 2.5 p90 -115.85 160.33 20.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 0.752 . . . . 0.0 111.005 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.8 p -75.49 156.83 34.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 109.969 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' A' ' 69' ' ' SER . 84.7 mt -114.57 -42.43 3.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.5 105.75 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 110.285 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 89.97 31.21 11.27 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.485 1.115 . . . . 0.0 111.029 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.414 ' N ' ' O ' ' A' ' 66' ' ' LEU . 58.7 m -116.26 -178.86 3.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 0.77 . . . . 0.0 110.016 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 95' ' ' ILE . 12.2 tp -147.34 157.02 43.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.683 HG13 ' HD2' ' A' ' 120' ' ' LYS . 2.4 p -138.0 145.21 29.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 23.7 m -148.34 163.51 36.86 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.492 1.12 . . . . 0.0 110.042 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -97.29 161.9 13.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.689 HD12 ' CB ' ' A' ' 91' ' ' LEU . 9.4 mt -104.16 133.75 48.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -50.68 166.53 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.315 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -106.29 151.21 25.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.28 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 66.5 t30 65.84 95.9 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 133.49 171.3 12.62 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.508 1.13 . . . . 0.0 111.041 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.545 HG23 ' HD2' ' A' ' 80' ' ' PRO . 4.8 p -121.95 140.26 31.8 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.501 0.765 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.545 ' HD2' HG23 ' A' ' 79' ' ' VAL . 18.4 Cg_endo -74.98 177.32 8.74 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.539 1.81 . . . . 0.0 111.005 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.402 ' C ' ' O ' ' A' ' 80' ' ' PRO . 43.2 m -38.65 109.05 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 110.391 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 83' ' ' VAL . . . 56.43 -89.6 0.01 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.486 1.117 . . . . 0.0 110.978 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.469 ' O ' HG12 ' A' ' 83' ' ' VAL . 24.4 t 37.63 87.22 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.511 0.771 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 83' ' ' VAL . 4.1 mmtt -39.66 132.21 1.67 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 98.72 -139.01 14.21 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.46 1.1 . . . . 0.0 111.033 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 10.6 p30 -179.25 70.52 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 0.76 . . . . 0.0 109.271 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.797 HG21 ' CZ2' ' A' ' 34' ' ' TRP . 14.9 m -74.58 163.09 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.43 ' N ' HD11 ' A' ' 91' ' ' LEU . 4.7 pt20 -175.7 36.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 110.296 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 90' ' ' ASN . . . -106.64 83.14 0.34 Allowed Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.528 1.143 . . . . 0.0 111.04 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.409 ' C ' ' O ' ' A' ' 89' ' ' GLY . 1.8 p30 39.55 65.8 0.65 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.432 0.725 . . . . 0.0 109.233 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.689 ' CB ' HD12 ' A' ' 74' ' ' LEU . 1.3 mt -96.24 -179.73 4.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.479 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 15.2 p90 -170.76 158.83 6.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 0.0 110.986 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.03 165.22 16.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 78.9 t -129.54 105.36 12.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.578 HG12 ' CD2' ' A' ' 101' ' ' HIS . 80.1 mt -90.39 104.19 15.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 30.3 p -78.71 -174.72 4.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 110.407 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 1.5 ptmt -68.29 -8.76 42.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.342 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -100.29 5.17 44.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.493 ' HA ' HG23 ' A' ' 95' ' ' ILE . 0.6 OUTLIER 47.15 40.74 10.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.328 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 2.7 m -75.31 -47.76 26.31 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.467 1.104 . . . . 0.0 110.389 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.578 ' CD2' HG12 ' A' ' 95' ' ' ILE . 4.3 m170 78.16 92.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.601 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 51.3 m-85 -99.8 117.52 34.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 110.991 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -80.77 131.29 35.41 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 0.0 111.022 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.479 ' HB ' ' CZ ' ' A' ' 92' ' ' PHE . 63.2 mt -141.14 161.51 22.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.916 ' HB3' ' HB3' ' A' ' 25' ' ' ALA . 40.4 tt0 -125.18 151.88 45.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.31 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.458 ' HA ' ' CD2' ' A' ' 24' ' ' LEU . . . -105.98 150.92 25.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.53 -51.24 63.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 110.038 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -125.57 159.29 32.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.979 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 33.6 tttt -45.04 -56.27 4.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.095 . . . . 0.0 109.268 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 111' ' ' GLU . . . -56.46 -52.76 63.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.409 ' HG3' ' CD1' ' A' ' 115' ' ' TRP . 0.2 OUTLIER -38.18 -42.22 0.66 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 0.0 110.347 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.411 ' HA ' ' HB2' ' A' ' 106' ' ' ALA . 17.4 ttp180 -53.96 -70.85 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.312 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.431 ' O ' ' N ' ' A' ' 117' ' ' GLU . . . -46.81 -42.78 17.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 109.339 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.446 ' O ' ' HB2' ' A' ' 118' ' ' ALA . 2.8 mt-10 -55.63 -53.7 53.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 110.288 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' TRP . . . . . 0.528 ' CD2' ' HG2' ' A' ' 20' ' ' LYS . 81.4 m95 -63.77 -43.03 97.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 107.999 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.408 HG22 ' CE ' ' A' ' 120' ' ' LYS . 48.7 mt -60.28 -77.14 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.316 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 113' ' ' ALA . 2.1 tt0 -38.37 -38.45 0.37 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 0.0 110.298 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.446 ' HB2' ' O ' ' A' ' 114' ' ' GLU . . . -57.87 -67.89 0.3 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.43 ' O ' ' C ' ' A' ' 120' ' ' LYS . 8.0 mt -40.37 -60.32 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.683 ' HD2' HG13 ' A' ' 71' ' ' VAL . 0.2 OUTLIER -38.67 -41.25 0.68 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 109.252 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 118' ' ' ALA . 12.1 mttt -59.37 -59.18 5.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.117 . . . . 0.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.587 HD12 ' CB ' ' A' ' 46' ' ' ALA . 0.5 OUTLIER -46.92 -59.08 3.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 71.8 p -52.55 -52.64 53.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 110.416 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 176.66 -66.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.994 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 70.38 109.65 0.04 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.487 1.117 . . . . 0.0 111.045 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 63.53 6.02 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.47 1.774 . . . . 0.0 110.964 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 6.5 t 176.26 144.37 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.976 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 34.9 t 50.95 91.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 110.024 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.474 1.109 . . . . 0.0 111.013 179.988 . . . . . . . . 0 0 . 1 stop_ save_