data_2i9n_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 2i9n _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.322 -0.622 . . . . 75.420000000000002 109.322 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.659 ' CZ2' ' CD2' ' A' ' 11' ' ' TYR . 1.5 p-90 -107.98 -174.23 2.47 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.548 1.155 . . . . 75.109999999999999 107.974 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.6 p -138.25 107.81 6.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 72.310000000000002 110.404 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.575 ' HB2' ' CZ3' ' A' ' 4' ' ' TRP . 7.8 t80 -92.96 -62.81 1.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 74.329999999999998 110.985 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 32.0 m-20 -131.12 55.39 1.85 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 74.010000000000005 109.275 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 67.34 23.52 73.39 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.449 1.093 . . . . 75.129999999999995 111.014 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.514 HG13 ' CE1' ' A' ' 11' ' ' TYR . 0.1 OUTLIER -125.69 122.11 61.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.483 0.754 . . . . 74.219999999999999 109.325 179.941 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -78.19 112.24 14.96 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 74.400000000000006 110.403 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.659 ' CD2' ' CZ2' ' A' ' 4' ' ' TRP . 5.7 m-85 -87.15 156.16 19.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 75.510000000000005 110.976 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.567 1.167 . . . . 62.399999999999999 110.311 -179.999 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.602 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 CA-C-O 120.536 0.208 . . . . 74.400000000000006 111.039 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.463 ' N ' ' CG ' ' A' ' 22' ' ' TYR . . . -58.29 -61.2 2.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 74.340000000000003 109.278 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.449 ' O ' ' CB ' ' A' ' 27' ' ' ALA . 1.0 OUTLIER -40.21 -42.53 1.5 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 75.439999999999998 109.273 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 34.1 mtp85 -66.16 -53.25 39.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 73.310000000000002 110.267 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 6.2 mt -52.68 -24.38 6.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 74.319999999999993 109.279 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.449 ' CB ' ' O ' ' A' ' 24' ' ' LYS . . . -40.41 -35.93 0.49 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 72.340000000000003 109.299 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -74.82 -59.55 2.68 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 72.230000000000004 110.296 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -40.53 -45.59 2.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 74.239999999999995 109.303 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.2 mtm . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 73.530000000000001 110.982 -179.971 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.316 -0.624 . . . . 73.230000000000004 109.316 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.576 ' CE3' ' HB2' ' A' ' 6' ' ' TYR . 7.8 p-90 -124.06 105.67 9.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 75.129999999999995 108.01 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 23.8 m -67.55 94.43 0.41 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.135 . . . . 72.109999999999999 110.374 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.576 ' HB2' ' CE3' ' A' ' 4' ' ' TRP . 0.3 OUTLIER -111.52 134.18 53.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 74.230000000000004 110.987 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.3 t30 68.83 24.99 6.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 73.329999999999998 109.353 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 70.42 32.29 68.19 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.476 1.11 . . . . 75.109999999999999 110.989 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.614 ' CD1' ' CE1' ' A' ' 11' ' ' TYR . 0.7 OUTLIER -146.62 140.5 20.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.474 0.749 . . . . 63.049999999999997 109.335 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -94.55 137.41 33.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 74.129999999999995 110.409 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.614 ' CE1' ' CD1' ' A' ' 9' ' ' ILE . 3.7 m-85 -100.48 -175.43 2.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 73.349999999999994 111.019 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.151 . . . . 73.510000000000005 110.325 -179.999 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.642 ' CD1' ' N ' ' A' ' 23' ' ' ALA . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.463 0.173 . . . . 71.340000000000003 110.97 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.642 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -49.21 -45.47 44.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 61.420000000000002 109.277 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.413 ' HD2' ' NH2' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -53.35 -44.88 68.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.567 1.167 . . . . 73.319999999999993 109.307 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.413 ' NH2' ' HD2' ' A' ' 24' ' ' LYS . 1.1 mmp_? -65.44 -35.95 82.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 73.510000000000005 110.302 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.7 mm -56.79 -55.12 21.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 73.430000000000007 109.309 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -46.06 -50.39 15.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 74.400000000000006 109.26 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -51.73 -61.06 2.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.1 . . . . 74.420000000000002 110.349 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -45.86 -58.66 3.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 73.340000000000003 109.294 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 75.0 110.976 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.289 -0.634 . . . . 75.239999999999995 109.289 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.583 ' CZ3' ' HB2' ' A' ' 6' ' ' TYR . 1.4 p-90 -113.68 -174.55 2.49 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.974 -1.121 . . . . 73.319999999999993 107.974 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.6 p -135.6 107.39 7.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 53.049999999999997 110.407 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.583 ' HB2' ' CZ3' ' A' ' 4' ' ' TRP . 2.5 t80 -95.24 -55.34 3.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 74.099999999999994 110.972 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -104.22 -70.05 0.78 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 75.310000000000002 109.316 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -174.24 33.01 0.1 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.538 1.149 . . . . 75.129999999999995 111.021 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.518 ' O ' ' CD1' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -143.62 120.43 5.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.541 0.789 . . . . 74.299999999999997 109.31 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.3 m -44.73 94.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 71.5 110.413 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.518 ' CD1' ' O ' ' A' ' 9' ' ' ILE . 5.4 m-30 -78.71 141.03 38.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 74.420000000000002 110.989 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 72.549999999999997 110.308 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.653 ' CD1' ' N ' ' A' ' 23' ' ' ALA . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.463 0.173 . . . . 75.409999999999997 110.97 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.653 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -46.71 -46.21 20.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 73.340000000000003 109.29 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.0 -45.52 82.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 72.349999999999994 109.333 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 40.4 mtp180 -61.59 -35.79 78.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.117 . . . . 63.350000000000001 110.284 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.2 mm -57.22 -54.99 23.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 74.450000000000003 109.287 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -45.99 -49.34 16.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 64.439999999999998 109.298 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -54.35 -60.63 3.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 74.430000000000007 110.329 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -46.24 -59.33 2.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 73.150000000000006 109.285 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 19.2 mtm . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 74.530000000000001 111.049 -179.978 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.476 ' HB2' ' CG2' ' A' ' 10' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.272 -0.64 . . . . 72.420000000000002 109.272 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.514 ' CZ3' ' HB2' ' A' ' 6' ' ' TYR . 3.0 p-90 -129.53 152.74 48.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 74.5 108.0 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 32.8 m -112.84 100.8 8.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 72.439999999999998 110.375 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.514 ' HB2' ' CZ3' ' A' ' 4' ' ' TRP . 3.7 t80 -102.3 -53.41 2.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.125 . . . . 73.299999999999997 111.037 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . 0.477 ' HB3' ' CG2' ' A' ' 9' ' ' ILE . 18.7 t-20 -103.82 27.91 7.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 72.409999999999997 109.299 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 69.8 14.5 70.33 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.455 1.097 . . . . 64.519999999999996 110.986 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.607 ' O ' ' CE1' ' A' ' 11' ' ' TYR . 0.1 OUTLIER -127.82 122.02 57.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.566 0.804 . . . . 75.239999999999995 109.331 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.476 ' CG2' ' HB2' ' A' ' 3' ' ' LYS . 17.4 m -72.23 116.29 12.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 65.25 110.428 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.607 ' CE1' ' O ' ' A' ' 9' ' ' ILE . 3.6 m-85 -88.31 -63.88 1.23 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 73.310000000000002 111.017 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.422 ' CB ' ' HA ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 72.409999999999997 110.28 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.65 ' CD1' ' N ' ' A' ' 23' ' ' ALA . 0.6 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 CA-C-O 120.482 0.182 . . . . 73.200000000000003 110.955 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.65 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -46.92 -39.84 13.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.122 . . . . 73.510000000000005 109.28 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.42 ' HG3' ' N ' ' A' ' 25' ' ' ARG . 1.1 ptpt -59.24 -48.73 80.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 64.209999999999994 109.292 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.42 ' N ' ' HG3' ' A' ' 24' ' ' LYS . 1.0 OUTLIER -60.64 -32.7 71.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 75.230000000000004 110.289 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.9 mm -60.59 -58.22 8.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 54.520000000000003 109.291 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -48.07 -48.74 33.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 63.240000000000002 109.33 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -53.28 -60.02 3.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 74.140000000000001 110.328 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -40.58 -63.17 0.67 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.11 . . . . 72.450000000000003 109.306 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 70.219999999999999 110.995 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.467 ' HG3' ' CG2' ' A' ' 10' ' ' THR . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.32 -0.622 . . . . 74.140000000000001 109.32 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.517 ' CZ3' ' HB2' ' A' ' 6' ' ' TYR . 1.7 p-90 -115.22 -174.46 2.51 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.985 -1.117 . . . . 74.239999999999995 107.985 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 32.4 m -146.71 105.01 3.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 74.340000000000003 110.394 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.517 ' HB2' ' CZ3' ' A' ' 4' ' ' TRP . 0.7 OUTLIER -92.64 -63.68 1.2 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 74.430000000000007 110.982 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -77.36 -75.23 0.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 73.239999999999995 109.29 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.47 ' O ' ' CG2' ' A' ' 9' ' ' ILE . . . -177.34 34.72 0.08 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.483 1.115 . . . . 75.129999999999995 111.045 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.614 ' O ' ' CE1' ' A' ' 11' ' ' TYR . 2.3 pp -156.0 141.49 9.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.479 0.752 . . . . 73.519999999999996 109.299 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.467 ' CG2' ' HG3' ' A' ' 3' ' ' LYS . 2.3 m -78.4 133.65 37.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 75.400000000000006 110.35 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.614 ' CE1' ' O ' ' A' ' 9' ' ' ILE . 1.8 m-85 -97.56 -63.65 1.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 74.340000000000003 110.977 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 71.319999999999993 110.279 -179.978 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.655 ' CD1' ' N ' ' A' ' 23' ' ' ALA . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 CA-C-O 120.523 0.201 . . . . 75.340000000000003 111.001 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.655 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -40.05 -29.67 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 73.030000000000001 109.312 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.458 ' N ' ' C ' ' A' ' 22' ' ' TYR . 4.5 mttt -68.93 -55.7 10.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 72.510000000000005 109.302 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.49 ' HG3' ' N ' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -53.05 -27.96 22.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.107 . . . . 73.230000000000004 110.33 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.49 ' N ' ' HG3' ' A' ' 25' ' ' ARG . 5.3 mm -64.81 -62.61 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.422 1.076 . . . . 74.430000000000007 109.292 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -43.72 -48.75 7.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 72.439999999999998 109.31 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -51.16 -60.11 3.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 62.049999999999997 110.347 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -41.36 -59.5 1.54 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 73.040000000000006 109.302 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 75.409999999999997 110.996 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.494 ' CG ' ' O ' ' A' ' 12' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.313 -0.625 . . . . 73.140000000000001 109.313 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.507 ' CZ3' ' HB2' ' A' ' 6' ' ' TYR . 10.8 p-90 -126.8 147.94 49.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 75.319999999999993 108.006 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.2 p -115.71 103.57 10.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 74.349999999999994 110.38 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.507 ' HB2' ' CZ3' ' A' ' 4' ' ' TRP . 2.5 t80 -92.94 -41.84 9.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 75.030000000000001 111.001 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -101.53 -77.78 0.54 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 70.409999999999997 109.299 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.522 ' O ' ' CG2' ' A' ' 9' ' ' ILE . . . -169.23 28.31 0.14 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.514 1.134 . . . . 55.399999999999999 110.991 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.614 ' O ' ' CE1' ' A' ' 11' ' ' TYR . 2.3 pp -158.83 146.56 7.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.511 0.771 . . . . 71.319999999999993 109.266 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.474 ' CG2' ' HB3' ' A' ' 3' ' ' LYS . 0.7 OUTLIER -80.82 130.08 34.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.444 1.09 . . . . 75.510000000000005 110.427 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.614 ' CE1' ' O ' ' A' ' 9' ' ' ILE . 1.6 m-30 -94.53 -64.06 1.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 74.040000000000006 110.994 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.494 ' O ' ' CG ' ' A' ' 3' ' ' LYS . 8.5 pt-20 . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 74.430000000000007 110.301 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.62 ' CD1' ' N ' ' A' ' 23' ' ' ALA . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.514 0.197 . . . . 75.209999999999994 110.978 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.62 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -43.86 -43.16 6.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 72.030000000000001 109.293 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.14 -44.98 96.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 74.5 109.256 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.412 ' N ' ' O ' ' A' ' 22' ' ' TYR . 7.1 mmm180 -58.73 -40.13 82.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.158 . . . . 75.209999999999994 110.283 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.7 mm -54.62 -63.46 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 71.129999999999995 109.266 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -44.25 -49.04 9.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 73.209999999999994 109.308 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -51.81 -59.89 3.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 72.040000000000006 110.29 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -47.92 -59.12 3.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.428 1.08 . . . . 75.329999999999998 109.27 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 41.9 mtt . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 71.409999999999997 110.988 179.986 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.5 mttt . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.285 -0.635 . . . . 74.430000000000007 109.285 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.575 ' CZ3' ' HB2' ' A' ' 6' ' ' TYR . 1.6 p-90 -110.24 -174.44 2.49 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.004 -1.11 . . . . 75.109999999999999 108.004 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 37.1 m -134.73 108.14 7.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 73.400000000000006 110.447 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.575 ' HB2' ' CZ3' ' A' ' 4' ' ' TRP . 2.5 t80 -95.74 -62.39 1.3 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.56 1.162 . . . . 73.219999999999999 110.971 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -107.15 40.86 1.58 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.089 . . . . 71.409999999999997 109.287 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.411 ' C ' ' CG2' ' A' ' 9' ' ' ILE . . . 66.55 37.38 92.54 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.467 1.104 . . . . 61.149999999999999 111.002 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.589 HD13 ' CE1' ' A' ' 11' ' ' TYR . 0.9 OUTLIER -151.44 139.36 14.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.524 0.779 . . . . 74.400000000000006 109.296 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.37 109.63 5.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.15 . . . . 71.239999999999995 110.388 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.589 ' CE1' HD13 ' A' ' 9' ' ' ILE . 3.0 m-30 -80.6 152.41 28.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 74.439999999999998 111.019 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 62.240000000000002 110.306 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.648 ' CD1' ' N ' ' A' ' 23' ' ' ALA . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.529 0.204 . . . . 71.129999999999995 111.014 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.648 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -54.44 -50.29 68.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 75.150000000000006 109.322 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -50.27 -31.85 15.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 74.230000000000004 109.26 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 13.7 mmm180 -83.76 -25.13 30.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 73.409999999999997 110.323 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.415 ' N ' ' O ' ' A' ' 23' ' ' ALA . 6.9 mm -64.09 -58.31 7.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 65.340000000000003 109.268 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -48.25 -49.83 31.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 71.530000000000001 109.305 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -48.19 -60.7 2.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 73.209999999999994 110.298 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -47.31 -60.04 2.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 72.109999999999999 109.304 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 8.6 mtt . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 75.439999999999998 111.025 -179.984 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.275 -0.639 . . . . 74.439999999999998 109.275 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.579 ' CZ3' ' HB2' ' A' ' 6' ' ' TYR . 1.7 p-90 -117.51 -174.62 2.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 71.219999999999999 107.979 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.4 p -134.95 108.45 7.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 74.0 110.399 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.579 ' HB2' ' CZ3' ' A' ' 4' ' ' TRP . 2.7 t80 -95.61 -62.8 1.23 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 74.200000000000003 111.0 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . 0.405 ' ND2' ' CD2' ' A' ' 6' ' ' TYR . 6.1 m-80 -111.67 44.01 1.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 72.019999999999996 109.29 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 66.91 33.99 85.73 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.537 1.148 . . . . 63.210000000000001 111.02 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.593 HD13 ' CE1' ' A' ' 11' ' ' TYR . 0.7 OUTLIER -146.63 141.4 20.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.508 0.769 . . . . 72.409999999999997 109.25 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -77.13 116.01 17.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 73.420000000000002 110.419 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.593 ' CE1' HD13 ' A' ' 9' ' ' ILE . 3.0 m-85 -85.48 157.43 20.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 65.209999999999994 111.009 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 61.219999999999999 110.296 -179.988 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.652 ' CD1' ' N ' ' A' ' 23' ' ' ALA . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.474 0.178 . . . . 75.340000000000003 111.003 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.652 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -54.4 -52.02 63.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.558 1.161 . . . . 73.340000000000003 109.291 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.0 ttmm -47.09 -34.86 6.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 73.319999999999993 109.301 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.4 mmm180 -80.36 -30.72 37.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 75.129999999999995 110.334 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.451 ' N ' ' O ' ' A' ' 23' ' ' ALA . 7.3 mm -58.26 -57.82 9.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 74.340000000000003 109.312 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -49.55 -52.32 30.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 71.129999999999995 109.306 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -48.74 -62.72 1.36 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 74.140000000000001 110.332 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -44.07 -62.43 1.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 63.299999999999997 109.292 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.2 mmt . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 72.299999999999997 110.988 -179.994 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.402 ' HB2' ' O ' ' A' ' 11' ' ' TYR . 5.0 tppt? . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 109.289 -0.634 . . . . 72.230000000000004 109.289 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.835 ' CH2' ' CD1' ' A' ' 11' ' ' TYR . 7.6 p-90 -151.56 -174.99 5.01 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.016 -1.105 . . . . 74.209999999999994 108.016 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.411 ' HA ' ' O ' ' A' ' 9' ' ' ILE . 2.5 p -141.6 105.62 4.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 64.140000000000001 110.386 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.4 ' HB2' ' CZ3' ' A' ' 4' ' ' TRP . 21.5 t80 -93.45 -62.29 1.39 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 74.109999999999999 110.98 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . 0.415 ' O ' HG13 ' A' ' 9' ' ' ILE . 5.3 t-20 -123.98 64.81 1.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 73.109999999999999 109.291 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 54.73 36.75 60.01 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.485 1.116 . . . . 72.530000000000001 111.016 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.503 ' O ' ' CD1' ' A' ' 9' ' ' ILE . 1.1 pp -140.06 146.26 25.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.503 0.767 . . . . 74.239999999999995 109.288 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -110.51 124.25 51.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 74.219999999999999 110.422 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.835 ' CD1' ' CH2' ' A' ' 4' ' ' TRP . 10.8 m-85 -95.68 163.51 13.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 72.310000000000002 110.977 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 72.019999999999996 110.282 179.985 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.647 ' CD1' ' N ' ' A' ' 23' ' ' ALA . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.441 0.162 . . . . 72.340000000000003 110.963 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.647 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -46.7 -38.29 9.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 73.450000000000003 109.303 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.3 tttp -66.43 -48.95 68.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 75.230000000000004 109.278 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 45.5 mtp180 -58.6 -33.6 70.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 75.340000000000003 110.309 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.7 mm -54.06 -57.63 5.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 72.430000000000007 109.282 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -49.61 -47.02 49.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 74.420000000000002 109.298 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 29' ' ' ALA . 3.6 mt-10 -54.63 -59.44 4.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.1 . . . . 73.329999999999998 110.276 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 28' ' ' GLU . . . -40.21 -59.69 1.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 62.420000000000002 109.264 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 75.140000000000001 110.975 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.317 -0.623 . . . . 74.400000000000006 109.317 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.584 ' CZ3' ' HB2' ' A' ' 6' ' ' TYR . 4.1 p-90 -111.78 -173.14 2.18 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.478 1.112 . . . . 74.340000000000003 108.033 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 24.2 m -141.25 110.44 6.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 74.25 110.408 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.584 ' HB2' ' CZ3' ' A' ' 4' ' ' TRP . 6.0 t80 -91.09 -62.75 1.38 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 73.109999999999999 111.028 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -127.08 52.13 1.82 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 63.539999999999999 109.29 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 67.39 27.51 73.54 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.514 1.134 . . . . 72.140000000000001 110.996 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.517 HG13 ' CE1' ' A' ' 11' ' ' TYR . 0.1 OUTLIER -129.62 122.67 55.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.517 0.775 . . . . 74.319999999999993 109.292 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -78.78 112.72 16.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 74.439999999999998 110.409 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.517 ' CE1' HG13 ' A' ' 9' ' ' ILE . 6.0 m-85 -88.02 155.45 19.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 74.019999999999996 111.0 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 74.340000000000003 110.313 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.633 ' CD1' ' N ' ' A' ' 23' ' ' ALA . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.265 0 CA-C-O 120.499 0.19 . . . . 71.299999999999997 110.944 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.633 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -50.79 -50.98 54.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 71.430000000000007 109.312 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -49.81 -39.8 39.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 72.299999999999997 109.305 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.2 mmm180 -71.84 -36.83 70.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 73.109999999999999 110.312 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.3 mm -53.45 -60.68 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 71.209999999999994 109.298 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -46.02 -52.93 10.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 72.319999999999993 109.293 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -50.1 -62.57 1.5 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 61.0 110.346 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -44.33 -60.01 2.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 61.109999999999999 109.319 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.2 mtm . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 72.219999999999999 111.028 179.971 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.479 ' CB ' ' O ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.312 -0.625 . . . . 74.329999999999998 109.312 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.541 ' CE3' ' HB2' ' A' ' 6' ' ' TYR . 3.3 p-90 -136.01 150.2 49.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 73.310000000000002 108.036 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.9 m -111.62 98.01 7.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 74.519999999999996 110.402 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.541 ' HB2' ' CE3' ' A' ' 4' ' ' TRP . 0.6 OUTLIER -107.45 96.95 6.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 74.5 110.984 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . 0.438 ' C ' ' O ' ' A' ' 6' ' ' TYR . 7.6 t-20 36.94 54.98 1.21 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 60.149999999999999 109.308 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -176.13 -121.35 0.66 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.482 1.114 . . . . 74.519999999999996 110.987 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -126.89 -171.82 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 0.761 . . . . 74.310000000000002 109.284 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -65.97 116.94 7.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 74.420000000000002 110.397 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.479 ' O ' ' CB ' ' A' ' 3' ' ' LYS . 4.2 m-30 -98.14 159.99 14.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 74.209999999999994 110.992 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 74.010000000000005 110.286 -179.995 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.653 ' CD1' ' N ' ' A' ' 23' ' ' ALA . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.52 0.2 . . . . 63.420000000000002 110.996 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.653 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -40.06 -29.47 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 65.109999999999999 109.332 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.45 ' N ' ' C ' ' A' ' 22' ' ' TYR . 6.4 tptm -69.51 -59.29 3.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 73.530000000000001 109.305 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.492 ' HG3' ' N ' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -49.85 -28.01 5.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 71.219999999999999 110.274 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.492 ' N ' ' HG3' ' A' ' 25' ' ' ARG . 7.3 mm -62.7 -60.18 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 73.010000000000005 109.309 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -45.05 -49.17 11.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.464 1.103 . . . . 75.450000000000003 109.314 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -49.34 -60.94 2.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 74.200000000000003 110.301 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -48.83 -58.99 3.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 71.340000000000003 109.282 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 4.5 mtm . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 54.420000000000002 111.041 -179.972 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.466 ' CD ' HG22 ' A' ' 10' ' ' THR . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.339 -0.615 . . . . 75.299999999999997 109.339 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.1 p-90 -137.89 171.74 13.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 74.540000000000006 107.986 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 13.9 m -134.95 97.59 3.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.563 1.164 . . . . 70.450000000000003 110.403 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.419 ' O ' ' C ' ' A' ' 7' ' ' ASN . 3.4 t80 -107.14 90.59 3.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.147 . . . . 74.140000000000001 111.002 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . 0.419 ' C ' ' O ' ' A' ' 6' ' ' TYR . 12.0 m-20 38.18 53.41 1.68 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 72.019999999999996 109.267 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -163.62 -110.0 0.24 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.432 1.082 . . . . 75.150000000000006 111.014 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.622 ' O ' ' CD1' ' A' ' 11' ' ' TYR . 1.8 pp -146.97 170.4 4.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.46 0.741 . . . . 73.209999999999994 109.291 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.466 HG22 ' CD ' ' A' ' 3' ' ' LYS . 1.4 m -48.62 93.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 74.329999999999998 110.408 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.622 ' CD1' ' O ' ' A' ' 9' ' ' ILE . 10.0 m-30 -82.86 142.22 31.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 75.319999999999993 111.036 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 70.129999999999995 110.289 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.63 ' CD1' ' N ' ' A' ' 23' ' ' ALA . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 CA-C-O 120.469 0.176 . . . . 75.310000000000002 110.996 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.63 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -42.06 -52.56 4.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 72.310000000000002 109.312 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.6 mmtt -46.46 -56.47 5.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 70.319999999999993 109.252 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.3 mmm180 -49.76 -42.8 47.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 73.120000000000005 110.326 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.415 ' N ' HD11 ' A' ' 26' ' ' ILE . 5.4 mm -54.41 -65.54 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 73.329999999999998 109.285 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -44.19 -48.96 9.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 54.329999999999998 109.29 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -51.29 -62.72 1.45 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 74.019999999999996 110.262 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -47.18 -60.37 2.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.095 . . . . 71.329999999999998 109.284 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 13.2 mtm . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 64.329999999999998 111.025 179.997 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.271 -0.641 . . . . 75.409999999999997 109.271 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.566 ' CZ3' ' HB2' ' A' ' 6' ' ' TYR . 1.3 p-90 -119.13 -174.25 2.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 73.129999999999995 108.038 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.407 ' HA ' ' O ' ' A' ' 9' ' ' ILE . 53.7 m -139.6 107.24 5.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 75.099999999999994 110.379 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.566 ' HB2' ' CZ3' ' A' ' 4' ' ' TRP . 10.0 t80 -93.54 -46.32 7.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 74.420000000000002 110.987 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -128.59 67.47 1.39 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 73.010000000000005 109.281 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 46.45 45.89 16.93 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.513 1.133 . . . . 75.219999999999999 110.985 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.703 ' CD1' ' CD1' ' A' ' 11' ' ' TYR . 1.2 pp -139.71 166.59 20.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.492 0.76 . . . . 72.450000000000003 109.28 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.416 ' O ' ' CG2' ' A' ' 10' ' ' THR . 1.3 m -101.04 70.85 1.37 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 75.340000000000003 110.366 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.703 ' CD1' ' CD1' ' A' ' 9' ' ' ILE . 4.2 m-30 -63.98 132.62 51.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 74.230000000000004 110.971 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 64.400000000000006 110.311 179.967 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.531 ' CG ' ' N ' ' A' ' 23' ' ' ALA . 17.6 p90 . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.455 0.169 . . . . 72.439999999999998 111.006 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.531 ' N ' ' CG ' ' A' ' 22' ' ' TYR . . . -41.13 -52.07 3.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.581 1.175 . . . . 74.329999999999998 109.284 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.38 -44.44 11.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 74.219999999999999 109.304 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.454 ' N ' ' O ' ' A' ' 22' ' ' TYR . 3.2 mmp_? -72.12 -38.33 69.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 74.439999999999998 110.257 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 47.1 mm -50.24 -52.12 15.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 72.099999999999994 109.27 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -49.76 -52.2 33.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 74.420000000000002 109.313 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -51.85 -61.45 2.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 75.319999999999993 110.323 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -44.44 -60.24 2.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 54.43 109.297 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.6 mtm . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.585 1.178 . . . . 75.420000000000002 111.015 179.956 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.296 -0.631 . . . . 74.120000000000005 109.296 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.557 ' CZ3' ' HB2' ' A' ' 6' ' ' TYR . 2.7 p-90 -130.53 -173.17 2.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 75.530000000000001 108.021 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 56.5 m -138.45 104.98 5.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 74.439999999999998 110.439 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.557 ' HB2' ' CZ3' ' A' ' 4' ' ' TRP . 2.4 t80 -83.56 -62.04 1.68 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 74.340000000000003 110.994 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -102.51 -71.23 0.73 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 72.530000000000001 109.332 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -167.53 30.67 0.18 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.44 1.088 . . . . 65.349999999999994 110.998 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.579 HD13 ' CD1' ' A' ' 11' ' ' TYR . 0.8 OUTLIER -135.87 138.72 47.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.491 0.759 . . . . 74.340000000000003 109.289 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.5 m -70.84 108.16 4.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.163 . . . . 74.439999999999998 110.383 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.579 ' CD1' HD13 ' A' ' 9' ' ' ILE . 2.8 m-85 -80.92 148.6 29.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 73.209999999999994 111.047 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 75.25 110.294 -179.979 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.65 ' CD1' ' N ' ' A' ' 23' ' ' ALA . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.487 0.185 . . . . 73.430000000000007 110.986 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.65 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -50.58 -48.88 57.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 73.200000000000003 109.32 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.83 -48.72 4.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 75.200000000000003 109.289 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.3 mtp180 -66.86 -40.17 87.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 75.299999999999997 110.27 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 16.1 mm -52.01 -51.22 31.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 72.040000000000006 109.282 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -46.55 -53.23 11.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 74.239999999999995 109.271 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -48.36 -59.54 3.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.557 1.161 . . . . 73.430000000000007 110.35 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -44.68 -55.17 5.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 73.140000000000001 109.292 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 28.6 mtp . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 73.239999999999995 110.999 -179.961 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.307 -0.627 . . . . 74.409999999999997 109.307 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.801 ' CZ2' ' CD2' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -149.53 -175.02 4.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 73.030000000000001 108.014 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.454 ' HA ' ' O ' ' A' ' 9' ' ' ILE . 2.5 m -134.91 101.3 4.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 73.340000000000003 110.431 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -115.53 98.44 6.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 74.420000000000002 111.014 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.2 t30 65.87 54.39 1.04 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 74.019999999999996 109.263 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 54.48 57.15 18.54 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.549 1.155 . . . . 62.420000000000002 111.036 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.454 ' O ' ' HA ' ' A' ' 5' ' ' THR . 0.9 OUTLIER -137.98 148.88 24.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.507 0.769 . . . . 73.319999999999993 109.281 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.438 ' N ' HG23 ' A' ' 9' ' ' ILE . 1.3 m -121.2 110.55 16.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 72.109999999999999 110.386 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.801 ' CD2' ' CZ2' ' A' ' 4' ' ' TRP . 9.6 m-85 -88.09 151.84 22.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.1 . . . . 75.0 110.987 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.113 . . . . 74.409999999999997 110.313 179.96 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.656 ' CD1' ' N ' ' A' ' 23' ' ' ALA . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 CA-C-O 120.515 0.198 . . . . 75.519999999999996 111.024 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.656 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -44.44 -26.54 0.36 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 74.209999999999994 109.299 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.417 ' N ' ' C ' ' A' ' 22' ' ' TYR . 9.2 tppt? -74.54 -63.24 1.28 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 74.450000000000003 109.304 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.484 ' HG3' ' N ' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -47.32 -27.7 1.7 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 75.209999999999994 110.301 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.484 ' N ' ' HG3' ' A' ' 25' ' ' ARG . 6.2 mm -57.0 -57.75 8.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 62.109999999999999 109.32 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -49.35 -50.86 38.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 75.219999999999999 109.292 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -50.01 -59.87 3.47 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.527 1.142 . . . . 75.409999999999997 110.327 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -49.02 -59.68 3.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 73.540000000000006 109.26 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 2.0 mtt . . . . . 0 C--N 1.324 -0.529 0 O-C-N 124.504 1.127 . . . . 74.409999999999997 110.993 179.983 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 32.6 ttmt . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.321 -0.622 . . . . 75.329999999999998 109.321 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.543 ' CZ3' ' HB2' ' A' ' 6' ' ' TYR . 2.6 p-90 -90.43 175.12 7.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 74.310000000000002 108.025 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.4 p -125.02 112.5 16.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 72.409999999999997 110.406 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.543 ' HB2' ' CZ3' ' A' ' 4' ' ' TRP . 3.8 t80 -103.6 -55.07 2.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 71.409999999999997 110.995 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -115.96 43.38 2.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 52.530000000000001 109.264 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 67.27 31.25 76.77 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.497 1.123 . . . . 72.129999999999995 111.008 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.595 HD11 ' CD1' ' A' ' 11' ' ' TYR . 0.7 OUTLIER -143.39 140.48 26.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.514 0.773 . . . . 74.5 109.271 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.2 m -73.54 109.03 6.74 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.116 . . . . 74.340000000000003 110.364 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.595 ' CD1' HD11 ' A' ' 9' ' ' ILE . 2.8 m-85 -81.06 151.65 28.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 74.25 110.958 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 74.329999999999998 110.356 179.92 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.598 ' CG ' ' N ' ' A' ' 23' ' ' ALA . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.347 0 CA-C-O 120.552 0.215 . . . . 75.310000000000002 111.027 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.598 ' N ' ' CG ' ' A' ' 22' ' ' TYR . . . -41.59 -53.32 3.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 74.239999999999995 109.315 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -49.39 -52.89 25.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 74.400000000000006 109.321 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.8 mmm180 -51.94 -43.62 63.56 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.47 1.106 . . . . 75.129999999999995 110.286 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.422 HD12 ' N ' ' A' ' 26' ' ' ILE . 5.7 mm -51.28 -63.55 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 71.150000000000006 109.315 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -45.31 -50.67 11.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 73.400000000000006 109.281 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -50.09 -62.83 1.35 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 74.129999999999995 110.328 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -41.88 -61.42 1.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.56 1.162 . . . . 74.010000000000005 109.329 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 37.8 mtt . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 74.519999999999996 111.003 179.964 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.476 ' HG2' ' CG2' ' A' ' 10' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.292 -0.633 . . . . 75.549999999999997 109.292 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.799 ' CZ2' ' CD2' ' A' ' 11' ' ' TYR . 43.7 p-90 -127.22 106.16 9.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 74.510000000000005 107.986 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.2 p -78.43 99.36 6.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.095 . . . . 62.399999999999999 110.395 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.495 ' HB2' ' CZ3' ' A' ' 4' ' ' TRP . 0.8 OUTLIER -96.21 -62.26 1.31 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 73.340000000000003 111.01 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -114.46 46.49 1.37 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 74.329999999999998 109.281 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 62.39 33.08 85.15 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.499 1.124 . . . . 61.399999999999999 110.985 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.581 HG13 ' CE1' ' A' ' 11' ' ' TYR . 0.1 OUTLIER -136.27 132.74 49.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.495 0.762 . . . . 73.200000000000003 109.317 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.476 ' CG2' ' HG2' ' A' ' 3' ' ' LYS . 8.6 m -89.39 107.39 19.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.434 1.084 . . . . 74.349999999999994 110.379 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.799 ' CD2' ' CZ2' ' A' ' 4' ' ' TRP . 6.6 m-85 -81.87 -81.32 0.14 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.417 1.073 . . . . 74.420000000000002 111.007 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.47 ' HB2' ' CG ' ' A' ' 3' ' ' LYS . 1.1 tm-20 . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 75.400000000000006 110.327 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.647 ' CD1' ' N ' ' A' ' 23' ' ' ALA . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.466 0.174 . . . . 72.109999999999999 111.005 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.647 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -40.32 -51.45 2.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 75.25 109.33 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.54 -59.2 4.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 73.329999999999998 109.304 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 24.0 mtp180 -43.83 -42.09 5.44 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 75.400000000000006 110.285 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.3 mm -55.43 -61.37 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 72.25 109.308 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -44.82 -46.78 10.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 73.150000000000006 109.262 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -56.19 -63.06 1.31 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 73.209999999999994 110.296 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -44.23 -56.93 3.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 74.019999999999996 109.311 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 2.0 mtm . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 75.420000000000002 110.996 179.954 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.315 -0.624 . . . . 74.099999999999994 109.315 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.525 ' CZ3' ' HB2' ' A' ' 6' ' ' TYR . 9.3 p-90 -120.85 -172.91 2.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 72.200000000000003 107.978 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.462 ' CG2' ' HA2' ' A' ' 8' ' ' GLY . 89.6 m -148.58 112.64 5.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 73.329999999999998 110.382 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.525 ' HB2' ' CZ3' ' A' ' 4' ' ' TRP . 7.2 t80 -84.66 -56.61 3.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 75.109999999999999 110.967 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -133.62 13.96 4.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.561 1.163 . . . . 73.140000000000001 109.328 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.462 ' HA2' ' CG2' ' A' ' 5' ' ' THR . . . 99.67 46.61 1.92 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.518 1.136 . . . . 75.140000000000001 110.998 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.406 ' O ' ' HB ' ' A' ' 10' ' ' THR . 2.7 mp -112.99 -19.62 6.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.474 0.749 . . . . 74.510000000000005 109.268 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.52 ' O ' ' CG2' ' A' ' 10' ' ' THR . 1.5 m 65.15 54.97 1.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 73.219999999999999 110.416 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.451 ' CB ' ' CE2' ' A' ' 4' ' ' TRP . 8.3 m-85 -57.85 135.85 56.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 74.430000000000007 110.989 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 19.6 pt-20 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 71.310000000000002 110.312 -179.987 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.552 ' CE2' HG13 ' A' ' 26' ' ' ILE . 14.4 p90 . . . . . 0 N--CA 1.453 -0.277 0 CA-C-O 120.455 0.169 . . . . 74.129999999999995 110.945 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.403 ' N ' ' CG ' ' A' ' 22' ' ' TYR . . . -40.59 -51.57 2.95 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.48 1.112 . . . . 54.350000000000001 109.274 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.8 ptmt -47.62 -44.4 26.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.459 1.099 . . . . 75.519999999999996 109.306 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.479 ' N ' ' O ' ' A' ' 22' ' ' TYR . 1.9 mmp_? -67.49 -39.59 85.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 73.030000000000001 110.331 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.552 HG13 ' CE2' ' A' ' 22' ' ' TYR . 18.8 mm -51.13 -61.0 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.537 1.148 . . . . 74.450000000000003 109.315 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -48.09 -53.88 15.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 73.420000000000002 109.288 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -45.65 -61.22 1.8 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.103 . . . . 73.040000000000006 110.288 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -50.13 -61.56 2.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 71.549999999999997 109.326 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.1 mtt . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 72.329999999999998 110.961 179.979 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.318 -0.623 . . . . 71.5 109.318 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.767 ' CH2' ' CG ' ' A' ' 11' ' ' TYR . 11.0 p-90 -154.39 -175.04 5.21 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.017 -1.105 . . . . 74.25 108.017 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.2 m -151.13 105.05 3.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 74.150000000000006 110.356 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 39.8 t80 -98.43 -63.17 1.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 72.109999999999999 110.965 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -112.09 47.89 1.02 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.5 1.125 . . . . 75.109999999999999 109.292 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 61.58 32.84 82.81 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.481 1.113 . . . . 54.109999999999999 110.956 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.589 HG13 ' CE1' ' A' ' 11' ' ' TYR . 0.1 OUTLIER -129.33 126.05 63.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.468 0.746 . . . . 75.349999999999994 109.313 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.419 ' N ' HD12 ' A' ' 9' ' ' ILE . 1.1 m -82.9 117.46 22.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 71.230000000000004 110.392 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.767 ' CG ' ' CH2' ' A' ' 4' ' ' TRP . 24.2 m-85 -97.12 156.11 16.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 74.219999999999999 111.025 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 75.540000000000006 110.318 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.61 ' CG ' ' N ' ' A' ' 23' ' ' ALA . 1.2 p90 . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.466 0.174 . . . . 75.019999999999996 110.979 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.61 ' N ' ' CG ' ' A' ' 22' ' ' TYR . . . -39.47 -29.47 0.05 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 64.319999999999993 109.279 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.461 ' N ' ' C ' ' A' ' 22' ' ' TYR . 3.2 ttmt -75.17 -53.93 7.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 75.519999999999996 109.29 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.533 ' HG3' ' N ' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -58.08 -23.47 54.78 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 73.040000000000006 110.307 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.568 HG13 ' CE1' ' A' ' 22' ' ' TYR . 27.8 mm -58.3 -57.4 10.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.556 1.16 . . . . 74.120000000000005 109.285 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.03 -53.64 53.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.163 . . . . 63.140000000000001 109.323 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -45.95 -60.24 2.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.153 . . . . 71.150000000000006 110.295 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.513 ' CB ' ' NH2' ' A' ' 25' ' ' ARG . . . -41.04 -63.52 0.66 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 71.099999999999994 109.309 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 74.329999999999998 111.064 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.427 ' CE ' HG21 ' A' ' 10' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.309 -0.626 . . . . 73.549999999999997 109.309 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.666 ' CZ2' ' CD2' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -111.78 -10.84 14.01 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.558 1.161 . . . . 64.349999999999994 107.995 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 50.7 m 60.69 54.98 3.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 74.510000000000005 110.398 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.598 ' HB2' ' CE3' ' A' ' 4' ' ' TRP . 1.0 OUTLIER -82.83 151.46 26.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 71.109999999999999 111.008 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 49.46 25.6 1.4 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 75.129999999999995 109.265 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 68.51 37.46 85.41 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.485 1.116 . . . . 64.329999999999998 110.993 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.618 HD11 ' CE1' ' A' ' 11' ' ' TYR . 0.7 OUTLIER -148.3 141.15 18.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.505 0.768 . . . . 71.340000000000003 109.265 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.427 HG21 ' CE ' ' A' ' 3' ' ' LYS . 1.0 OUTLIER -81.2 119.81 24.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 73.439999999999998 110.359 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.666 ' CD2' ' CZ2' ' A' ' 4' ' ' TRP . 3.6 m-85 -87.65 160.63 18.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 74.25 110.972 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 75.549999999999997 110.292 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.568 ' CD1' ' N ' ' A' ' 23' ' ' ALA . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.263 0 CA-C-O 120.54 0.21 . . . . 74.510000000000005 111.012 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.568 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -52.35 -50.13 62.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 65.209999999999994 109.301 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -41.48 -48.22 3.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 75.430000000000007 109.253 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.4 mmp_? -67.86 -43.38 79.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 75.519999999999996 110.244 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 10.4 mm -46.61 -58.51 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 75.239999999999995 109.3 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -47.47 -54.29 11.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.46 1.1 . . . . 75.150000000000006 109.271 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -48.16 -61.41 2.0 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 75.349999999999994 110.274 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -45.38 -63.97 0.83 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.095 . . . . 61.140000000000001 109.318 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 73.420000000000002 110.948 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.446 ' N ' ' C ' ' A' ' 14' ' ' GLY . 3.5 ttp85 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.303 -0.258 . . . . 74.120000000000005 110.303 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 90.91 118.38 2.09 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.555 1.159 . . . . 54.009999999999998 111.032 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.09 145.32 17.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 0.787 . . . . 75.420000000000002 109.322 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.659 ' CZ2' ' CD2' ' A' ' 11' ' ' TYR . 1.5 p-90 -107.98 -174.23 2.47 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.548 1.155 . . . . 75.109999999999999 107.974 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.6 p -138.25 107.81 6.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 72.310000000000002 110.404 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.575 ' HB2' ' CZ3' ' A' ' 4' ' ' TRP . 7.8 t80 -92.96 -62.81 1.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 74.329999999999998 110.985 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 32.0 m-20 -131.12 55.39 1.85 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 74.010000000000005 109.275 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 67.34 23.52 73.39 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.449 1.093 . . . . 75.129999999999995 111.014 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.514 HG13 ' CE1' ' A' ' 11' ' ' TYR . 0.1 OUTLIER -125.69 122.11 61.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.483 0.754 . . . . 74.219999999999999 109.325 179.941 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -78.19 112.24 14.96 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 74.400000000000006 110.403 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.659 ' CD2' ' CZ2' ' A' ' 4' ' ' TRP . 5.7 m-85 -87.15 156.16 19.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 75.510000000000005 110.976 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -125.95 165.57 18.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.567 1.167 . . . . 62.399999999999999 110.311 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 105.67 62.93 0.63 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.452 1.095 . . . . 74.340000000000003 111.021 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.446 ' C ' ' N ' ' A' ' 1' ' ' ARG . . . 55.78 -101.33 0.12 Allowed Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.975 -0.85 . . . . 74.129999999999995 110.975 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -140.7 167.0 25.73 Favored Glycine 0 CA--C 1.531 1.044 0 N-CA-C 110.987 -0.845 . . . . 71.340000000000003 110.987 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -106.29 115.52 4.79 Favored Glycine 0 CA--C 1.53 1.031 0 N-CA-C 110.973 -0.851 . . . . 74.200000000000003 110.973 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.03 164.03 13.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 0.744 . . . . 75.150000000000006 110.056 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -97.17 -39.05 9.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 74.420000000000002 109.31 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.65 -32.18 73.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 65.200000000000003 109.293 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 23' ' ' ALA . 0.6 OUTLIER -58.97 -15.51 13.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 71.030000000000001 110.326 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 20' ' ' GLU . . . -39.94 -50.95 2.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 74.099999999999994 109.303 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.602 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 0.2 OUTLIER -69.33 -35.7 76.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.103 . . . . 74.400000000000006 111.039 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.463 ' N ' ' CG ' ' A' ' 22' ' ' TYR . . . -58.29 -61.2 2.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 74.340000000000003 109.278 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.449 ' O ' ' CB ' ' A' ' 27' ' ' ALA . 1.0 OUTLIER -40.21 -42.53 1.5 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 75.439999999999998 109.273 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 34.1 mtp85 -66.16 -53.25 39.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 73.310000000000002 110.267 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 6.2 mt -52.68 -24.38 6.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 74.319999999999993 109.279 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.449 ' CB ' ' O ' ' A' ' 24' ' ' LYS . . . -40.41 -35.93 0.49 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 72.340000000000003 109.299 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -74.82 -59.55 2.68 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 72.230000000000004 110.296 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -40.53 -45.59 2.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 74.239999999999995 109.303 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.2 mtm -47.75 -55.26 9.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 73.530000000000001 110.982 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.4 148.9 35.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 72.519999999999996 109.311 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.5 tttt -165.06 160.17 18.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 72.450000000000003 109.272 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.508 1.13 . . . . 52.100000000000001 110.992 -179.987 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 22.3 mmt-85 . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 110.312 -0.255 . . . . 72.239999999999995 110.312 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 172.69 97.28 0.11 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.487 1.117 . . . . 71.299999999999997 110.972 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.9 158.61 3.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 0.771 . . . . 73.230000000000004 109.316 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.576 ' CE3' ' HB2' ' A' ' 6' ' ' TYR . 7.8 p-90 -124.06 105.67 9.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 75.129999999999995 108.01 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 23.8 m -67.55 94.43 0.41 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.135 . . . . 72.109999999999999 110.374 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.576 ' HB2' ' CE3' ' A' ' 4' ' ' TRP . 0.3 OUTLIER -111.52 134.18 53.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 74.230000000000004 110.987 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.3 t30 68.83 24.99 6.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 73.329999999999998 109.353 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 70.42 32.29 68.19 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.476 1.11 . . . . 75.109999999999999 110.989 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.614 ' CD1' ' CE1' ' A' ' 11' ' ' TYR . 0.7 OUTLIER -146.62 140.5 20.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.474 0.749 . . . . 63.049999999999997 109.335 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -94.55 137.41 33.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 74.129999999999995 110.409 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.614 ' CE1' ' CD1' ' A' ' 9' ' ' ILE . 3.7 m-85 -100.48 -175.43 2.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 73.349999999999994 111.019 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -114.39 -47.95 2.9 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.151 . . . . 73.510000000000005 110.325 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 136.34 58.79 0.06 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.43 1.081 . . . . 75.099999999999994 110.984 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 39.94 -149.95 0.12 Allowed Glycine 0 CA--C 1.53 0.988 0 N-CA-C 111.033 -0.827 . . . . 73.120000000000005 111.033 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -91.36 53.7 3.14 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.972 -0.851 . . . . 61.340000000000003 110.972 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 154.62 -118.49 0.86 Allowed Glycine 0 CA--C 1.529 0.962 0 N-CA-C 111.008 -0.837 . . . . 73.150000000000006 111.008 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.0 t -152.67 164.29 38.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 0.742 . . . . 74.400000000000006 110.021 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -102.93 -37.28 7.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 74.430000000000007 109.299 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.413 ' C ' ' N ' ' A' ' 21' ' ' ALA . . . -67.63 -20.84 65.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.091 . . . . 75.25 109.3 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -43.21 -27.16 0.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 74.439999999999998 110.304 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.413 ' N ' ' C ' ' A' ' 19' ' ' ALA . . . -40.78 -52.27 3.01 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.503 1.127 . . . . 71.510000000000005 109.275 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.642 ' CD1' ' N ' ' A' ' 23' ' ' ALA . 0.5 OUTLIER -120.56 -39.74 2.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 71.340000000000003 110.97 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.642 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -49.21 -45.47 44.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 61.420000000000002 109.277 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.413 ' HD2' ' NH2' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -53.35 -44.88 68.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.567 1.167 . . . . 73.319999999999993 109.307 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.413 ' NH2' ' HD2' ' A' ' 24' ' ' LYS . 1.1 mmp_? -65.44 -35.95 82.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 73.510000000000005 110.302 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.7 mm -56.79 -55.12 21.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 73.430000000000007 109.309 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -46.06 -50.39 15.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 74.400000000000006 109.26 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -51.73 -61.06 2.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.1 . . . . 74.420000000000002 110.349 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -45.86 -58.66 3.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 73.340000000000003 109.294 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -42.57 -54.28 4.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 75.0 110.976 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 53.6 42.24 31.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 72.219999999999999 109.308 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.0 tttp 69.29 25.09 5.69 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.459 1.099 . . . . 75.329999999999998 109.261 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.521 1.138 . . . . 43.340000000000003 111.018 179.983 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.276 -0.268 . . . . 73.420000000000002 110.276 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 62.43 173.97 1.99 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.495 1.122 . . . . 65.010000000000005 111.014 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.16 147.58 24.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 0.785 . . . . 75.239999999999995 109.289 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.583 ' CZ3' ' HB2' ' A' ' 6' ' ' TYR . 1.4 p-90 -113.68 -174.55 2.49 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.974 -1.121 . . . . 73.319999999999993 107.974 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.6 p -135.6 107.39 7.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 53.049999999999997 110.407 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.583 ' HB2' ' CZ3' ' A' ' 4' ' ' TRP . 2.5 t80 -95.24 -55.34 3.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 74.099999999999994 110.972 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -104.22 -70.05 0.78 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 75.310000000000002 109.316 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -174.24 33.01 0.1 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.538 1.149 . . . . 75.129999999999995 111.021 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.518 ' O ' ' CD1' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -143.62 120.43 5.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.541 0.789 . . . . 74.299999999999997 109.31 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.3 m -44.73 94.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 71.5 110.413 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.518 ' CD1' ' O ' ' A' ' 9' ' ' ILE . 5.4 m-30 -78.71 141.03 38.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 74.420000000000002 110.989 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.01 -32.6 13.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 72.549999999999997 110.308 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 80.69 119.27 0.41 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.444 1.09 . . . . 72.040000000000006 111.025 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -88.61 -105.32 1.01 Allowed Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.038 -0.825 . . . . 74.299999999999997 111.038 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -113.57 84.38 0.36 Allowed Glycine 0 CA--C 1.53 0.973 0 N-CA-C 110.996 -0.842 . . . . 63.130000000000003 110.996 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.73 -165.13 0.99 Allowed Glycine 0 CA--C 1.531 1.032 0 N-CA-C 111.003 -0.839 . . . . 71.430000000000007 111.003 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -93.37 136.04 34.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 0.792 . . . . 74.510000000000005 109.972 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.463 ' O ' ' CB ' ' A' ' 21' ' ' ALA . . . -48.23 -56.74 7.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 73.5 109.297 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.41 ' O ' ' N ' ' A' ' 21' ' ' ALA . . . -58.45 -56.86 16.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 73.540000000000006 109.307 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -40.13 -29.64 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 72.409999999999997 110.288 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.463 ' CB ' ' O ' ' A' ' 18' ' ' ALA . . . -45.21 -63.09 1.01 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 64.510000000000005 109.337 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.653 ' CD1' ' N ' ' A' ' 23' ' ' ALA . 0.6 OUTLIER -91.1 -40.01 11.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.107 . . . . 75.409999999999997 110.97 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.653 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -46.71 -46.21 20.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 73.340000000000003 109.29 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.0 -45.52 82.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 72.349999999999994 109.333 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 40.4 mtp180 -61.59 -35.79 78.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.117 . . . . 63.350000000000001 110.284 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.2 mm -57.22 -54.99 23.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 74.450000000000003 109.287 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -45.99 -49.34 16.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 64.439999999999998 109.298 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -54.35 -60.63 3.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 74.430000000000007 110.329 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -46.24 -59.33 2.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 73.150000000000006 109.285 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 19.2 mtm -38.35 -53.59 1.49 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 74.530000000000001 111.049 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -41.99 -61.59 1.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 64.040000000000006 109.328 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.5 tppp? -48.46 -63.38 1.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 72.400000000000006 109.324 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.511 1.132 . . . . 72.329999999999998 110.959 179.937 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 33.0 ptt-85 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.271 -0.27 . . . . 71.430000000000007 110.271 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 172.46 135.17 1.92 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.516 1.135 . . . . 74.129999999999995 110.984 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.476 ' HB2' ' CG2' ' A' ' 10' ' ' THR . 0.0 OUTLIER -56.94 151.69 14.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 0.779 . . . . 72.420000000000002 109.272 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.514 ' CZ3' ' HB2' ' A' ' 6' ' ' TYR . 3.0 p-90 -129.53 152.74 48.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 74.5 108.0 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 32.8 m -112.84 100.8 8.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 72.439999999999998 110.375 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.514 ' HB2' ' CZ3' ' A' ' 4' ' ' TRP . 3.7 t80 -102.3 -53.41 2.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.125 . . . . 73.299999999999997 111.037 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.477 ' HB3' ' CG2' ' A' ' 9' ' ' ILE . 18.7 t-20 -103.82 27.91 7.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 72.409999999999997 109.299 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 69.8 14.5 70.33 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.455 1.097 . . . . 64.519999999999996 110.986 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.607 ' O ' ' CE1' ' A' ' 11' ' ' TYR . 0.1 OUTLIER -127.82 122.02 57.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.566 0.804 . . . . 75.239999999999995 109.331 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.476 ' CG2' ' HB2' ' A' ' 3' ' ' LYS . 17.4 m -72.23 116.29 12.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 65.25 110.428 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.607 ' CE1' ' O ' ' A' ' 9' ' ' ILE . 3.6 m-85 -88.31 -63.88 1.23 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 73.310000000000002 111.017 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.422 ' CB ' ' HA ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -68.95 175.59 3.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 72.409999999999997 110.28 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 84.35 -123.43 6.23 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.517 1.136 . . . . 75.340000000000003 111.024 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 69.02 176.95 13.68 Favored Glycine 0 CA--C 1.529 0.955 0 N-CA-C 111.043 -0.823 . . . . 74.420000000000002 111.043 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -163.95 -71.23 0.02 OUTLIER Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.963 -0.855 . . . . 44.549999999999997 110.963 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.475 ' O ' ' N ' ' A' ' 18' ' ' ALA . . . -160.74 128.68 1.99 Allowed Glycine 0 CA--C 1.53 1.024 0 N-CA-C 111.031 -0.828 . . . . 61.420000000000002 111.031 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.51 ' CB ' ' HB2' ' A' ' 20' ' ' GLU . 26.0 m -63.67 75.01 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 0.792 . . . . 75.25 110.018 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.475 ' N ' ' O ' ' A' ' 16' ' ' GLY . . . -59.71 -47.16 86.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.411 1.07 . . . . 75.219999999999999 109.277 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.466 ' O ' ' CD2' ' A' ' 22' ' ' TYR . . . -117.25 -7.88 11.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 74.120000000000005 109.29 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.51 ' HB2' ' CB ' ' A' ' 17' ' ' SER . 0.0 OUTLIER -66.63 -21.11 66.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 73.019999999999996 110.335 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -48.05 -41.35 25.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 70.319999999999993 109.308 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.65 ' CD1' ' N ' ' A' ' 23' ' ' ALA . 0.6 OUTLIER -97.85 -39.46 9.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 73.200000000000003 110.955 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.65 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -46.92 -39.84 13.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.122 . . . . 73.510000000000005 109.28 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.42 ' HG3' ' N ' ' A' ' 25' ' ' ARG . 1.1 ptpt -59.24 -48.73 80.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 64.209999999999994 109.292 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.42 ' N ' ' HG3' ' A' ' 24' ' ' LYS . 1.0 OUTLIER -60.64 -32.7 71.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 75.230000000000004 110.289 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.9 mm -60.59 -58.22 8.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 54.520000000000003 109.291 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -48.07 -48.74 33.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 63.240000000000002 109.33 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -53.28 -60.02 3.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 74.140000000000001 110.328 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -40.58 -63.17 0.67 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.11 . . . . 72.450000000000003 109.306 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -41.05 -59.66 1.41 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 70.219999999999999 110.995 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 49.38 30.82 3.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 72.120000000000005 109.309 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -87.73 149.82 23.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 74.450000000000003 109.292 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.512 1.133 . . . . 73.219999999999999 111.0 -179.988 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.321 -0.251 . . . . 74.109999999999999 110.321 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 152.19 81.26 0.03 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.474 1.109 . . . . 74.040000000000006 110.952 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.467 ' HG3' ' CG2' ' A' ' 10' ' ' THR . 0.1 OUTLIER -54.98 139.85 39.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 0.766 . . . . 74.140000000000001 109.32 179.943 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.517 ' CZ3' ' HB2' ' A' ' 6' ' ' TYR . 1.7 p-90 -115.22 -174.46 2.51 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.985 -1.117 . . . . 74.239999999999995 107.985 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 32.4 m -146.71 105.01 3.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 74.340000000000003 110.394 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.517 ' HB2' ' CZ3' ' A' ' 4' ' ' TRP . 0.7 OUTLIER -92.64 -63.68 1.2 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 74.430000000000007 110.982 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -77.36 -75.23 0.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 73.239999999999995 109.29 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.47 ' O ' ' CG2' ' A' ' 9' ' ' ILE . . . -177.34 34.72 0.08 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.483 1.115 . . . . 75.129999999999995 111.045 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.614 ' O ' ' CE1' ' A' ' 11' ' ' TYR . 2.3 pp -156.0 141.49 9.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.479 0.752 . . . . 73.519999999999996 109.299 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.467 ' CG2' ' HG3' ' A' ' 3' ' ' LYS . 2.3 m -78.4 133.65 37.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 75.400000000000006 110.35 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.614 ' CE1' ' O ' ' A' ' 9' ' ' ILE . 1.8 m-85 -97.56 -63.65 1.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 74.340000000000003 110.977 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -68.82 169.18 11.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 71.319999999999993 110.279 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 118.01 -170.8 13.76 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.526 1.141 . . . . 74.310000000000002 110.992 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -140.96 175.5 22.13 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 110.979 -0.848 . . . . 75.420000000000002 110.979 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 98.87 -133.39 11.28 Favored Glycine 0 CA--C 1.53 0.978 0 N-CA-C 111.001 -0.84 . . . . 64.120000000000005 111.001 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -105.31 -146.72 14.93 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.021 -0.831 . . . . 63.350000000000001 111.021 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.442 ' O ' ' CG ' ' A' ' 20' ' ' GLU . 0.2 OUTLIER -85.3 171.17 12.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 0.763 . . . . 71.430000000000007 109.985 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.445 ' O ' ' CB ' ' A' ' 21' ' ' ALA . . . -40.18 -30.01 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 71.109999999999999 109.313 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.436 ' N ' ' C ' ' A' ' 17' ' ' SER . . . -53.92 -51.85 62.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 63.5 109.324 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.442 ' CG ' ' O ' ' A' ' 17' ' ' SER . 0.0 OUTLIER -40.01 -29.21 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.135 . . . . 73.239999999999995 110.33 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.445 ' CB ' ' O ' ' A' ' 18' ' ' ALA . . . -40.6 -61.05 1.0 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.553 1.158 . . . . 74.540000000000006 109.281 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.655 ' CD1' ' N ' ' A' ' 23' ' ' ALA . 0.6 OUTLIER -74.34 -43.14 57.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.16 . . . . 75.340000000000003 111.001 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.655 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -40.05 -29.67 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 73.030000000000001 109.312 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.458 ' N ' ' C ' ' A' ' 22' ' ' TYR . 4.5 mttt -68.93 -55.7 10.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 72.510000000000005 109.302 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.49 ' HG3' ' N ' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -53.05 -27.96 22.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.107 . . . . 73.230000000000004 110.33 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.49 ' N ' ' HG3' ' A' ' 25' ' ' ARG . 5.3 mm -64.81 -62.61 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.422 1.076 . . . . 74.430000000000007 109.292 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -43.72 -48.75 7.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 72.439999999999998 109.31 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -51.16 -60.11 3.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 62.049999999999997 110.347 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -41.36 -59.5 1.54 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 73.040000000000006 109.302 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -46.21 -55.46 7.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 75.409999999999997 110.996 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.51 113.2 7.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 65.430000000000007 109.327 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.92 170.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 74.140000000000001 109.277 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.447 1.092 . . . . 75.299999999999997 111.007 -179.998 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.295 -0.261 . . . . 74.230000000000004 110.295 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 154.23 -74.47 0.24 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.511 1.132 . . . . 53.530000000000001 110.968 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.494 ' CG ' ' O ' ' A' ' 12' ' ' GLU . 0.0 OUTLIER -70.05 150.2 46.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 0.759 . . . . 73.140000000000001 109.313 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.507 ' CZ3' ' HB2' ' A' ' 6' ' ' TYR . 10.8 p-90 -126.8 147.94 49.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 75.319999999999993 108.006 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.2 p -115.71 103.57 10.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 74.349999999999994 110.38 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.507 ' HB2' ' CZ3' ' A' ' 4' ' ' TRP . 2.5 t80 -92.94 -41.84 9.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 75.030000000000001 111.001 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -101.53 -77.78 0.54 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 70.409999999999997 109.299 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.522 ' O ' ' CG2' ' A' ' 9' ' ' ILE . . . -169.23 28.31 0.14 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.514 1.134 . . . . 55.399999999999999 110.991 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.614 ' O ' ' CE1' ' A' ' 11' ' ' TYR . 2.3 pp -158.83 146.56 7.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.511 0.771 . . . . 71.319999999999993 109.266 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.474 ' CG2' ' HB3' ' A' ' 3' ' ' LYS . 0.7 OUTLIER -80.82 130.08 34.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.444 1.09 . . . . 75.510000000000005 110.427 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.614 ' CE1' ' O ' ' A' ' 9' ' ' ILE . 1.6 m-30 -94.53 -64.06 1.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 74.040000000000006 110.994 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.494 ' O ' ' CG ' ' A' ' 3' ' ' LYS . 8.5 pt-20 -84.45 165.18 18.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 74.430000000000007 110.301 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 147.56 -173.12 27.77 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.468 1.105 . . . . 63.020000000000003 111.006 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -81.47 150.08 29.58 Favored Glycine 0 CA--C 1.531 1.059 0 N-CA-C 111.017 -0.833 . . . . 72.420000000000002 111.017 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -168.78 -72.28 0.03 OUTLIER Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.023 -0.831 . . . . 72.549999999999997 111.023 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -42.28 158.45 0.06 OUTLIER Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.997 -0.841 . . . . 63.340000000000003 110.997 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 34.2 m -62.81 153.06 34.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 0.785 . . . . 72.430000000000007 109.988 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.59 -30.0 68.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 52.020000000000003 109.266 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.78 -23.27 42.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 71.530000000000001 109.306 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -45.0 -27.39 0.54 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 74.109999999999999 110.317 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -49.68 -71.22 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 73.420000000000002 109.299 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.62 ' CD1' ' N ' ' A' ' 23' ' ' ALA . 0.5 OUTLIER -67.4 -42.86 82.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 75.209999999999994 110.978 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.62 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -43.86 -43.16 6.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 72.030000000000001 109.293 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.14 -44.98 96.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 74.5 109.256 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.412 ' N ' ' O ' ' A' ' 22' ' ' TYR . 7.1 mmm180 -58.73 -40.13 82.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.158 . . . . 75.209999999999994 110.283 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.7 mm -54.62 -63.46 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 71.129999999999995 109.266 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -44.25 -49.04 9.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 73.209999999999994 109.308 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -51.81 -59.89 3.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 72.040000000000006 110.29 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -47.92 -59.12 3.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.428 1.08 . . . . 75.329999999999998 109.27 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 41.9 mtt -38.09 -54.75 1.33 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 71.409999999999997 110.988 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.45 90.51 0.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 71.540000000000006 109.268 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.33 -65.11 0.82 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 74.120000000000005 109.315 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.431 1.082 . . . . 75.030000000000001 111.005 -179.979 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.281 -0.266 . . . . 63.439999999999998 110.281 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -159.51 133.92 3.53 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.482 1.114 . . . . 61.229999999999997 110.991 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.5 mttt -62.93 148.64 46.84 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 0.771 . . . . 74.430000000000007 109.285 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.575 ' CZ3' ' HB2' ' A' ' 6' ' ' TYR . 1.6 p-90 -110.24 -174.44 2.49 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.004 -1.11 . . . . 75.109999999999999 108.004 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 37.1 m -134.73 108.14 7.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 73.400000000000006 110.447 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.575 ' HB2' ' CZ3' ' A' ' 4' ' ' TRP . 2.5 t80 -95.74 -62.39 1.3 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.56 1.162 . . . . 73.219999999999999 110.971 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -107.15 40.86 1.58 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.089 . . . . 71.409999999999997 109.287 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.411 ' C ' ' CG2' ' A' ' 9' ' ' ILE . . . 66.55 37.38 92.54 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.467 1.104 . . . . 61.149999999999999 111.002 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.589 HD13 ' CE1' ' A' ' 11' ' ' TYR . 0.9 OUTLIER -151.44 139.36 14.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.524 0.779 . . . . 74.400000000000006 109.296 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.37 109.63 5.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.15 . . . . 71.239999999999995 110.388 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.589 ' CE1' HD13 ' A' ' 9' ' ' ILE . 3.0 m-30 -80.6 152.41 28.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 74.439999999999998 111.019 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -97.57 111.57 23.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 62.240000000000002 110.306 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -61.34 132.39 47.99 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.487 1.117 . . . . 63.119999999999997 111.039 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -98.05 157.76 20.61 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.0 -0.84 . . . . 75.340000000000003 111.0 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 107.17 -62.22 0.3 Allowed Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.025 -0.83 . . . . 61.439999999999998 111.025 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 52.73 79.55 0.08 OUTLIER Glycine 0 CA--C 1.53 0.971 0 N-CA-C 111.012 -0.835 . . . . 73.010000000000005 111.012 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -174.07 119.24 0.26 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 0.741 . . . . 73.420000000000002 110.025 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -43.46 -57.3 3.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 73.409999999999997 109.325 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -42.75 -44.22 4.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.443 1.089 . . . . 71.420000000000002 109.291 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.49 53.75 1.61 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 74.239999999999995 110.272 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -133.27 -55.6 0.91 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 75.209999999999994 109.271 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.648 ' CD1' ' N ' ' A' ' 23' ' ' ALA . 0.6 OUTLIER -95.55 -39.67 9.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 71.129999999999995 111.014 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.648 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -54.44 -50.29 68.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 75.150000000000006 109.322 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -50.27 -31.85 15.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 74.230000000000004 109.26 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 13.7 mmm180 -83.76 -25.13 30.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 73.409999999999997 110.323 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.415 ' N ' ' O ' ' A' ' 23' ' ' ALA . 6.9 mm -64.09 -58.31 7.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 65.340000000000003 109.268 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -48.25 -49.83 31.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 71.530000000000001 109.305 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -48.19 -60.7 2.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 73.209999999999994 110.298 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -47.31 -60.04 2.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 72.109999999999999 109.304 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.406 ' O ' ' N ' ' A' ' 33' ' ' GLY . 8.6 mtt -39.24 -59.85 0.98 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 75.439999999999998 111.025 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -40.82 135.36 1.69 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 74.420000000000002 109.296 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.1 mmtm 65.98 24.99 11.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 74.400000000000006 109.274 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 30' ' ' MET . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.535 1.147 . . . . 71.540000000000006 110.994 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.311 -0.255 . . . . 74.230000000000004 110.311 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -61.02 -144.89 0.01 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.47 1.107 . . . . 73.140000000000001 110.994 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.17 147.6 16.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 0.772 . . . . 74.439999999999998 109.275 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.579 ' CZ3' ' HB2' ' A' ' 6' ' ' TYR . 1.7 p-90 -117.51 -174.62 2.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 71.219999999999999 107.979 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.4 p -134.95 108.45 7.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 74.0 110.399 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.579 ' HB2' ' CZ3' ' A' ' 4' ' ' TRP . 2.7 t80 -95.61 -62.8 1.23 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 74.200000000000003 111.0 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.405 ' ND2' ' CD2' ' A' ' 6' ' ' TYR . 6.1 m-80 -111.67 44.01 1.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 72.019999999999996 109.29 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 66.91 33.99 85.73 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.537 1.148 . . . . 63.210000000000001 111.02 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.593 HD13 ' CE1' ' A' ' 11' ' ' TYR . 0.7 OUTLIER -146.63 141.4 20.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.508 0.769 . . . . 72.409999999999997 109.25 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -77.13 116.01 17.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 73.420000000000002 110.419 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.593 ' CE1' HD13 ' A' ' 9' ' ' ILE . 3.0 m-85 -85.48 157.43 20.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 65.209999999999994 111.009 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -95.74 -24.22 16.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 61.219999999999999 110.296 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 126.88 -66.45 0.56 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.53 1.144 . . . . 64.530000000000001 111.021 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 109.72 60.66 0.51 Allowed Glycine 0 CA--C 1.531 1.047 0 N-CA-C 110.996 -0.842 . . . . 75.140000000000001 110.996 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 70.87 -79.39 0.48 Allowed Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.004 -0.838 . . . . 63.310000000000002 111.004 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 164.8 -72.97 0.18 Allowed Glycine 0 CA--C 1.531 1.036 0 N-CA-C 111.022 -0.831 . . . . 64.540000000000006 111.022 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.19 127.62 32.55 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 0.777 . . . . 61.539999999999999 109.986 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -42.61 -47.47 5.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 74.120000000000005 109.325 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.08 -47.21 85.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.145 . . . . 73.150000000000006 109.283 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -90.13 44.6 1.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 75.400000000000006 110.334 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.91 -49.84 1.72 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 73.109999999999999 109.314 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.652 ' CD1' ' N ' ' A' ' 23' ' ' ALA . 0.6 OUTLIER -94.39 -39.86 10.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 75.340000000000003 111.003 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.652 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -54.4 -52.02 63.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.558 1.161 . . . . 73.340000000000003 109.291 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.0 ttmm -47.09 -34.86 6.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 73.319999999999993 109.301 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.4 mmm180 -80.36 -30.72 37.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 75.129999999999995 110.334 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.451 ' N ' ' O ' ' A' ' 23' ' ' ALA . 7.3 mm -58.26 -57.82 9.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 74.340000000000003 109.312 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -49.55 -52.32 30.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 71.129999999999995 109.306 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -48.74 -62.72 1.36 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 74.140000000000001 110.332 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -44.07 -62.43 1.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 63.299999999999997 109.292 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.2 mmt -41.47 -55.79 2.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 72.299999999999997 110.988 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -41.13 138.26 1.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 71.510000000000005 109.32 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.7 ttpp -150.84 144.1 24.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 74.019999999999996 109.334 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.535 1.147 . . . . 75.439999999999998 110.981 -179.985 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.328 -0.249 . . . . 74.25 110.328 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.441 ' CA ' HG21 ' A' ' 10' ' ' THR . . . 130.41 157.04 8.85 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.485 1.116 . . . . 71.239999999999995 110.966 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.402 ' HB2' ' O ' ' A' ' 11' ' ' TYR . 5.0 tppt? -102.34 -65.85 0.96 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 0.761 . . . . 72.230000000000004 109.289 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.835 ' CH2' ' CD1' ' A' ' 11' ' ' TYR . 7.6 p-90 -151.56 -174.99 5.01 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.016 -1.105 . . . . 74.209999999999994 108.016 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.411 ' HA ' ' O ' ' A' ' 9' ' ' ILE . 2.5 p -141.6 105.62 4.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 64.140000000000001 110.386 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.4 ' HB2' ' CZ3' ' A' ' 4' ' ' TRP . 21.5 t80 -93.45 -62.29 1.39 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 74.109999999999999 110.98 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.415 ' O ' HG13 ' A' ' 9' ' ' ILE . 5.3 t-20 -123.98 64.81 1.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 73.109999999999999 109.291 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 54.73 36.75 60.01 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.485 1.116 . . . . 72.530000000000001 111.016 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.503 ' O ' ' CD1' ' A' ' 9' ' ' ILE . 1.1 pp -140.06 146.26 25.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.503 0.767 . . . . 74.239999999999995 109.288 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.441 HG21 ' CA ' ' A' ' 2' ' ' GLY . 1.0 OUTLIER -110.51 124.25 51.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 74.219999999999999 110.422 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.835 ' CD1' ' CH2' ' A' ' 4' ' ' TRP . 10.8 m-85 -95.68 163.51 13.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 72.310000000000002 110.977 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -124.99 49.68 1.84 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 72.019999999999996 110.282 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 74.91 -64.28 2.32 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.462 1.101 . . . . 53.420000000000002 111.004 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -73.2 -74.47 0.8 Allowed Glycine 0 CA--C 1.529 0.946 0 N-CA-C 111.009 -0.836 . . . . 65.329999999999998 111.009 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 139.18 137.68 3.55 Favored Glycine 0 CA--C 1.531 1.038 0 N-CA-C 110.994 -0.842 . . . . 62.299999999999997 110.994 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 70.51 161.21 3.61 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 111.008 -0.837 . . . . 74.310000000000002 111.008 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 41.5 t -78.75 141.48 37.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 0.76 . . . . 73.239999999999995 110.004 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.82 -32.29 35.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 75.109999999999999 109.323 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.437 ' O ' ' CE2' ' A' ' 22' ' ' TYR . . . -64.03 -45.03 90.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 70.129999999999995 109.323 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -73.06 -30.34 63.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 73.230000000000004 110.322 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -51.64 -69.79 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 74.400000000000006 109.304 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.647 ' CD1' ' N ' ' A' ' 23' ' ' ALA . 0.4 OUTLIER -58.36 -41.56 84.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 72.340000000000003 110.963 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.647 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -46.7 -38.29 9.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 73.450000000000003 109.303 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.3 tttp -66.43 -48.95 68.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 75.230000000000004 109.278 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 45.5 mtp180 -58.6 -33.6 70.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 75.340000000000003 110.309 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.7 mm -54.06 -57.63 5.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 72.430000000000007 109.282 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -49.61 -47.02 49.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 74.420000000000002 109.298 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 29' ' ' ALA . 3.6 mt-10 -54.63 -59.44 4.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.1 . . . . 73.329999999999998 110.276 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 28' ' ' GLU . . . -40.21 -59.69 1.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 62.420000000000002 109.264 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -44.38 -59.65 2.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 75.140000000000001 110.975 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -45.54 -62.8 1.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 71.120000000000005 109.304 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.4 116.34 20.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.542 1.151 . . . . 74.209999999999994 109.28 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 O-C-N 124.493 1.121 . . . . 62.210000000000001 110.995 179.997 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 6.1 mmt180 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.264 -0.273 . . . . 75.310000000000002 110.264 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 46.13 41.41 11.19 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.438 1.086 . . . . 71.239999999999995 111.035 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.17 146.63 52.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 0.755 . . . . 74.400000000000006 109.317 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.584 ' CZ3' ' HB2' ' A' ' 6' ' ' TYR . 4.1 p-90 -111.78 -173.14 2.18 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.478 1.112 . . . . 74.340000000000003 108.033 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 24.2 m -141.25 110.44 6.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 74.25 110.408 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.584 ' HB2' ' CZ3' ' A' ' 4' ' ' TRP . 6.0 t80 -91.09 -62.75 1.38 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 73.109999999999999 111.028 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -127.08 52.13 1.82 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 63.539999999999999 109.29 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 67.39 27.51 73.54 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.514 1.134 . . . . 72.140000000000001 110.996 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.517 HG13 ' CE1' ' A' ' 11' ' ' TYR . 0.1 OUTLIER -129.62 122.67 55.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.517 0.775 . . . . 74.319999999999993 109.292 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -78.78 112.72 16.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 74.439999999999998 110.409 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.517 ' CE1' HG13 ' A' ' 9' ' ' ILE . 6.0 m-85 -88.02 155.45 19.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 74.019999999999996 111.0 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -115.32 -55.22 2.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 74.340000000000003 110.313 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 38.31 55.58 2.0 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.503 1.127 . . . . 54.520000000000003 111.001 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 37.32 61.94 0.96 Allowed Glycine 0 CA--C 1.531 1.046 0 N-CA-C 110.964 -0.854 . . . . 64.239999999999995 110.964 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 104.31 -119.64 6.35 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 111.002 -0.839 . . . . 73.030000000000001 111.002 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.444 ' C ' ' N ' ' A' ' 18' ' ' ALA . . . 147.17 -170.35 28.05 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.011 -0.836 . . . . 51.530000000000001 111.011 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 19' ' ' ALA . 0.0 OUTLIER -45.63 -21.68 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 0.765 . . . . 71.109999999999999 109.95 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.444 ' N ' ' C ' ' A' ' 16' ' ' GLY . . . -54.37 90.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 74.219999999999999 109.286 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 17' ' ' SER . . . 75.01 33.0 0.76 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 61.539999999999999 109.299 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.417 ' HG3' ' O ' ' A' ' 16' ' ' GLY . 5.7 mt-10 -134.34 -44.74 0.77 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 73.040000000000006 110.314 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -47.22 -66.77 0.35 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.143 . . . . 75.420000000000002 109.367 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.633 ' CD1' ' N ' ' A' ' 23' ' ' ALA . 0.4 OUTLIER -51.17 -42.85 61.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 71.299999999999997 110.944 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.633 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -50.79 -50.98 54.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 71.430000000000007 109.312 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -49.81 -39.8 39.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 72.299999999999997 109.305 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.2 mmm180 -71.84 -36.83 70.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 73.109999999999999 110.312 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.3 mm -53.45 -60.68 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 71.209999999999994 109.298 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -46.02 -52.93 10.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 72.319999999999993 109.293 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -50.1 -62.57 1.5 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 61.0 110.346 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -44.33 -60.01 2.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 61.109999999999999 109.319 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.401 ' O ' ' C ' ' A' ' 31' ' ' ALA . 1.2 mtm -42.54 -54.52 3.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 72.219999999999999 111.028 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 30' ' ' MET . . . -40.43 117.16 0.77 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 73.439999999999998 109.275 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -94.01 -62.8 1.28 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.148 . . . . 74.530000000000001 109.294 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.528 1.142 . . . . 75.450000000000003 110.952 179.995 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 5.9 mtt-85 . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 110.325 -0.25 . . . . 72.129999999999995 110.325 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 151.18 106.93 0.35 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.468 1.105 . . . . 73.450000000000003 111.01 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.479 ' CB ' ' O ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -59.74 160.89 6.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 0.773 . . . . 74.329999999999998 109.312 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.541 ' CE3' ' HB2' ' A' ' 6' ' ' TYR . 3.3 p-90 -136.01 150.2 49.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 73.310000000000002 108.036 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.9 m -111.62 98.01 7.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 74.519999999999996 110.402 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.541 ' HB2' ' CE3' ' A' ' 4' ' ' TRP . 0.6 OUTLIER -107.45 96.95 6.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 74.5 110.984 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.438 ' C ' ' O ' ' A' ' 6' ' ' TYR . 7.6 t-20 36.94 54.98 1.21 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 60.149999999999999 109.308 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -176.13 -121.35 0.66 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.482 1.114 . . . . 74.519999999999996 110.987 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -126.89 -171.82 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 0.761 . . . . 74.310000000000002 109.284 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -65.97 116.94 7.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 74.420000000000002 110.397 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.479 ' O ' ' CB ' ' A' ' 3' ' ' LYS . 4.2 m-30 -98.14 159.99 14.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 74.209999999999994 110.992 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 -105.24 161.75 14.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 74.010000000000005 110.286 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -98.96 -54.55 1.11 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.509 1.13 . . . . 73.019999999999996 110.979 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 107.95 74.06 0.84 Allowed Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.983 -0.847 . . . . 72.239999999999995 110.983 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.88 63.91 4.83 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.992 -0.843 . . . . 51.340000000000003 110.992 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 70.41 -114.11 5.25 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 110.978 -0.849 . . . . 72.129999999999995 110.978 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -120.87 150.73 40.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 0.747 . . . . 71.140000000000001 110.049 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.04 -23.3 61.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 65.349999999999994 109.307 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -82.82 -47.92 11.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 61.109999999999999 109.326 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -44.27 -27.16 0.39 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 74.129999999999995 110.294 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -49.13 -70.15 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 74.120000000000005 109.294 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.653 ' CD1' ' N ' ' A' ' 23' ' ' ALA . 0.6 OUTLIER -75.8 -43.33 46.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 63.420000000000002 110.996 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.653 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -40.06 -29.47 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 65.109999999999999 109.332 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.45 ' N ' ' C ' ' A' ' 22' ' ' TYR . 6.4 tptm -69.51 -59.29 3.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 73.530000000000001 109.305 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.492 ' HG3' ' N ' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -49.85 -28.01 5.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 71.219999999999999 110.274 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.492 ' N ' ' HG3' ' A' ' 25' ' ' ARG . 7.3 mm -62.7 -60.18 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 73.010000000000005 109.309 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -45.05 -49.17 11.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.464 1.103 . . . . 75.450000000000003 109.314 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -49.34 -60.94 2.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 74.200000000000003 110.301 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -48.83 -58.99 3.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 71.340000000000003 109.282 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 4.5 mtm -39.45 -57.72 1.38 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 54.420000000000002 111.041 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -43.76 -60.12 1.94 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 74.049999999999997 109.301 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 48.4 pttt -122.16 107.72 12.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 74.340000000000003 109.323 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.516 1.135 . . . . 53.049999999999997 110.966 179.979 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 5.6 ttm105 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.34 -0.245 . . . . 74.099999999999994 110.34 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 158.65 105.06 0.21 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.51 1.131 . . . . 55.219999999999999 110.989 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.466 ' CD ' HG22 ' A' ' 10' ' ' THR . 0.1 OUTLIER -56.71 160.5 3.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 0.747 . . . . 75.299999999999997 109.339 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.1 p-90 -137.89 171.74 13.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 74.540000000000006 107.986 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 13.9 m -134.95 97.59 3.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.563 1.164 . . . . 70.450000000000003 110.403 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.419 ' O ' ' C ' ' A' ' 7' ' ' ASN . 3.4 t80 -107.14 90.59 3.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.147 . . . . 74.140000000000001 111.002 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.419 ' C ' ' O ' ' A' ' 6' ' ' TYR . 12.0 m-20 38.18 53.41 1.68 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 72.019999999999996 109.267 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -163.62 -110.0 0.24 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.432 1.082 . . . . 75.150000000000006 111.014 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.622 ' O ' ' CD1' ' A' ' 11' ' ' TYR . 1.8 pp -146.97 170.4 4.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.46 0.741 . . . . 73.209999999999994 109.291 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.466 HG22 ' CD ' ' A' ' 3' ' ' LYS . 1.4 m -48.62 93.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 74.329999999999998 110.408 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.622 ' CD1' ' O ' ' A' ' 9' ' ' ILE . 10.0 m-30 -82.86 142.22 31.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 75.319999999999993 111.036 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -95.43 147.24 23.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 70.129999999999995 110.289 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -90.66 -92.33 1.28 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.532 1.145 . . . . 72.319999999999993 110.963 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 159.17 174.6 29.11 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 110.983 -0.847 . . . . 71.540000000000006 110.983 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 39.87 67.06 0.69 Allowed Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.0 -0.84 . . . . 75.200000000000003 111.0 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 170.36 83.6 0.05 OUTLIER Glycine 0 CA--C 1.531 1.05 0 N-CA-C 111.018 -0.833 . . . . 64.420000000000002 111.018 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.72 132.31 34.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 0.785 . . . . 73.219999999999999 109.977 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -42.19 -53.87 3.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 72.310000000000002 109.262 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -49.87 -56.4 10.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 54.229999999999997 109.307 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -82.94 56.86 3.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 73.5 110.306 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -123.78 -59.95 1.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 74.239999999999995 109.296 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.63 ' CD1' ' N ' ' A' ' 23' ' ' ALA . 0.5 OUTLIER -70.2 -42.77 71.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 75.310000000000002 110.996 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.63 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -42.06 -52.56 4.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 72.310000000000002 109.312 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.6 mmtt -46.46 -56.47 5.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 70.319999999999993 109.252 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.3 mmm180 -49.76 -42.8 47.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 73.120000000000005 110.326 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.415 ' N ' HD11 ' A' ' 26' ' ' ILE . 5.4 mm -54.41 -65.54 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 73.329999999999998 109.285 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -44.19 -48.96 9.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 54.329999999999998 109.29 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -51.29 -62.72 1.45 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 74.019999999999996 110.262 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -47.18 -60.37 2.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.095 . . . . 71.329999999999998 109.284 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 13.2 mtm -37.88 -58.0 0.96 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 64.329999999999998 111.025 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -43.38 -62.45 1.06 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.537 1.148 . . . . 75.129999999999995 109.3 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.0 pttp -66.97 142.95 57.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 71.329999999999998 109.304 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.563 1.164 . . . . 74.349999999999994 111.007 179.962 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 13.4 mmt-85 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.269 -0.271 . . . . 74.120000000000005 110.269 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -62.74 96.54 0.16 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.472 1.107 . . . . 64.209999999999994 110.996 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.4 142.96 30.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 0.747 . . . . 75.409999999999997 109.271 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.566 ' CZ3' ' HB2' ' A' ' 6' ' ' TYR . 1.3 p-90 -119.13 -174.25 2.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 73.129999999999995 108.038 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.407 ' HA ' ' O ' ' A' ' 9' ' ' ILE . 53.7 m -139.6 107.24 5.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 75.099999999999994 110.379 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.566 ' HB2' ' CZ3' ' A' ' 4' ' ' TRP . 10.0 t80 -93.54 -46.32 7.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 74.420000000000002 110.987 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -128.59 67.47 1.39 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 73.010000000000005 109.281 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 46.45 45.89 16.93 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.513 1.133 . . . . 75.219999999999999 110.985 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.703 ' CD1' ' CD1' ' A' ' 11' ' ' TYR . 1.2 pp -139.71 166.59 20.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.492 0.76 . . . . 72.450000000000003 109.28 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.416 ' O ' ' CG2' ' A' ' 10' ' ' THR . 1.3 m -101.04 70.85 1.37 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 75.340000000000003 110.366 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.703 ' CD1' ' CD1' ' A' ' 9' ' ' ILE . 4.2 m-30 -63.98 132.62 51.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 74.230000000000004 110.971 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -111.19 -29.61 7.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 64.400000000000006 110.311 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -55.05 -171.78 0.08 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.552 1.158 . . . . 72.450000000000003 111.042 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -116.48 -158.01 11.21 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.013 -0.835 . . . . 55.130000000000003 111.013 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -110.05 110.95 2.99 Favored Glycine 0 CA--C 1.531 1.048 0 N-CA-C 110.996 -0.842 . . . . 63.329999999999998 110.996 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -125.12 168.8 17.13 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 111.002 -0.839 . . . . 74.209999999999994 111.002 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.419 ' O ' ' N ' ' A' ' 20' ' ' GLU . 3.4 m -118.79 135.67 54.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 0.754 . . . . 74.239999999999995 109.968 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 47.39 54.99 8.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 74.109999999999999 109.31 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.46 ' O ' ' N ' ' A' ' 21' ' ' ALA . . . 52.9 27.25 5.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 73.310000000000002 109.314 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' ' 19' ' ' ALA . 4.1 pt-20 33.78 36.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 75.109999999999999 110.343 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.46 ' N ' ' O ' ' A' ' 19' ' ' ALA . . . -86.43 -75.47 0.38 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 63.329999999999998 109.319 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.531 ' CG ' ' N ' ' A' ' 23' ' ' ALA . 17.6 p90 -45.46 -40.78 8.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 72.439999999999998 111.006 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.531 ' N ' ' CG ' ' A' ' 22' ' ' TYR . . . -41.13 -52.07 3.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.581 1.175 . . . . 74.329999999999998 109.284 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.38 -44.44 11.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 74.219999999999999 109.304 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.454 ' N ' ' O ' ' A' ' 22' ' ' TYR . 3.2 mmp_? -72.12 -38.33 69.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 74.439999999999998 110.257 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 47.1 mm -50.24 -52.12 15.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 72.099999999999994 109.27 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -49.76 -52.2 33.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 74.420000000000002 109.313 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -51.85 -61.45 2.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 75.319999999999993 110.323 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -44.44 -60.24 2.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 54.43 109.297 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.6 mtm -39.73 -55.35 1.93 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.585 1.178 . . . . 75.420000000000002 111.015 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -40.87 141.97 0.53 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 65.329999999999998 109.312 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -73.19 101.97 3.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 72.5 109.258 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.484 1.115 . . . . 72.109999999999999 111.025 179.986 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.7 mtt-85 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.32 -0.252 . . . . 74.409999999999997 110.32 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 89.36 -129.88 9.9 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.5 1.125 . . . . 52.049999999999997 110.999 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.14 154.26 41.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 0.772 . . . . 74.120000000000005 109.296 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.557 ' CZ3' ' HB2' ' A' ' 6' ' ' TYR . 2.7 p-90 -130.53 -173.17 2.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 75.530000000000001 108.021 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 56.5 m -138.45 104.98 5.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 74.439999999999998 110.439 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.557 ' HB2' ' CZ3' ' A' ' 4' ' ' TRP . 2.4 t80 -83.56 -62.04 1.68 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 74.340000000000003 110.994 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -102.51 -71.23 0.73 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 72.530000000000001 109.332 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -167.53 30.67 0.18 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.44 1.088 . . . . 65.349999999999994 110.998 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.579 HD13 ' CD1' ' A' ' 11' ' ' TYR . 0.8 OUTLIER -135.87 138.72 47.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.491 0.759 . . . . 74.340000000000003 109.289 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.5 m -70.84 108.16 4.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.163 . . . . 74.439999999999998 110.383 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.579 ' CD1' HD13 ' A' ' 9' ' ' ILE . 2.8 m-85 -80.92 148.6 29.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 73.209999999999994 111.047 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -95.09 -60.14 1.75 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 75.25 110.294 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 158.14 -134.61 3.94 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.5 1.125 . . . . 73.340000000000003 111.012 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 64.41 154.86 0.13 Allowed Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.016 -0.834 . . . . 63.109999999999999 111.016 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -165.69 -59.01 0.03 OUTLIER Glycine 0 CA--C 1.53 1.017 0 N-CA-C 111.004 -0.839 . . . . 73.150000000000006 111.004 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 120.91 -27.55 6.43 Favored Glycine 0 CA--C 1.529 0.962 0 N-CA-C 111.032 -0.827 . . . . 74.239999999999995 111.032 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.505 ' OG ' ' CB ' ' A' ' 21' ' ' ALA . 3.1 t 59.85 32.42 21.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.421 0.718 . . . . 74.450000000000003 110.0 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.63 85.82 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.12 . . . . 74.400000000000006 109.296 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 17' ' ' SER . . . 73.46 24.93 2.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 73.430000000000007 109.299 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -120.08 -17.24 8.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 74.239999999999995 110.293 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.505 ' CB ' ' OG ' ' A' ' 17' ' ' SER . . . -42.09 -31.93 0.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 73.530000000000001 109.309 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.65 ' CD1' ' N ' ' A' ' 23' ' ' ALA . 1.0 OUTLIER -97.32 -38.65 9.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 73.430000000000007 110.986 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.65 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -50.58 -48.88 57.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 73.200000000000003 109.32 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.83 -48.72 4.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 75.200000000000003 109.289 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.3 mtp180 -66.86 -40.17 87.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 75.299999999999997 110.27 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 16.1 mm -52.01 -51.22 31.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 72.040000000000006 109.282 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -46.55 -53.23 11.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 74.239999999999995 109.271 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -48.36 -59.54 3.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.557 1.161 . . . . 73.430000000000007 110.35 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -44.68 -55.17 5.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 73.140000000000001 109.292 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 28.6 mtp -48.5 -57.57 5.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 73.239999999999995 110.999 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 58.98 52.79 6.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 75.109999999999999 109.324 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.81 137.94 51.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 75.450000000000003 109.278 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.501 1.126 . . . . 72.109999999999999 111.026 179.966 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.7 mtt180 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.32 -0.252 . . . . 75.430000000000007 110.32 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 179.99 -91.01 0.08 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.477 1.111 . . . . 64.540000000000006 111.017 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.12 179.26 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 0.775 . . . . 74.409999999999997 109.307 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.801 ' CZ2' ' CD2' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -149.53 -175.02 4.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 73.030000000000001 108.014 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.454 ' HA ' ' O ' ' A' ' 9' ' ' ILE . 2.5 m -134.91 101.3 4.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 73.340000000000003 110.431 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -115.53 98.44 6.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 74.420000000000002 111.014 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.2 t30 65.87 54.39 1.04 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 74.019999999999996 109.263 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 54.48 57.15 18.54 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.549 1.155 . . . . 62.420000000000002 111.036 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.454 ' O ' ' HA ' ' A' ' 5' ' ' THR . 0.9 OUTLIER -137.98 148.88 24.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.507 0.769 . . . . 73.319999999999993 109.281 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.438 ' N ' HG23 ' A' ' 9' ' ' ILE . 1.3 m -121.2 110.55 16.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 72.109999999999999 110.386 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.801 ' CD2' ' CZ2' ' A' ' 4' ' ' TRP . 9.6 m-85 -88.09 151.84 22.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.1 . . . . 75.0 110.987 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -108.74 -179.44 3.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.113 . . . . 74.409999999999997 110.313 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -146.98 72.93 0.31 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.468 1.105 . . . . 62.119999999999997 110.992 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -151.27 88.98 0.13 Allowed Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.013 -0.835 . . . . 72.25 111.013 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 173.73 -62.36 0.13 Allowed Glycine 0 CA--C 1.53 1.004 0 N-CA-C 110.981 -0.847 . . . . 73.219999999999999 110.981 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 151.06 -142.87 9.92 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 110.996 -0.842 . . . . 75.040000000000006 110.996 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.4 m -78.06 152.22 33.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 0.754 . . . . 71.430000000000007 109.97 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.23 -45.44 63.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 74.209999999999994 109.323 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.79 -39.67 74.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 75.420000000000002 109.293 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -95.78 57.34 1.84 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 73.510000000000005 110.31 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.06 -50.93 0.83 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 54.229999999999997 109.288 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.656 ' CD1' ' N ' ' A' ' 23' ' ' ALA . 0.4 OUTLIER -87.66 -41.65 13.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 75.519999999999996 111.024 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.656 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -44.44 -26.54 0.36 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 74.209999999999994 109.299 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.417 ' N ' ' C ' ' A' ' 22' ' ' TYR . 9.2 tppt? -74.54 -63.24 1.28 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 74.450000000000003 109.304 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.484 ' HG3' ' N ' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -47.32 -27.7 1.7 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 75.209999999999994 110.301 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.484 ' N ' ' HG3' ' A' ' 25' ' ' ARG . 6.2 mm -57.0 -57.75 8.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 62.109999999999999 109.32 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -49.35 -50.86 38.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 75.219999999999999 109.292 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -50.01 -59.87 3.47 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.527 1.142 . . . . 75.409999999999997 110.327 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -49.02 -59.68 3.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 73.540000000000006 109.26 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 2.0 mtt -39.74 -52.32 2.3 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.504 1.127 . . . . 74.409999999999997 110.993 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.99 74.44 3.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.092 . . . . 74.329999999999998 109.358 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.1 93.29 5.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 74.450000000000003 109.326 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.486 1.116 . . . . 61.210000000000001 110.975 179.994 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 13.0 ptp180 . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 110.283 -0.266 . . . . 74.25 110.283 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -82.65 -108.71 0.46 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.467 1.105 . . . . 71.109999999999999 111.022 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 32.6 ttmt 72.92 24.89 2.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 0.767 . . . . 75.329999999999998 109.321 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.543 ' CZ3' ' HB2' ' A' ' 6' ' ' TYR . 2.6 p-90 -90.43 175.12 7.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 74.310000000000002 108.025 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.4 p -125.02 112.5 16.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 72.409999999999997 110.406 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.543 ' HB2' ' CZ3' ' A' ' 4' ' ' TRP . 3.8 t80 -103.6 -55.07 2.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 71.409999999999997 110.995 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -115.96 43.38 2.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 52.530000000000001 109.264 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 67.27 31.25 76.77 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.497 1.123 . . . . 72.129999999999995 111.008 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.595 HD11 ' CD1' ' A' ' 11' ' ' TYR . 0.7 OUTLIER -143.39 140.48 26.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.514 0.773 . . . . 74.5 109.271 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.2 m -73.54 109.03 6.74 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.116 . . . . 74.340000000000003 110.364 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.595 ' CD1' HD11 ' A' ' 9' ' ' ILE . 2.8 m-85 -81.06 151.65 28.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 74.25 110.958 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -111.37 159.93 17.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 74.329999999999998 110.356 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -136.43 143.03 14.31 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.523 1.139 . . . . 64.310000000000002 111.018 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 108.47 159.82 19.92 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 110.987 -0.845 . . . . 64.200000000000003 110.987 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -164.99 96.74 0.13 Allowed Glycine 0 CA--C 1.53 0.975 0 N-CA-C 111.001 -0.839 . . . . 72.040000000000006 111.001 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -150.05 -151.89 5.64 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.008 -0.837 . . . . 70.329999999999998 111.008 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.442 ' CB ' ' HB3' ' A' ' 20' ' ' GLU . 6.2 m -100.59 118.9 37.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 0.768 . . . . 74.310000000000002 110.005 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -83.99 -29.15 27.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 54.420000000000002 109.307 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.543 ' O ' ' CD2' ' A' ' 22' ' ' TYR . . . -94.45 23.53 5.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 74.409999999999997 109.326 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.442 ' HB3' ' CB ' ' A' ' 17' ' ' SER . 14.5 pt-20 -75.98 -22.2 56.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 72.049999999999997 110.314 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -42.1 -60.9 1.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 72.230000000000004 109.278 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.598 ' CG ' ' N ' ' A' ' 23' ' ' ALA . 0.6 OUTLIER -67.85 -43.36 79.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 75.310000000000002 111.027 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.598 ' N ' ' CG ' ' A' ' 22' ' ' TYR . . . -41.59 -53.32 3.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 74.239999999999995 109.315 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -49.39 -52.89 25.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 74.400000000000006 109.321 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.8 mmm180 -51.94 -43.62 63.56 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.47 1.106 . . . . 75.129999999999995 110.286 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.422 HD12 ' N ' ' A' ' 26' ' ' ILE . 5.7 mm -51.28 -63.55 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 71.150000000000006 109.315 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -45.31 -50.67 11.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 73.400000000000006 109.281 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -50.09 -62.83 1.35 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 74.129999999999995 110.328 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -41.88 -61.42 1.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.56 1.162 . . . . 74.010000000000005 109.329 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 37.8 mtt -38.3 -56.0 1.28 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 74.519999999999996 111.003 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 44.74 51.43 8.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 75.450000000000003 109.25 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.4 pttm -130.67 157.75 41.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 74.239999999999995 109.275 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.478 1.111 . . . . 32.229999999999997 110.984 179.974 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 13.2 mmt180 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.276 -0.268 . . . . 71.239999999999995 110.276 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -164.59 -122.89 0.62 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.449 1.093 . . . . 42.509999999999998 111.039 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.476 ' HG2' ' CG2' ' A' ' 10' ' ' THR . 0.0 OUTLIER -65.15 166.87 8.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 0.751 . . . . 75.549999999999997 109.292 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.799 ' CZ2' ' CD2' ' A' ' 11' ' ' TYR . 43.7 p-90 -127.22 106.16 9.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 74.510000000000005 107.986 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.2 p -78.43 99.36 6.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.095 . . . . 62.399999999999999 110.395 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.495 ' HB2' ' CZ3' ' A' ' 4' ' ' TRP . 0.8 OUTLIER -96.21 -62.26 1.31 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 73.340000000000003 111.01 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -114.46 46.49 1.37 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 74.329999999999998 109.281 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 62.39 33.08 85.15 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.499 1.124 . . . . 61.399999999999999 110.985 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.581 HG13 ' CE1' ' A' ' 11' ' ' TYR . 0.1 OUTLIER -136.27 132.74 49.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.495 0.762 . . . . 73.200000000000003 109.317 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.476 ' CG2' ' HG2' ' A' ' 3' ' ' LYS . 8.6 m -89.39 107.39 19.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.434 1.084 . . . . 74.349999999999994 110.379 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.799 ' CD2' ' CZ2' ' A' ' 4' ' ' TRP . 6.6 m-85 -81.87 -81.32 0.14 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.417 1.073 . . . . 74.420000000000002 111.007 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.47 ' HB2' ' CG ' ' A' ' 3' ' ' LYS . 1.1 tm-20 34.11 38.52 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 75.400000000000006 110.327 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . 79.04 114.8 0.22 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.504 1.127 . . . . 63.520000000000003 111.026 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -128.64 94.75 0.37 Allowed Glycine 0 CA--C 1.53 0.973 0 N-CA-C 111.061 -0.816 . . . . 63.310000000000002 111.061 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 139.23 -59.32 0.59 Allowed Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.973 -0.851 . . . . 71.120000000000005 110.973 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -38.46 155.87 0.02 OUTLIER Glycine 0 CA--C 1.53 0.974 0 N-CA-C 110.99 -0.844 . . . . 64.420000000000002 110.99 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 25.2 m -119.3 116.29 25.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 0.752 . . . . 74.439999999999998 109.997 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -44.55 -56.12 4.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 74.230000000000004 109.273 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -41.16 -52.62 3.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.561 1.163 . . . . 73.099999999999994 109.317 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -88.42 58.86 4.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 74.299999999999997 110.262 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.25 -58.28 1.54 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 55.350000000000001 109.266 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.647 ' CD1' ' N ' ' A' ' 23' ' ' ALA . 0.5 OUTLIER -58.53 -39.53 80.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 72.109999999999999 111.005 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.647 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -40.32 -51.45 2.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 75.25 109.33 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.54 -59.2 4.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 73.329999999999998 109.304 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 24.0 mtp180 -43.83 -42.09 5.44 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 75.400000000000006 110.285 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.3 mm -55.43 -61.37 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 72.25 109.308 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -44.82 -46.78 10.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 73.150000000000006 109.262 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -56.19 -63.06 1.31 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 73.209999999999994 110.296 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -44.23 -56.93 3.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 74.019999999999996 109.311 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 2.0 mtm -41.51 -57.05 2.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 75.420000000000002 110.996 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 49.04 40.03 16.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 54.219999999999999 109.318 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.7 pttt -141.62 142.56 33.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 73.319999999999993 109.291 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.059 0 O-C-N 124.563 1.164 . . . . 74.030000000000001 110.989 179.955 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.0 ptt180 . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 110.343 -0.243 . . . . 75.340000000000003 110.343 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -115.96 -77.48 0.68 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.46 1.1 . . . . 74.239999999999995 111.033 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.82 155.01 40.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 0.749 . . . . 74.099999999999994 109.315 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.525 ' CZ3' ' HB2' ' A' ' 6' ' ' TYR . 9.3 p-90 -120.85 -172.91 2.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 72.200000000000003 107.978 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.462 ' CG2' ' HA2' ' A' ' 8' ' ' GLY . 89.6 m -148.58 112.64 5.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 73.329999999999998 110.382 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.525 ' HB2' ' CZ3' ' A' ' 4' ' ' TRP . 7.2 t80 -84.66 -56.61 3.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 75.109999999999999 110.967 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -133.62 13.96 4.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.561 1.163 . . . . 73.140000000000001 109.328 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.462 ' HA2' ' CG2' ' A' ' 5' ' ' THR . . . 99.67 46.61 1.92 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.518 1.136 . . . . 75.140000000000001 110.998 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.406 ' O ' ' HB ' ' A' ' 10' ' ' THR . 2.7 mp -112.99 -19.62 6.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.474 0.749 . . . . 74.510000000000005 109.268 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.52 ' O ' ' CG2' ' A' ' 10' ' ' THR . 1.5 m 65.15 54.97 1.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 73.219999999999999 110.416 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.451 ' CB ' ' CE2' ' A' ' 4' ' ' TRP . 8.3 m-85 -57.85 135.85 56.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 74.430000000000007 110.989 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 19.6 pt-20 -111.35 55.75 0.65 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 71.310000000000002 110.312 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 71.71 -132.4 19.96 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.548 1.155 . . . . 64.310000000000002 111.027 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 106.9 123.44 5.08 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 110.942 -0.863 . . . . 74.400000000000006 110.942 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -149.78 66.87 0.37 Allowed Glycine 0 CA--C 1.531 1.042 0 N-CA-C 110.995 -0.842 . . . . 63.43 110.995 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 78.68 121.05 0.27 Allowed Glycine 0 CA--C 1.53 1.001 0 N-CA-C 110.979 -0.848 . . . . 62.229999999999997 110.979 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -174.93 151.33 1.34 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 0.75 . . . . 73.540000000000006 109.995 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -40.72 -59.43 1.39 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 73.409999999999997 109.302 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -40.92 -51.98 3.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 72.310000000000002 109.307 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -76.86 56.12 1.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 75.019999999999996 110.287 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 23' ' ' ALA . . . -98.74 -57.7 2.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 74.219999999999999 109.28 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.552 ' CE2' HG13 ' A' ' 26' ' ' ILE . 14.4 p90 -36.22 -32.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 74.129999999999995 110.945 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . -40.59 -51.57 2.95 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.48 1.112 . . . . 54.350000000000001 109.274 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.8 ptmt -47.62 -44.4 26.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.459 1.099 . . . . 75.519999999999996 109.306 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.479 ' N ' ' O ' ' A' ' 22' ' ' TYR . 1.9 mmp_? -67.49 -39.59 85.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 73.030000000000001 110.331 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.552 HG13 ' CE2' ' A' ' 22' ' ' TYR . 18.8 mm -51.13 -61.0 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.537 1.148 . . . . 74.450000000000003 109.315 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -48.09 -53.88 15.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 73.420000000000002 109.288 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -45.65 -61.22 1.8 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.103 . . . . 73.040000000000006 110.288 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -50.13 -61.56 2.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 71.549999999999997 109.326 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.1 mtt -37.77 -55.4 1.17 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 72.329999999999998 110.961 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -73.9 75.94 1.65 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 65.239999999999995 109.283 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.2 tttp -104.52 -63.84 1.17 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.547 1.154 . . . . 73.420000000000002 109.322 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.476 1.11 . . . . 74.340000000000003 110.958 179.966 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.5 ptm180 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.324 -0.25 . . . . 74.150000000000006 110.324 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -129.79 -127.64 2.95 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.488 1.117 . . . . 62.32 111.014 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.06 -173.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 0.766 . . . . 71.5 109.318 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.767 ' CH2' ' CG ' ' A' ' 11' ' ' TYR . 11.0 p-90 -154.39 -175.04 5.21 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.017 -1.105 . . . . 74.25 108.017 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.2 m -151.13 105.05 3.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 74.150000000000006 110.356 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 39.8 t80 -98.43 -63.17 1.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 72.109999999999999 110.965 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -112.09 47.89 1.02 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.5 1.125 . . . . 75.109999999999999 109.292 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 61.58 32.84 82.81 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.481 1.113 . . . . 54.109999999999999 110.956 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.589 HG13 ' CE1' ' A' ' 11' ' ' TYR . 0.1 OUTLIER -129.33 126.05 63.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.468 0.746 . . . . 75.349999999999994 109.313 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.419 ' N ' HD12 ' A' ' 9' ' ' ILE . 1.1 m -82.9 117.46 22.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 71.230000000000004 110.392 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.767 ' CG ' ' CH2' ' A' ' 4' ' ' TRP . 24.2 m-85 -97.12 156.11 16.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 74.219999999999999 111.025 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.56 -59.49 2.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 75.540000000000006 110.318 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 146.38 147.18 4.52 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.543 1.152 . . . . 62.210000000000001 110.986 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -84.51 77.24 2.13 Favored Glycine 0 CA--C 1.53 1.028 0 N-CA-C 110.987 -0.845 . . . . 75.209999999999994 110.987 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 104.93 -126.91 8.86 Favored Glycine 0 CA--C 1.531 1.043 0 N-CA-C 111.002 -0.839 . . . . 72.120000000000005 111.002 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.462 ' O ' ' N ' ' A' ' 18' ' ' ALA . . . -123.43 -127.38 3.23 Favored Glycine 0 CA--C 1.529 0.965 0 N-CA-C 111.011 -0.836 . . . . 73.109999999999999 111.011 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.534 ' CB ' ' HB2' ' A' ' 20' ' ' GLU . 3.0 p -64.49 74.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 0.735 . . . . 72.099999999999994 109.99 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 16' ' ' GLY . . . -55.12 -47.48 74.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 64.329999999999998 109.274 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.578 ' O ' ' CD2' ' A' ' 22' ' ' TYR . . . -119.95 -3.45 10.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 71.349999999999994 109.315 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.534 ' HB2' ' CB ' ' A' ' 17' ' ' SER . 0.0 OUTLIER -73.26 -24.85 60.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 75.140000000000001 110.298 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -50.71 -73.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 74.129999999999995 109.285 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.61 ' CG ' ' N ' ' A' ' 23' ' ' ALA . 1.2 p90 -56.41 -43.67 79.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 75.019999999999996 110.979 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.61 ' N ' ' CG ' ' A' ' 22' ' ' TYR . . . -39.47 -29.47 0.05 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 64.319999999999993 109.279 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.461 ' N ' ' C ' ' A' ' 22' ' ' TYR . 3.2 ttmt -75.17 -53.93 7.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 75.519999999999996 109.29 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.533 ' HG3' ' N ' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -58.08 -23.47 54.78 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 73.040000000000006 110.307 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.568 HG13 ' CE1' ' A' ' 22' ' ' TYR . 27.8 mm -58.3 -57.4 10.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.556 1.16 . . . . 74.120000000000005 109.285 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.03 -53.64 53.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.163 . . . . 63.140000000000001 109.323 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -45.95 -60.24 2.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.153 . . . . 71.150000000000006 110.295 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.513 ' CB ' ' NH2' ' A' ' 25' ' ' ARG . . . -41.04 -63.52 0.66 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 71.099999999999994 109.309 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -44.58 -48.93 10.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 74.329999999999998 111.064 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -101.22 82.06 2.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 72.239999999999995 109.342 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.0 mmtm -122.6 165.77 15.92 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 73.549999999999997 109.311 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 O-C-N 124.506 1.129 . . . . 71.319999999999993 111.0 -179.964 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.321 -0.252 . . . . 74.349999999999994 110.321 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -156.96 157.59 28.14 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.52 1.137 . . . . 65.099999999999994 111.005 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.427 ' CE ' HG21 ' A' ' 10' ' ' THR . 0.0 OUTLIER -54.15 153.19 5.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 0.777 . . . . 73.549999999999997 109.309 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.666 ' CZ2' ' CD2' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -111.78 -10.84 14.01 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.558 1.161 . . . . 64.349999999999994 107.995 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 50.7 m 60.69 54.98 3.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 74.510000000000005 110.398 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.598 ' HB2' ' CE3' ' A' ' 4' ' ' TRP . 1.0 OUTLIER -82.83 151.46 26.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 71.109999999999999 111.008 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 49.46 25.6 1.4 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 75.129999999999995 109.265 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 68.51 37.46 85.41 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.485 1.116 . . . . 64.329999999999998 110.993 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.618 HD11 ' CE1' ' A' ' 11' ' ' TYR . 0.7 OUTLIER -148.3 141.15 18.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.505 0.768 . . . . 71.340000000000003 109.265 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.427 HG21 ' CE ' ' A' ' 3' ' ' LYS . 1.0 OUTLIER -81.2 119.81 24.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 73.439999999999998 110.359 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.666 ' CD2' ' CZ2' ' A' ' 4' ' ' TRP . 3.6 m-85 -87.65 160.63 18.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 74.25 110.972 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.419 ' HG3' ' N ' ' A' ' 13' ' ' GLY . 0.6 OUTLIER -98.03 -49.84 4.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 75.549999999999997 110.292 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.419 ' N ' ' HG3' ' A' ' 12' ' ' GLU . . . -162.49 -73.56 0.02 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.467 1.104 . . . . 52.340000000000003 111.018 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 151.96 179.66 27.78 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 111.007 -0.837 . . . . 71.010000000000005 111.007 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -150.5 -75.86 0.02 OUTLIER Glycine 0 CA--C 1.53 0.981 0 N-CA-C 111.011 -0.836 . . . . 72.120000000000005 111.011 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -91.14 165.45 30.33 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 110.989 -0.844 . . . . 52.539999999999999 110.989 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -166.06 166.64 17.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 0.763 . . . . 71.030000000000001 109.962 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -41.75 -54.56 3.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 71.239999999999995 109.254 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.19 -55.19 26.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 53.310000000000002 109.307 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -94.7 45.06 1.11 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 71.400000000000006 110.283 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -127.33 -52.5 1.39 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 74.150000000000006 109.27 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.568 ' CD1' ' N ' ' A' ' 23' ' ' ALA . 0.9 OUTLIER -93.7 -41.01 9.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 74.510000000000005 111.012 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.568 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -52.35 -50.13 62.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 65.209999999999994 109.301 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -41.48 -48.22 3.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 75.430000000000007 109.253 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.4 mmp_? -67.86 -43.38 79.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 75.519999999999996 110.244 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 10.4 mm -46.61 -58.51 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 75.239999999999995 109.3 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -47.47 -54.29 11.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.46 1.1 . . . . 75.150000000000006 109.271 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -48.16 -61.41 2.0 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 75.349999999999994 110.274 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -45.38 -63.97 0.83 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.095 . . . . 61.140000000000001 109.318 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -39.77 -56.23 1.78 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 73.420000000000002 110.948 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -74.66 108.01 7.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 63.149999999999999 109.317 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.48 127.52 55.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.135 . . . . 72.310000000000002 109.295 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.047 0 O-C-N 124.503 1.127 . . . . 72.430000000000007 110.969 179.955 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.489 ' HB2' HG23 ' A' ' 10' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.322 -0.622 . . . . 75.420000000000002 109.322 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.659 ' CZ2' ' CD2' ' A' ' 11' ' ' TYR . 1.5 p-90 -107.98 -174.23 2.47 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.548 1.155 . . . . 75.109999999999999 107.974 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.6 p -138.25 107.81 6.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 72.310000000000002 110.404 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.575 ' HB2' ' CZ3' ' A' ' 4' ' ' TRP . 7.8 t80 -92.96 -62.81 1.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 74.329999999999998 110.985 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ASN . . . . . 0.41 ' O ' HG22 ' A' ' 9' ' ' ILE . 32.0 m-20 -131.12 55.39 1.85 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 73.329999999999998 109.275 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 67.34 23.52 73.39 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.449 1.093 . . . . 53.039999999999999 111.014 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.79 HD12 ' N ' ' A' ' 10' ' ' THR . 0.1 OUTLIER -125.69 122.11 61.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.483 0.754 . . . . 62.009999999999998 109.325 179.941 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.79 ' N ' HD12 ' A' ' 9' ' ' ILE . 0.8 OUTLIER -78.19 112.24 14.96 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 74.400000000000006 110.403 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.659 ' CD2' ' CZ2' ' A' ' 4' ' ' TRP . 5.7 m-85 -87.15 156.16 19.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 75.510000000000005 110.976 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.567 1.167 . . . . 55.210000000000001 110.311 -179.999 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.602 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 CA-C-O 120.536 0.208 . . . . 73.129999999999995 111.039 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.463 ' N ' ' CG ' ' A' ' 22' ' ' TYR . . . -58.29 -61.2 2.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 71.430000000000007 109.278 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.547 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 1.0 OUTLIER -40.21 -42.53 1.5 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 72.329999999999998 109.273 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 34.1 mtp85 -66.16 -53.25 39.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 73.310000000000002 110.267 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.484 HD12 ' HE1' ' A' ' 22' ' ' TYR . 6.2 mt -52.68 -24.38 6.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 62.030000000000001 109.279 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.547 ' HB3' ' O ' ' A' ' 24' ' ' LYS . . . -40.41 -35.93 0.49 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 72.340000000000003 109.299 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -74.82 -59.55 2.68 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 71.239999999999995 110.296 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -40.53 -45.59 2.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 53.450000000000003 109.303 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.2 mtm . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 73.530000000000001 110.982 -179.971 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.316 -0.624 . . . . 70.120000000000005 109.316 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.576 ' CE3' ' HB2' ' A' ' 6' ' ' TYR . 7.8 p-90 -124.06 105.67 9.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 72.209999999999994 108.01 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 23.8 m -67.55 94.43 0.41 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.135 . . . . 72.109999999999999 110.374 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.576 ' HB2' ' CE3' ' A' ' 4' ' ' TRP . 0.3 OUTLIER -111.52 134.18 53.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 74.230000000000004 110.987 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.3 t30 68.83 24.99 6.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 53.409999999999997 109.353 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 70.42 32.29 68.19 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.476 1.11 . . . . 63.109999999999999 110.989 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.985 HD11 ' CE1' ' A' ' 11' ' ' TYR . 0.7 OUTLIER -146.62 140.5 20.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.474 0.749 . . . . 63.049999999999997 109.335 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -94.55 137.41 33.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 74.129999999999995 110.409 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.985 ' CE1' HD11 ' A' ' 9' ' ' ILE . 3.7 m-85 -100.48 -175.43 2.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 72.239999999999995 111.019 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.151 . . . . 73.510000000000005 110.325 -179.999 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.642 ' CD1' ' N ' ' A' ' 23' ' ' ALA . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.463 0.173 . . . . 71.340000000000003 110.97 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.642 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -49.21 -45.47 44.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 61.109999999999999 109.277 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.811 ' HD2' HH21 ' A' ' 25' ' ' ARG . 0.0 OUTLIER -53.35 -44.88 68.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.567 1.167 . . . . 73.319999999999993 109.307 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.811 HH21 ' HD2' ' A' ' 24' ' ' LYS . 1.1 mmp_? -65.44 -35.95 82.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 73.510000000000005 110.302 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.7 mm -56.79 -55.12 21.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 55.229999999999997 109.309 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -46.06 -50.39 15.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 74.400000000000006 109.26 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -51.73 -61.06 2.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.1 . . . . 74.420000000000002 110.349 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -45.86 -58.66 3.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 62.210000000000001 109.294 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 72.329999999999998 110.976 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.522 ' CB ' HG23 ' A' ' 10' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.289 -0.634 . . . . 75.239999999999995 109.289 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.583 ' CZ3' ' HB2' ' A' ' 6' ' ' TYR . 1.4 p-90 -113.68 -174.55 2.49 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.974 -1.121 . . . . 73.319999999999993 107.974 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.6 p -135.6 107.39 7.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 53.049999999999997 110.407 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.583 ' HB2' ' CZ3' ' A' ' 4' ' ' TRP . 2.5 t80 -95.24 -55.34 3.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 74.099999999999994 110.972 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -104.22 -70.05 0.78 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 75.310000000000002 109.316 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -174.24 33.01 0.1 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.538 1.149 . . . . 75.129999999999995 111.021 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.908 HD12 ' N ' ' A' ' 10' ' ' THR . 0.0 OUTLIER -143.62 120.43 5.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.541 0.789 . . . . 60.119999999999997 109.31 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.908 ' N ' HD12 ' A' ' 9' ' ' ILE . 1.3 m -44.73 94.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 65.439999999999998 110.413 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.518 ' CD1' ' O ' ' A' ' 9' ' ' ILE . 5.4 m-30 -78.71 141.03 38.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 72.340000000000003 110.989 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 72.549999999999997 110.308 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.653 ' CD1' ' N ' ' A' ' 23' ' ' ALA . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.463 0.173 . . . . 75.409999999999997 110.97 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.653 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -46.71 -46.21 20.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 65.439999999999998 109.29 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.0 -45.52 82.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 64.319999999999993 109.333 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 40.4 mtp180 -61.59 -35.79 78.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.117 . . . . 63.350000000000001 110.284 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.2 mm -57.22 -54.99 23.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 74.450000000000003 109.287 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -45.99 -49.34 16.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 60.439999999999998 109.298 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -54.35 -60.63 3.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 74.430000000000007 110.329 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -46.24 -59.33 2.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 62.109999999999999 109.285 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 19.2 mtm . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 73.349999999999994 111.049 -179.978 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.475 ' HB2' ' CG2' ' A' ' 10' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.272 -0.64 . . . . 72.420000000000002 109.272 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.513 ' CZ3' ' HB2' ' A' ' 6' ' ' TYR . 3.0 p-90 -129.53 152.74 48.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 72.400000000000006 108.0 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 32.8 m -112.84 100.8 8.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 64.25 110.375 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.513 ' HB2' ' CZ3' ' A' ' 4' ' ' TRP . 3.7 t80 -102.3 -53.41 2.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.125 . . . . 73.299999999999997 111.037 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ASN . . . . . 0.524 ' O ' HG22 ' A' ' 9' ' ' ILE . 18.7 t-20 -103.82 27.91 7.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 35.240000000000002 109.299 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 69.8 14.5 70.33 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.455 1.097 . . . . 64.519999999999996 110.986 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.733 HD12 ' N ' ' A' ' 10' ' ' THR . 0.1 OUTLIER -127.82 122.02 57.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.566 0.804 . . . . 62.219999999999999 109.331 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.733 ' N ' HD12 ' A' ' 9' ' ' ILE . 17.4 m -72.23 116.29 12.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 62.5 110.428 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.607 ' CE1' ' O ' ' A' ' 9' ' ' ILE . 3.6 m-85 -88.31 -63.88 1.23 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 73.310000000000002 111.017 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.406 ' CB ' ' HA ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 72.409999999999997 110.28 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.65 ' CD1' ' N ' ' A' ' 23' ' ' ALA . 0.6 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 CA-C-O 120.482 0.182 . . . . 73.200000000000003 110.955 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.65 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -46.92 -39.84 13.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.122 . . . . 72.450000000000003 109.28 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.42 ' HG3' ' N ' ' A' ' 25' ' ' ARG . 1.1 ptpt -59.24 -48.73 80.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 64.209999999999994 109.292 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.42 ' N ' ' HG3' ' A' ' 24' ' ' LYS . 1.0 OUTLIER -60.64 -32.7 71.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 74.319999999999993 110.289 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.9 mm -60.59 -58.22 8.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 54.520000000000003 109.291 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -48.07 -48.74 33.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 63.240000000000002 109.33 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -53.28 -60.02 3.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 74.140000000000001 110.328 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -40.58 -63.17 0.67 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.11 . . . . 72.450000000000003 109.306 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 70.219999999999999 110.995 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.731 ' HB2' HG22 ' A' ' 10' ' ' THR . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.32 -0.622 . . . . 74.140000000000001 109.32 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.517 ' CZ3' ' HB2' ' A' ' 6' ' ' TYR . 1.7 p-90 -115.22 -174.46 2.51 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.985 -1.117 . . . . 74.239999999999995 107.985 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 32.4 m -146.71 105.01 3.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 74.340000000000003 110.394 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.517 ' HB2' ' CZ3' ' A' ' 4' ' ' TRP . 0.7 OUTLIER -92.64 -63.68 1.2 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 74.430000000000007 110.982 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -77.36 -75.23 0.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 73.239999999999995 109.29 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.53 ' O ' HG23 ' A' ' 9' ' ' ILE . . . -177.34 34.72 0.08 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.483 1.115 . . . . 75.129999999999995 111.045 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.614 ' O ' ' CE1' ' A' ' 11' ' ' TYR . 2.3 pp -156.0 141.49 9.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.479 0.752 . . . . 62.43 109.299 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.731 HG22 ' HB2' ' A' ' 3' ' ' LYS . 2.3 m -78.4 133.65 37.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 71.409999999999997 110.35 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.614 ' CE1' ' O ' ' A' ' 9' ' ' ILE . 1.8 m-85 -97.56 -63.65 1.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 74.340000000000003 110.977 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 71.319999999999993 110.279 -179.978 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.655 ' CD1' ' N ' ' A' ' 23' ' ' ALA . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 CA-C-O 120.523 0.201 . . . . 75.340000000000003 111.001 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.655 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -40.05 -29.67 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 65.030000000000001 109.312 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.458 ' N ' ' C ' ' A' ' 22' ' ' TYR . 4.5 mttt -68.93 -55.7 10.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 51.509999999999998 109.302 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.489 ' HG3' ' N ' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -53.05 -27.96 22.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.107 . . . . 65.5 110.33 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.489 ' N ' ' HG3' ' A' ' 25' ' ' ARG . 5.3 mm -64.81 -62.61 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.422 1.076 . . . . 72.099999999999994 109.292 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -43.72 -48.75 7.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 72.439999999999998 109.31 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -51.16 -60.11 3.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 62.049999999999997 110.347 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -41.36 -59.5 1.54 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 73.040000000000006 109.302 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 73.120000000000005 110.996 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.812 ' HB3' HG23 ' A' ' 10' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.313 -0.625 . . . . 73.140000000000001 109.313 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.506 ' CZ3' ' HB2' ' A' ' 6' ' ' TYR . 10.8 p-90 -126.8 147.94 49.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 64.519999999999996 108.006 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.2 p -115.71 103.57 10.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 63.32 110.38 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.506 ' HB2' ' CZ3' ' A' ' 4' ' ' TRP . 2.5 t80 -92.94 -41.84 9.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 75.030000000000001 111.001 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -101.53 -77.78 0.54 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 65.400000000000006 109.299 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.662 ' O ' HG23 ' A' ' 9' ' ' ILE . . . -169.23 28.31 0.14 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.514 1.134 . . . . 41.530000000000001 110.991 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.662 HG23 ' O ' ' A' ' 8' ' ' GLY . 2.3 pp -158.83 146.56 7.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.511 0.771 . . . . 61.420000000000002 109.266 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.812 HG23 ' HB3' ' A' ' 3' ' ' LYS . 0.7 OUTLIER -80.82 130.08 34.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.444 1.09 . . . . 75.510000000000005 110.427 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.614 ' CE1' ' O ' ' A' ' 9' ' ' ILE . 1.6 m-30 -94.53 -64.06 1.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 73.299999999999997 110.994 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.494 ' O ' ' CG ' ' A' ' 3' ' ' LYS . 8.5 pt-20 . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 71.340000000000003 110.301 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.62 ' CD1' ' N ' ' A' ' 23' ' ' ALA . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.514 0.197 . . . . 75.209999999999994 110.978 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.62 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -43.86 -43.16 6.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 72.030000000000001 109.293 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.14 -44.98 96.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 74.5 109.256 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.412 ' N ' ' O ' ' A' ' 22' ' ' TYR . 7.1 mmm180 -58.73 -40.13 82.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.158 . . . . 73.0 110.283 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.496 ' N ' HD13 ' A' ' 26' ' ' ILE . 4.7 mm -54.62 -63.46 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 62.109999999999999 109.266 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -44.25 -49.04 9.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 63.020000000000003 109.308 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -51.81 -59.89 3.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 72.040000000000006 110.29 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -47.92 -59.12 3.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.428 1.08 . . . . 75.329999999999998 109.27 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 41.9 mtt . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 60.140000000000001 110.988 179.986 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.653 ' HB3' HG23 ' A' ' 10' ' ' THR . 2.5 mttt . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.285 -0.635 . . . . 74.430000000000007 109.285 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.575 ' CZ3' ' HB2' ' A' ' 6' ' ' TYR . 1.6 p-90 -110.24 -174.44 2.49 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.004 -1.11 . . . . 75.109999999999999 108.004 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 37.1 m -134.73 108.14 7.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 73.400000000000006 110.447 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.575 ' HB2' ' CZ3' ' A' ' 4' ' ' TRP . 2.5 t80 -95.74 -62.39 1.3 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.56 1.162 . . . . 73.219999999999999 110.971 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -107.15 40.86 1.58 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.089 . . . . 63.340000000000003 109.287 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.411 ' C ' ' CG2' ' A' ' 9' ' ' ILE . . . 66.55 37.38 92.54 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.467 1.104 . . . . 61.149999999999999 111.002 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.531 HD11 ' CE1' ' A' ' 11' ' ' TYR . 0.9 OUTLIER -151.44 139.36 14.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.524 0.779 . . . . 74.400000000000006 109.296 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.653 HG23 ' HB3' ' A' ' 3' ' ' LYS . 0.8 OUTLIER -71.37 109.63 5.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.15 . . . . 71.239999999999995 110.388 -179.942 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.531 ' CE1' HD11 ' A' ' 9' ' ' ILE . 3.0 m-30 -80.6 152.41 28.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 71.109999999999999 111.019 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 54.039999999999999 110.306 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.648 ' CD1' ' N ' ' A' ' 23' ' ' ALA . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.529 0.204 . . . . 71.129999999999995 111.014 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.648 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -54.44 -50.29 68.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 74.310000000000002 109.322 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -50.27 -31.85 15.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 74.230000000000004 109.26 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 13.7 mmm180 -83.76 -25.13 30.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 73.409999999999997 110.323 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.415 ' N ' ' O ' ' A' ' 23' ' ' ALA . 6.9 mm -64.09 -58.31 7.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 63.409999999999997 109.268 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -48.25 -49.83 31.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 55.530000000000001 109.305 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -48.19 -60.7 2.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 73.209999999999994 110.298 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -47.31 -60.04 2.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 72.109999999999999 109.304 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 8.6 mtt . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 75.439999999999998 111.025 -179.984 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.66 ' HB2' HG23 ' A' ' 10' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.275 -0.639 . . . . 74.439999999999998 109.275 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.579 ' CZ3' ' HB2' ' A' ' 6' ' ' TYR . 1.7 p-90 -117.51 -174.62 2.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 71.219999999999999 107.979 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.4 p -134.95 108.45 7.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 74.0 110.399 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.579 ' HB2' ' CZ3' ' A' ' 4' ' ' TRP . 2.7 t80 -95.61 -62.8 1.23 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 74.200000000000003 111.0 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -111.67 44.01 1.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 62.420000000000002 109.29 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 66.91 33.99 85.73 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.537 1.148 . . . . 63.210000000000001 111.02 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.549 HD11 ' CE1' ' A' ' 11' ' ' TYR . 0.7 OUTLIER -146.63 141.4 20.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.508 0.769 . . . . 65.549999999999997 109.25 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.66 HG23 ' HB2' ' A' ' 3' ' ' LYS . 0.8 OUTLIER -77.13 116.01 17.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 61.409999999999997 110.419 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.549 ' CE1' HD11 ' A' ' 9' ' ' ILE . 3.0 m-85 -85.48 157.43 20.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 65.209999999999994 111.009 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 61.219999999999999 110.296 -179.988 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.652 ' CD1' ' N ' ' A' ' 23' ' ' ALA . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.474 0.178 . . . . 71.049999999999997 111.003 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.652 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -54.4 -52.02 63.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.558 1.161 . . . . 73.340000000000003 109.291 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.0 ttmm -47.09 -34.86 6.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 73.319999999999993 109.301 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.4 mmm180 -80.36 -30.72 37.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 75.129999999999995 110.334 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.451 ' N ' ' O ' ' A' ' 23' ' ' ALA . 7.3 mm -58.26 -57.82 9.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 74.340000000000003 109.312 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -49.55 -52.32 30.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 63.109999999999999 109.306 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -48.74 -62.72 1.36 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 74.140000000000001 110.332 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -44.07 -62.43 1.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 62.0 109.292 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.2 mmt . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 72.299999999999997 110.988 -179.994 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.402 ' HB2' ' O ' ' A' ' 11' ' ' TYR . 5.0 tppt? . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 109.289 -0.634 . . . . 72.230000000000004 109.289 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.835 ' CH2' ' CD1' ' A' ' 11' ' ' TYR . 7.6 p-90 -151.56 -174.99 5.01 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.016 -1.105 . . . . 74.209999999999994 108.016 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.419 ' HA ' ' O ' ' A' ' 9' ' ' ILE . 2.5 p -141.6 105.62 4.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 53.140000000000001 110.386 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.514 ' HB3' HD11 ' A' ' 9' ' ' ILE . 21.5 t80 -93.45 -62.29 1.39 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 73.109999999999999 110.98 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ASN . . . . . 0.434 ' H ' HD11 ' A' ' 9' ' ' ILE . 5.3 t-20 -123.98 64.81 1.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 44.219999999999999 109.291 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 54.73 36.75 60.01 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.485 1.116 . . . . 22.449999999999999 111.016 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.813 ' O ' HD12 ' A' ' 9' ' ' ILE . 1.1 pp -140.06 146.26 25.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.503 0.767 . . . . 74.239999999999995 109.288 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -110.51 124.25 51.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 72.349999999999994 110.422 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.835 ' CD1' ' CH2' ' A' ' 4' ' ' TRP . 10.8 m-85 -95.68 163.51 13.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 63.009999999999998 110.977 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 65.439999999999998 110.282 179.985 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.647 ' CD1' ' N ' ' A' ' 23' ' ' ALA . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.441 0.162 . . . . 72.310000000000002 110.963 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.647 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -46.7 -38.29 9.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 73.450000000000003 109.303 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.3 tttp -66.43 -48.95 68.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 74.310000000000002 109.278 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 45.5 mtp180 -58.6 -33.6 70.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 72.420000000000002 110.309 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.7 mm -54.06 -57.63 5.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 64.510000000000005 109.282 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -49.61 -47.02 49.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 62.539999999999999 109.298 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 29' ' ' ALA . 3.6 mt-10 -54.63 -59.44 4.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.1 . . . . 73.010000000000005 110.276 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 28' ' ' GLU . . . -40.21 -59.69 1.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 62.420000000000002 109.264 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 75.140000000000001 110.975 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.317 -0.623 . . . . 74.400000000000006 109.317 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.584 ' CZ3' ' HB2' ' A' ' 6' ' ' TYR . 4.1 p-90 -111.78 -173.14 2.18 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.478 1.112 . . . . 74.319999999999993 108.033 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 24.2 m -141.25 110.44 6.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 64.319999999999993 110.408 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.584 ' HB2' ' CZ3' ' A' ' 4' ' ' TRP . 6.0 t80 -91.09 -62.75 1.38 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 73.109999999999999 111.028 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -127.08 52.13 1.82 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 63.43 109.29 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 67.39 27.51 73.54 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.514 1.134 . . . . 62.409999999999997 110.996 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.784 HD12 ' N ' ' A' ' 10' ' ' THR . 0.1 OUTLIER -129.62 122.67 55.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.517 0.775 . . . . 74.319999999999993 109.292 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.784 ' N ' HD12 ' A' ' 9' ' ' ILE . 0.9 OUTLIER -78.78 112.72 16.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 73.400000000000006 110.409 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.517 ' CE1' HG13 ' A' ' 9' ' ' ILE . 6.0 m-85 -88.02 155.45 19.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 74.019999999999996 111.0 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 60.310000000000002 110.313 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.633 ' CD1' ' N ' ' A' ' 23' ' ' ALA . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.265 0 CA-C-O 120.499 0.19 . . . . 65.5 110.944 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.633 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -50.79 -50.98 54.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 63.329999999999998 109.312 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -49.81 -39.8 39.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 72.299999999999997 109.305 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.2 mmm180 -71.84 -36.83 70.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 71.129999999999995 110.312 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.3 mm -53.45 -60.68 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 71.209999999999994 109.298 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -46.02 -52.93 10.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 72.319999999999993 109.293 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -50.1 -62.57 1.5 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 52.240000000000002 110.346 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -44.33 -60.01 2.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 51.119999999999997 109.319 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.2 mtm . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 64.319999999999993 111.028 179.971 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.509 ' HB2' HG23 ' A' ' 10' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.312 -0.625 . . . . 73.019999999999996 109.312 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.541 ' CE3' ' HB2' ' A' ' 6' ' ' TYR . 3.3 p-90 -136.01 150.2 49.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 73.310000000000002 108.036 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.9 m -111.62 98.01 7.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 62.009999999999998 110.402 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.541 ' HB2' ' CE3' ' A' ' 4' ' ' TRP . 0.6 OUTLIER -107.45 96.95 6.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 74.5 110.984 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ASN . . . . . 0.438 ' C ' ' O ' ' A' ' 6' ' ' TYR . 7.6 t-20 36.94 54.98 1.21 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 45.530000000000001 109.308 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -176.13 -121.35 0.66 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.482 1.114 . . . . 74.519999999999996 110.987 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.717 HD12 ' HE1' ' A' ' 11' ' ' TYR . 0.4 OUTLIER -126.89 -171.82 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 0.761 . . . . 74.310000000000002 109.284 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.509 HG23 ' HB2' ' A' ' 3' ' ' LYS . 0.7 OUTLIER -65.97 116.94 7.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 74.420000000000002 110.397 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.717 ' HE1' HD12 ' A' ' 9' ' ' ILE . 4.2 m-30 -98.14 159.99 14.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 74.209999999999994 110.992 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 73.25 110.286 -179.995 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.653 ' CD1' ' N ' ' A' ' 23' ' ' ALA . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.52 0.2 . . . . 62.409999999999997 110.996 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.653 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -40.06 -29.47 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 65.109999999999999 109.332 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.45 ' N ' ' C ' ' A' ' 22' ' ' TYR . 6.4 tptm -69.51 -59.29 3.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 73.530000000000001 109.305 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.493 ' HG3' ' N ' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -49.85 -28.01 5.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 64.340000000000003 110.274 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.493 ' N ' ' HG3' ' A' ' 25' ' ' ARG . 7.3 mm -62.7 -60.18 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 73.010000000000005 109.309 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -45.05 -49.17 11.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.464 1.103 . . . . 72.349999999999994 109.314 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -49.34 -60.94 2.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 73.230000000000004 110.301 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -48.83 -58.99 3.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 65.540000000000006 109.282 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 4.5 mtm . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 54.420000000000002 111.041 -179.972 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.405 ' CG ' HG23 ' A' ' 10' ' ' THR . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.339 -0.615 . . . . 64.420000000000002 109.339 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.1 p-90 -137.89 171.74 13.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 74.540000000000006 107.986 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 13.9 m -134.95 97.59 3.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.563 1.164 . . . . 70.450000000000003 110.403 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.419 ' O ' ' C ' ' A' ' 7' ' ' ASN . 3.4 t80 -107.14 90.59 3.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.147 . . . . 74.140000000000001 111.002 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ASN . . . . . 0.419 ' C ' ' O ' ' A' ' 6' ' ' TYR . 12.0 m-20 38.18 53.41 1.68 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 71.329999999999998 109.267 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -163.62 -110.0 0.24 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.432 1.082 . . . . 75.150000000000006 111.014 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.622 ' O ' ' CD1' ' A' ' 11' ' ' TYR . 1.8 pp -146.97 170.4 4.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.46 0.741 . . . . 73.209999999999994 109.291 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.405 HG23 ' CG ' ' A' ' 3' ' ' LYS . 1.4 m -48.62 93.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 74.329999999999998 110.408 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.622 ' CD1' ' O ' ' A' ' 9' ' ' ILE . 10.0 m-30 -82.86 142.22 31.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 75.319999999999993 111.036 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 63.130000000000003 110.289 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.63 ' CD1' ' N ' ' A' ' 23' ' ' ALA . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 CA-C-O 120.469 0.176 . . . . 64.120000000000005 110.996 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.63 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -42.06 -52.56 4.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 62.420000000000002 109.312 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.6 mmtt -46.46 -56.47 5.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 62.229999999999997 109.252 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.3 mmm180 -49.76 -42.8 47.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 71.450000000000003 110.326 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.463 ' N ' HD13 ' A' ' 26' ' ' ILE . 5.4 mm -54.41 -65.54 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 73.329999999999998 109.285 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -44.19 -48.96 9.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 54.329999999999998 109.29 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -51.29 -62.72 1.45 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 74.019999999999996 110.262 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -47.18 -60.37 2.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.095 . . . . 71.329999999999998 109.284 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 13.2 mtm . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 64.329999999999998 111.025 179.997 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.695 ' HG3' HG23 ' A' ' 10' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.271 -0.641 . . . . 75.409999999999997 109.271 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.566 ' CZ3' ' HB2' ' A' ' 6' ' ' TYR . 1.3 p-90 -119.13 -174.25 2.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 62.140000000000001 108.038 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.677 HG23 ' H ' ' A' ' 9' ' ' ILE . 53.7 m -139.6 107.24 5.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 75.099999999999994 110.379 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.566 ' HB2' ' CZ3' ' A' ' 4' ' ' TRP . 10.0 t80 -93.54 -46.32 7.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 74.420000000000002 110.987 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -128.59 67.47 1.39 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 62.130000000000003 109.281 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 46.45 45.89 16.93 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.513 1.133 . . . . 75.219999999999999 110.985 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 1.009 HD13 ' CD1' ' A' ' 11' ' ' TYR . 1.2 pp -139.71 166.59 20.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.492 0.76 . . . . 72.450000000000003 109.28 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.695 HG23 ' HG3' ' A' ' 3' ' ' LYS . 1.3 m -101.04 70.85 1.37 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 75.340000000000003 110.366 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 1.009 ' CD1' HD13 ' A' ' 9' ' ' ILE . 4.2 m-30 -63.98 132.62 51.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 74.230000000000004 110.971 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 64.400000000000006 110.311 179.967 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.531 ' CG ' ' N ' ' A' ' 23' ' ' ALA . 17.6 p90 . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.455 0.169 . . . . 61.420000000000002 111.006 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.531 ' N ' ' CG ' ' A' ' 22' ' ' TYR . . . -41.13 -52.07 3.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.581 1.175 . . . . 74.329999999999998 109.284 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.38 -44.44 11.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 72.510000000000005 109.304 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.454 ' N ' ' O ' ' A' ' 22' ' ' TYR . 3.2 mmp_? -72.12 -38.33 69.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 74.439999999999998 110.257 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 47.1 mm -50.24 -52.12 15.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 71.450000000000003 109.27 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -49.76 -52.2 33.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 74.420000000000002 109.313 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -51.85 -61.45 2.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 75.319999999999993 110.323 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -44.44 -60.24 2.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 54.43 109.297 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.6 mtm . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.585 1.178 . . . . 74.450000000000003 111.015 179.956 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.296 -0.631 . . . . 74.120000000000005 109.296 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.557 ' CZ3' ' HB2' ' A' ' 6' ' ' TYR . 2.7 p-90 -130.53 -173.17 2.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 72.129999999999995 108.021 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 56.5 m -138.45 104.98 5.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 63.350000000000001 110.439 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.557 ' HB2' ' CZ3' ' A' ' 4' ' ' TRP . 2.4 t80 -83.56 -62.04 1.68 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 71.299999999999997 110.994 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -102.51 -71.23 0.73 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 72.530000000000001 109.332 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -167.53 30.67 0.18 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.44 1.088 . . . . 65.25 110.998 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.539 HD11 ' CE1' ' A' ' 11' ' ' TYR . 0.8 OUTLIER -135.87 138.72 47.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.491 0.759 . . . . 72.019999999999996 109.289 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.5 m -70.84 108.16 4.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.163 . . . . 74.439999999999998 110.383 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.539 ' CE1' HD11 ' A' ' 9' ' ' ILE . 2.8 m-85 -80.92 148.6 29.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 65.25 111.047 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 75.25 110.294 -179.979 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.65 ' CD1' ' N ' ' A' ' 23' ' ' ALA . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.487 0.185 . . . . 71.25 110.986 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.65 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -50.58 -48.88 57.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 73.200000000000003 109.32 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.83 -48.72 4.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 65.219999999999999 109.289 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.3 mtp180 -66.86 -40.17 87.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 71.409999999999997 110.27 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 16.1 mm -52.01 -51.22 31.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 64.019999999999996 109.282 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -46.55 -53.23 11.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 71.420000000000002 109.271 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -48.36 -59.54 3.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.557 1.161 . . . . 72.209999999999994 110.35 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -44.68 -55.17 5.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 73.140000000000001 109.292 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 28.6 mtp . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 71.329999999999998 110.999 -179.961 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.307 -0.627 . . . . 64.010000000000005 109.307 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.801 ' CZ2' ' CD2' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -149.53 -175.02 4.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 72.530000000000001 108.014 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.457 ' HA ' ' O ' ' A' ' 9' ' ' ILE . 2.5 m -134.91 101.3 4.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 73.340000000000003 110.431 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -115.53 98.44 6.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 74.420000000000002 111.014 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.2 t30 65.87 54.39 1.04 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 73.530000000000001 109.263 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 54.48 57.15 18.54 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.549 1.155 . . . . 62.420000000000002 111.036 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.463 HG21 ' CE1' ' A' ' 11' ' ' TYR . 0.9 OUTLIER -137.98 148.88 24.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.507 0.769 . . . . 65.319999999999993 109.281 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.3 m -121.2 110.55 16.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 72.109999999999999 110.386 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.801 ' CD2' ' CZ2' ' A' ' 4' ' ' TRP . 9.6 m-85 -88.09 151.84 22.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.1 . . . . 75.0 110.987 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.113 . . . . 74.409999999999997 110.313 179.96 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.656 ' CD1' ' N ' ' A' ' 23' ' ' ALA . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 CA-C-O 120.515 0.198 . . . . 72.430000000000007 111.024 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.656 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -44.44 -26.54 0.36 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 71.450000000000003 109.299 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.417 ' N ' ' C ' ' A' ' 22' ' ' TYR . 9.2 tppt? -74.54 -63.24 1.28 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 74.450000000000003 109.304 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.484 ' HG3' ' N ' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -47.32 -27.7 1.7 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 75.120000000000005 110.301 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.484 ' N ' ' HG3' ' A' ' 25' ' ' ARG . 6.2 mm -57.0 -57.75 8.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 62.109999999999999 109.32 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -49.35 -50.86 38.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 42.140000000000001 109.292 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -50.01 -59.87 3.47 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.527 1.142 . . . . 75.409999999999997 110.327 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -49.02 -59.68 3.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 73.540000000000006 109.26 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 2.0 mtt . . . . . 0 C--N 1.324 -0.529 0 O-C-N 124.504 1.127 . . . . 74.409999999999997 110.993 179.983 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.534 ' HA ' HG23 ' A' ' 10' ' ' THR . 32.6 ttmt . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.321 -0.622 . . . . 73.310000000000002 109.321 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.543 ' CZ3' ' HB2' ' A' ' 6' ' ' TYR . 2.6 p-90 -90.43 175.12 7.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 74.209999999999994 108.025 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.4 p -125.02 112.5 16.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 64.049999999999997 110.406 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.543 ' HB2' ' CZ3' ' A' ' 4' ' ' TRP . 3.8 t80 -103.6 -55.07 2.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 65.299999999999997 110.995 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -115.96 43.38 2.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 52.530000000000001 109.264 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 67.27 31.25 76.77 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.497 1.123 . . . . 72.129999999999995 111.008 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.544 HD11 ' CE1' ' A' ' 11' ' ' TYR . 0.7 OUTLIER -143.39 140.48 26.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.514 0.773 . . . . 73.540000000000006 109.271 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.534 HG23 ' HA ' ' A' ' 3' ' ' LYS . 1.2 m -73.54 109.03 6.74 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.116 . . . . 74.340000000000003 110.364 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.544 ' CE1' HD11 ' A' ' 9' ' ' ILE . 2.8 m-85 -81.06 151.65 28.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 73.120000000000005 110.958 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 74.329999999999998 110.356 179.92 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.598 ' CG ' ' N ' ' A' ' 23' ' ' ALA . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.347 0 CA-C-O 120.552 0.215 . . . . 75.310000000000002 111.027 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.598 ' N ' ' CG ' ' A' ' 22' ' ' TYR . . . -41.59 -53.32 3.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 70.409999999999997 109.315 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -49.39 -52.89 25.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 74.400000000000006 109.321 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.8 mmm180 -51.94 -43.62 63.56 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.47 1.106 . . . . 71.120000000000005 110.286 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.443 ' N ' HD13 ' A' ' 26' ' ' ILE . 5.7 mm -51.28 -63.55 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 71.150000000000006 109.315 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -45.31 -50.67 11.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 61.100000000000001 109.281 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -50.09 -62.83 1.35 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 74.129999999999995 110.328 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -41.88 -61.42 1.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.56 1.162 . . . . 74.010000000000005 109.329 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 37.8 mtt . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 74.519999999999996 111.003 179.964 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.856 ' CB ' HG23 ' A' ' 10' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.292 -0.633 . . . . 75.549999999999997 109.292 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.799 ' CZ2' ' CD2' ' A' ' 11' ' ' TYR . 43.7 p-90 -127.22 106.16 9.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 71.109999999999999 107.986 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.2 p -78.43 99.36 6.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.095 . . . . 62.399999999999999 110.395 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.496 ' HB2' ' CZ3' ' A' ' 4' ' ' TRP . 0.8 OUTLIER -96.21 -62.26 1.31 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 64.549999999999997 111.01 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ASN . . . . . 0.559 ' O ' HG22 ' A' ' 9' ' ' ILE . 7.5 t30 -114.46 46.49 1.37 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 54.200000000000003 109.281 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 62.39 33.08 85.15 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.499 1.124 . . . . 55.450000000000003 110.985 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.951 HD12 ' N ' ' A' ' 10' ' ' THR . 0.1 OUTLIER -136.27 132.74 49.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.495 0.762 . . . . 65.530000000000001 109.317 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.951 ' N ' HD12 ' A' ' 9' ' ' ILE . 8.6 m -89.39 107.39 19.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.434 1.084 . . . . 74.349999999999994 110.379 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.799 ' CD2' ' CZ2' ' A' ' 4' ' ' TRP . 6.6 m-85 -81.87 -81.32 0.14 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.417 1.073 . . . . 74.420000000000002 111.007 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.47 ' HB2' ' CG ' ' A' ' 3' ' ' LYS . 1.1 tm-20 . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 75.109999999999999 110.327 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.647 ' CD1' ' N ' ' A' ' 23' ' ' ALA . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.466 0.174 . . . . 72.109999999999999 111.005 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.647 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -40.32 -51.45 2.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 74.230000000000004 109.33 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.54 -59.2 4.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 72.340000000000003 109.304 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 24.0 mtp180 -43.83 -42.09 5.44 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 73.319999999999993 110.285 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.59 ' N ' HD13 ' A' ' 26' ' ' ILE . 3.3 mm -55.43 -61.37 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 72.25 109.308 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -44.82 -46.78 10.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 73.150000000000006 109.262 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -56.19 -63.06 1.31 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 73.209999999999994 110.296 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -44.23 -56.93 3.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 74.019999999999996 109.311 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 2.0 mtm . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 75.420000000000002 110.996 179.954 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.315 -0.624 . . . . 74.099999999999994 109.315 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.526 ' CZ3' ' HB2' ' A' ' 6' ' ' TYR . 9.3 p-90 -120.85 -172.91 2.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 72.200000000000003 107.978 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.462 ' CG2' ' HA2' ' A' ' 8' ' ' GLY . 89.6 m -148.58 112.64 5.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 61.030000000000001 110.382 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.526 ' HB2' ' CZ3' ' A' ' 4' ' ' TRP . 7.2 t80 -84.66 -56.61 3.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 75.109999999999999 110.967 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ASN . . . . . 0.612 ' H ' HD12 ' A' ' 9' ' ' ILE . 0.1 OUTLIER -133.62 13.96 4.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.561 1.163 . . . . 73.140000000000001 109.328 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.462 ' HA2' ' CG2' ' A' ' 5' ' ' THR . . . 99.67 46.61 1.92 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.518 1.136 . . . . 62.43 110.998 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.612 HD12 ' H ' ' A' ' 7' ' ' ASN . 2.7 mp -112.99 -19.62 6.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.474 0.749 . . . . 70.530000000000001 109.268 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.764 HG22 ' O ' ' A' ' 10' ' ' THR . 1.5 m 65.15 54.97 1.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 61.240000000000002 110.416 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.555 ' HE1' HD13 ' A' ' 9' ' ' ILE . 8.3 m-85 -57.85 135.85 56.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 74.430000000000007 110.989 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 19.6 pt-20 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 71.310000000000002 110.312 -179.987 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.552 ' CE2' HG13 ' A' ' 26' ' ' ILE . 14.4 p90 . . . . . 0 N--CA 1.453 -0.277 0 CA-C-O 120.455 0.169 . . . . 73.099999999999994 110.945 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.403 ' N ' ' CG ' ' A' ' 22' ' ' TYR . . . -40.59 -51.57 2.95 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.48 1.112 . . . . 44.439999999999998 109.274 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.8 ptmt -47.62 -44.4 26.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.459 1.099 . . . . 74.040000000000006 109.306 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.479 ' N ' ' O ' ' A' ' 22' ' ' TYR . 1.9 mmp_? -67.49 -39.59 85.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 63.130000000000003 110.331 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.552 HG13 ' CE2' ' A' ' 22' ' ' TYR . 18.8 mm -51.13 -61.0 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.537 1.148 . . . . 73.219999999999999 109.315 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -48.09 -53.88 15.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 62.310000000000002 109.288 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -45.65 -61.22 1.8 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.103 . . . . 73.040000000000006 110.288 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -50.13 -61.56 2.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 71.549999999999997 109.326 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.1 mtt . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 72.329999999999998 110.961 179.979 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.318 -0.623 . . . . 71.5 109.318 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.767 ' CH2' ' CG ' ' A' ' 11' ' ' TYR . 11.0 p-90 -154.39 -175.04 5.21 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.017 -1.105 . . . . 74.25 108.017 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.2 m -151.13 105.05 3.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 62.219999999999999 110.356 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 39.8 t80 -98.43 -63.17 1.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 72.109999999999999 110.965 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ASN . . . . . 0.432 ' O ' HG22 ' A' ' 9' ' ' ILE . 8.2 m-20 -112.09 47.89 1.02 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.5 1.125 . . . . 75.109999999999999 109.292 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 61.58 32.84 82.81 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.481 1.113 . . . . 54.109999999999999 110.956 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.777 HD12 ' N ' ' A' ' 10' ' ' THR . 0.1 OUTLIER -129.33 126.05 63.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.468 0.746 . . . . 75.349999999999994 109.313 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.777 ' N ' HD12 ' A' ' 9' ' ' ILE . 1.1 m -82.9 117.46 22.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 71.230000000000004 110.392 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.767 ' CG ' ' CH2' ' A' ' 4' ' ' TRP . 24.2 m-85 -97.12 156.11 16.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 74.219999999999999 111.025 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 75.540000000000006 110.318 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.61 ' CG ' ' N ' ' A' ' 23' ' ' ALA . 1.2 p90 . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.466 0.174 . . . . 64.340000000000003 110.979 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.61 ' N ' ' CG ' ' A' ' 22' ' ' TYR . . . -39.47 -29.47 0.05 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 64.319999999999993 109.279 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.461 ' N ' ' C ' ' A' ' 22' ' ' TYR . 3.2 ttmt -75.17 -53.93 7.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 75.519999999999996 109.29 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.533 ' HG3' ' N ' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -58.08 -23.47 54.78 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 73.040000000000006 110.307 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.568 HG13 ' CE1' ' A' ' 22' ' ' TYR . 27.8 mm -58.3 -57.4 10.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.556 1.16 . . . . 72.150000000000006 109.285 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.03 -53.64 53.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.163 . . . . 61.229999999999997 109.323 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -45.95 -60.24 2.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.153 . . . . 64.219999999999999 110.295 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.513 ' CB ' ' NH2' ' A' ' 25' ' ' ARG . . . -41.04 -63.52 0.66 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 55.140000000000001 109.309 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 74.299999999999997 111.064 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.706 ' CB ' HG23 ' A' ' 10' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.309 -0.626 . . . . 73.549999999999997 109.309 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.666 ' CZ2' ' CD2' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -111.78 -10.84 14.01 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.558 1.161 . . . . 62.119999999999997 107.995 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.447 ' O ' HG22 ' A' ' 5' ' ' THR . 50.7 m 60.69 54.98 3.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 74.510000000000005 110.398 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.598 ' HB2' ' CE3' ' A' ' 4' ' ' TRP . 1.0 OUTLIER -82.83 151.46 26.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 71.109999999999999 111.008 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 49.46 25.6 1.4 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 75.129999999999995 109.265 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 68.51 37.46 85.41 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.485 1.116 . . . . 63.109999999999999 110.993 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.544 HD11 ' CE1' ' A' ' 11' ' ' TYR . 0.7 OUTLIER -148.3 141.15 18.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.505 0.768 . . . . 63.0 109.265 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.706 HG23 ' CB ' ' A' ' 3' ' ' LYS . 1.0 OUTLIER -81.2 119.81 24.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 53.329999999999998 110.359 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.666 ' CD2' ' CZ2' ' A' ' 4' ' ' TRP . 3.6 m-85 -87.65 160.63 18.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 71.540000000000006 110.972 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 75.549999999999997 110.292 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.568 ' CD1' ' N ' ' A' ' 23' ' ' ALA . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.263 0 CA-C-O 120.54 0.21 . . . . 74.319999999999993 111.012 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.568 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -52.35 -50.13 62.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 65.209999999999994 109.301 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.718 ' HG2' HH21 ' A' ' 25' ' ' ARG . 1.7 tttt -41.48 -48.22 3.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 75.430000000000007 109.253 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.718 HH21 ' HG2' ' A' ' 24' ' ' LYS . 5.4 mmp_? -67.86 -43.38 79.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 75.519999999999996 110.244 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 10.4 mm -46.61 -58.51 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 62.420000000000002 109.3 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -47.47 -54.29 11.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.46 1.1 . . . . 75.150000000000006 109.271 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -48.16 -61.41 2.0 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 75.349999999999994 110.274 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -45.38 -63.97 0.83 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.095 . . . . 51.119999999999997 109.318 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 44.420000000000002 110.948 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.487 ' H2 ' ' C ' ' A' ' 14' ' ' GLY . 3.5 ttp85 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.303 -0.258 . . . . 64.239999999999995 110.303 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 90.91 118.38 2.09 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.555 1.159 . . . . 54.009999999999998 111.032 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.489 ' HB2' HG23 ' A' ' 10' ' ' THR . 0.0 OUTLIER -54.09 145.32 17.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 0.787 . . . . 75.420000000000002 109.322 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.659 ' CZ2' ' CD2' ' A' ' 11' ' ' TYR . 1.5 p-90 -107.98 -174.23 2.47 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.548 1.155 . . . . 75.109999999999999 107.974 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.6 p -138.25 107.81 6.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 72.310000000000002 110.404 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.575 ' HB2' ' CZ3' ' A' ' 4' ' ' TRP . 7.8 t80 -92.96 -62.81 1.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 74.329999999999998 110.985 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.41 ' O ' HG22 ' A' ' 9' ' ' ILE . 32.0 m-20 -131.12 55.39 1.85 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 73.329999999999998 109.275 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 67.34 23.52 73.39 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.449 1.093 . . . . 53.039999999999999 111.014 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.79 HD12 ' N ' ' A' ' 10' ' ' THR . 0.1 OUTLIER -125.69 122.11 61.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.483 0.754 . . . . 62.009999999999998 109.325 179.941 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.79 ' N ' HD12 ' A' ' 9' ' ' ILE . 0.8 OUTLIER -78.19 112.24 14.96 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 74.400000000000006 110.403 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.659 ' CD2' ' CZ2' ' A' ' 4' ' ' TRP . 5.7 m-85 -87.15 156.16 19.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 75.510000000000005 110.976 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -125.95 165.57 18.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.567 1.167 . . . . 55.210000000000001 110.311 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 105.67 62.93 0.63 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.452 1.095 . . . . 62.5 111.021 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.487 ' C ' ' H2 ' ' A' ' 1' ' ' ARG . . . 55.78 -101.33 0.12 Allowed Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.975 -0.85 . . . . 73.409999999999997 110.975 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -140.7 167.0 25.73 Favored Glycine 0 CA--C 1.531 1.044 0 N-CA-C 110.987 -0.845 . . . . 64.530000000000001 110.987 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -106.29 115.52 4.79 Favored Glycine 0 CA--C 1.53 1.031 0 N-CA-C 110.973 -0.851 . . . . 74.200000000000003 110.973 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.03 164.03 13.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 0.744 . . . . 75.150000000000006 110.056 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -97.17 -39.05 9.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 74.420000000000002 109.31 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.65 -32.18 73.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 65.200000000000003 109.293 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 23' ' ' ALA . 0.6 OUTLIER -58.97 -15.51 13.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 63.32 110.326 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 20' ' ' GLU . . . -39.94 -50.95 2.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 52.509999999999998 109.303 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.602 ' C ' ' CD1' ' A' ' 22' ' ' TYR . 0.2 OUTLIER -69.33 -35.7 76.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.103 . . . . 73.129999999999995 111.039 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.463 ' N ' ' CG ' ' A' ' 22' ' ' TYR . . . -58.29 -61.2 2.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 71.430000000000007 109.278 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.547 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 1.0 OUTLIER -40.21 -42.53 1.5 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 72.329999999999998 109.273 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 34.1 mtp85 -66.16 -53.25 39.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 73.310000000000002 110.267 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.484 HD12 ' HE1' ' A' ' 22' ' ' TYR . 6.2 mt -52.68 -24.38 6.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 62.030000000000001 109.279 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.547 ' HB3' ' O ' ' A' ' 24' ' ' LYS . . . -40.41 -35.93 0.49 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 72.340000000000003 109.299 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -74.82 -59.55 2.68 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 71.239999999999995 110.296 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -40.53 -45.59 2.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 53.450000000000003 109.303 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.2 mtm -47.75 -55.26 9.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 73.530000000000001 110.982 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.4 148.9 35.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 62.399999999999999 109.311 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.5 tttt -165.06 160.17 18.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 72.450000000000003 109.272 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.508 1.13 . . . . 52.100000000000001 110.992 -179.987 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 22.3 mmt-85 . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 110.312 -0.255 . . . . 63.140000000000001 110.312 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 172.69 97.28 0.11 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.487 1.117 . . . . 71.299999999999997 110.972 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.9 158.61 3.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 0.771 . . . . 70.120000000000005 109.316 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.576 ' CE3' ' HB2' ' A' ' 6' ' ' TYR . 7.8 p-90 -124.06 105.67 9.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 72.209999999999994 108.01 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 23.8 m -67.55 94.43 0.41 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.135 . . . . 72.109999999999999 110.374 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.576 ' HB2' ' CE3' ' A' ' 4' ' ' TRP . 0.3 OUTLIER -111.52 134.18 53.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 74.230000000000004 110.987 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.3 t30 68.83 24.99 6.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 53.409999999999997 109.353 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 70.42 32.29 68.19 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.476 1.11 . . . . 63.109999999999999 110.989 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.985 HD11 ' CE1' ' A' ' 11' ' ' TYR . 0.7 OUTLIER -146.62 140.5 20.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.474 0.749 . . . . 63.049999999999997 109.335 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -94.55 137.41 33.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 74.129999999999995 110.409 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.985 ' CE1' HD11 ' A' ' 9' ' ' ILE . 3.7 m-85 -100.48 -175.43 2.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 72.239999999999995 111.019 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -114.39 -47.95 2.9 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.151 . . . . 73.510000000000005 110.325 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 136.34 58.79 0.06 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.43 1.081 . . . . 75.099999999999994 110.984 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 39.94 -149.95 0.12 Allowed Glycine 0 CA--C 1.53 0.988 0 N-CA-C 111.033 -0.827 . . . . 52.119999999999997 111.033 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -91.36 53.7 3.14 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.972 -0.851 . . . . 61.340000000000003 110.972 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 154.62 -118.49 0.86 Allowed Glycine 0 CA--C 1.529 0.962 0 N-CA-C 111.008 -0.837 . . . . 73.150000000000006 111.008 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.0 t -152.67 164.29 38.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 0.742 . . . . 74.400000000000006 110.021 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -102.93 -37.28 7.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 24.210000000000001 109.299 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.413 ' C ' ' N ' ' A' ' 21' ' ' ALA . . . -67.63 -20.84 65.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.091 . . . . 72.530000000000001 109.3 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -43.21 -27.16 0.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 74.439999999999998 110.304 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.413 ' N ' ' C ' ' A' ' 19' ' ' ALA . . . -40.78 -52.27 3.01 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.503 1.127 . . . . 63.340000000000003 109.275 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.642 ' CD1' ' N ' ' A' ' 23' ' ' ALA . 0.5 OUTLIER -120.56 -39.74 2.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 71.340000000000003 110.97 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.642 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -49.21 -45.47 44.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 61.109999999999999 109.277 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.811 ' HD2' HH21 ' A' ' 25' ' ' ARG . 0.0 OUTLIER -53.35 -44.88 68.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.567 1.167 . . . . 73.319999999999993 109.307 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.811 HH21 ' HD2' ' A' ' 24' ' ' LYS . 1.1 mmp_? -65.44 -35.95 82.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 73.510000000000005 110.302 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.7 mm -56.79 -55.12 21.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 55.229999999999997 109.309 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -46.06 -50.39 15.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 74.400000000000006 109.26 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -51.73 -61.06 2.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.1 . . . . 74.420000000000002 110.349 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -45.86 -58.66 3.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 62.210000000000001 109.294 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -42.57 -54.28 4.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 72.329999999999998 110.976 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 53.6 42.24 31.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 32.439999999999998 109.308 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.0 tttp 69.29 25.09 5.69 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.459 1.099 . . . . 75.329999999999998 109.261 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.521 1.138 . . . . 43.340000000000003 111.018 179.983 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.276 -0.268 . . . . 70.140000000000001 110.276 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 62.43 173.97 1.99 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.495 1.122 . . . . 60.219999999999999 111.014 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.522 ' CB ' HG23 ' A' ' 10' ' ' THR . 0.0 OUTLIER -57.16 147.58 24.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 0.785 . . . . 75.239999999999995 109.289 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.583 ' CZ3' ' HB2' ' A' ' 6' ' ' TYR . 1.4 p-90 -113.68 -174.55 2.49 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.974 -1.121 . . . . 73.319999999999993 107.974 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.6 p -135.6 107.39 7.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 53.049999999999997 110.407 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.583 ' HB2' ' CZ3' ' A' ' 4' ' ' TRP . 2.5 t80 -95.24 -55.34 3.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 74.099999999999994 110.972 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -104.22 -70.05 0.78 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 75.310000000000002 109.316 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -174.24 33.01 0.1 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.538 1.149 . . . . 75.129999999999995 111.021 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.908 HD12 ' N ' ' A' ' 10' ' ' THR . 0.0 OUTLIER -143.62 120.43 5.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.541 0.789 . . . . 60.119999999999997 109.31 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.908 ' N ' HD12 ' A' ' 9' ' ' ILE . 1.3 m -44.73 94.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 65.439999999999998 110.413 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.518 ' CD1' ' O ' ' A' ' 9' ' ' ILE . 5.4 m-30 -78.71 141.03 38.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 72.340000000000003 110.989 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.01 -32.6 13.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 72.549999999999997 110.308 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 80.69 119.27 0.41 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.444 1.09 . . . . 72.040000000000006 111.025 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -88.61 -105.32 1.01 Allowed Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.038 -0.825 . . . . 74.299999999999997 111.038 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -113.57 84.38 0.36 Allowed Glycine 0 CA--C 1.53 0.973 0 N-CA-C 110.996 -0.842 . . . . 50.409999999999997 110.996 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.73 -165.13 0.99 Allowed Glycine 0 CA--C 1.531 1.032 0 N-CA-C 111.003 -0.839 . . . . 71.430000000000007 111.003 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -93.37 136.04 34.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 0.792 . . . . 74.510000000000005 109.972 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.529 ' O ' ' HB3' ' A' ' 21' ' ' ALA . . . -48.23 -56.74 7.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 72.430000000000007 109.297 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.41 ' O ' ' N ' ' A' ' 21' ' ' ALA . . . -58.45 -56.86 16.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 73.540000000000006 109.307 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.445 ' HA ' ' HB3' ' A' ' 23' ' ' ALA . 0.4 OUTLIER -40.13 -29.64 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 72.409999999999997 110.288 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.529 ' HB3' ' O ' ' A' ' 18' ' ' ALA . . . -45.21 -63.09 1.01 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 64.510000000000005 109.337 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.653 ' CD1' ' N ' ' A' ' 23' ' ' ALA . 0.6 OUTLIER -91.1 -40.01 11.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.107 . . . . 75.409999999999997 110.97 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.653 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -46.71 -46.21 20.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 65.439999999999998 109.29 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.0 -45.52 82.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 64.319999999999993 109.333 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 40.4 mtp180 -61.59 -35.79 78.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.117 . . . . 63.350000000000001 110.284 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.2 mm -57.22 -54.99 23.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 74.450000000000003 109.287 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -45.99 -49.34 16.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 60.439999999999998 109.298 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.439 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 5.5 mt-10 -54.35 -60.63 3.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 74.430000000000007 110.329 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -46.24 -59.33 2.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 62.109999999999999 109.285 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 19.2 mtm -38.35 -53.59 1.49 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 73.349999999999994 111.049 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.439 ' HB3' ' O ' ' A' ' 28' ' ' GLU . . . -41.99 -61.59 1.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 64.040000000000006 109.328 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.5 tppp? -48.46 -63.38 1.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 72.400000000000006 109.324 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.511 1.132 . . . . 62.439999999999998 110.959 179.937 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 33.0 ptt-85 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.271 -0.27 . . . . 71.230000000000004 110.271 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 172.46 135.17 1.92 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.516 1.135 . . . . 74.129999999999995 110.984 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.475 ' HB2' ' CG2' ' A' ' 10' ' ' THR . 0.0 OUTLIER -56.94 151.69 14.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 0.779 . . . . 72.420000000000002 109.272 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.513 ' CZ3' ' HB2' ' A' ' 6' ' ' TYR . 3.0 p-90 -129.53 152.74 48.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 72.400000000000006 108.0 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 32.8 m -112.84 100.8 8.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 64.25 110.375 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.513 ' HB2' ' CZ3' ' A' ' 4' ' ' TRP . 3.7 t80 -102.3 -53.41 2.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.125 . . . . 73.299999999999997 111.037 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.524 ' O ' HG22 ' A' ' 9' ' ' ILE . 18.7 t-20 -103.82 27.91 7.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 35.240000000000002 109.299 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 69.8 14.5 70.33 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.455 1.097 . . . . 64.519999999999996 110.986 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.733 HD12 ' N ' ' A' ' 10' ' ' THR . 0.1 OUTLIER -127.82 122.02 57.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.566 0.804 . . . . 62.219999999999999 109.331 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.733 ' N ' HD12 ' A' ' 9' ' ' ILE . 17.4 m -72.23 116.29 12.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 62.5 110.428 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.607 ' CE1' ' O ' ' A' ' 9' ' ' ILE . 3.6 m-85 -88.31 -63.88 1.23 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 73.310000000000002 111.017 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.406 ' CB ' ' HA ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -68.95 175.59 3.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 72.409999999999997 110.28 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 84.35 -123.43 6.23 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.517 1.136 . . . . 30.149999999999999 111.024 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 69.02 176.95 13.68 Favored Glycine 0 CA--C 1.529 0.955 0 N-CA-C 111.043 -0.823 . . . . 65.150000000000006 111.043 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -163.95 -71.23 0.02 OUTLIER Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.963 -0.855 . . . . 44.549999999999997 110.963 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.475 ' O ' ' N ' ' A' ' 18' ' ' ALA . . . -160.74 128.68 1.99 Allowed Glycine 0 CA--C 1.53 1.024 0 N-CA-C 111.031 -0.828 . . . . 43.32 111.031 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.51 ' CB ' ' HB2' ' A' ' 20' ' ' GLU . 26.0 m -63.67 75.01 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 0.792 . . . . 75.25 110.018 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.475 ' N ' ' O ' ' A' ' 16' ' ' GLY . . . -59.71 -47.16 86.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.411 1.07 . . . . 71.120000000000005 109.277 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.466 ' O ' ' CD2' ' A' ' 22' ' ' TYR . . . -117.25 -7.88 11.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 74.120000000000005 109.29 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.739 ' HA ' ' HB3' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -66.63 -21.11 66.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 71.219999999999999 110.335 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -48.05 -41.35 25.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 64.400000000000006 109.308 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.65 ' CD1' ' N ' ' A' ' 23' ' ' ALA . 0.6 OUTLIER -97.85 -39.46 9.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 73.200000000000003 110.955 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.739 ' HB3' ' HA ' ' A' ' 20' ' ' GLU . . . -46.92 -39.84 13.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.122 . . . . 72.450000000000003 109.28 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.42 ' HG3' ' N ' ' A' ' 25' ' ' ARG . 1.1 ptpt -59.24 -48.73 80.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 64.209999999999994 109.292 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.42 ' N ' ' HG3' ' A' ' 24' ' ' LYS . 1.0 OUTLIER -60.64 -32.7 71.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 74.319999999999993 110.289 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.9 mm -60.59 -58.22 8.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 54.520000000000003 109.291 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -48.07 -48.74 33.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 63.240000000000002 109.33 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -53.28 -60.02 3.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 74.140000000000001 110.328 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -40.58 -63.17 0.67 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.11 . . . . 72.450000000000003 109.306 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -41.05 -59.66 1.41 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 70.219999999999999 110.995 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 49.38 30.82 3.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 61.439999999999998 109.309 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -87.73 149.82 23.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 74.450000000000003 109.292 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.512 1.133 . . . . 54.409999999999997 111.0 -179.988 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.321 -0.251 . . . . 70.430000000000007 110.321 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 152.19 81.26 0.03 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.474 1.109 . . . . 74.040000000000006 110.952 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.731 ' HB2' HG22 ' A' ' 10' ' ' THR . 0.1 OUTLIER -54.98 139.85 39.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 0.766 . . . . 74.140000000000001 109.32 179.943 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.517 ' CZ3' ' HB2' ' A' ' 6' ' ' TYR . 1.7 p-90 -115.22 -174.46 2.51 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.985 -1.117 . . . . 74.239999999999995 107.985 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 32.4 m -146.71 105.01 3.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 74.340000000000003 110.394 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.517 ' HB2' ' CZ3' ' A' ' 4' ' ' TRP . 0.7 OUTLIER -92.64 -63.68 1.2 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 74.430000000000007 110.982 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -77.36 -75.23 0.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 73.239999999999995 109.29 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.53 ' O ' HG23 ' A' ' 9' ' ' ILE . . . -177.34 34.72 0.08 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.483 1.115 . . . . 75.129999999999995 111.045 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.614 ' O ' ' CE1' ' A' ' 11' ' ' TYR . 2.3 pp -156.0 141.49 9.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.479 0.752 . . . . 62.43 109.299 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.731 HG22 ' HB2' ' A' ' 3' ' ' LYS . 2.3 m -78.4 133.65 37.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 71.409999999999997 110.35 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.614 ' CE1' ' O ' ' A' ' 9' ' ' ILE . 1.8 m-85 -97.56 -63.65 1.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 74.340000000000003 110.977 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -68.82 169.18 11.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 71.319999999999993 110.279 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 118.01 -170.8 13.76 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.526 1.141 . . . . 74.310000000000002 110.992 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -140.96 175.5 22.13 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 110.979 -0.848 . . . . 34.140000000000001 110.979 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 98.87 -133.39 11.28 Favored Glycine 0 CA--C 1.53 0.978 0 N-CA-C 111.001 -0.84 . . . . 54.130000000000003 111.001 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -105.31 -146.72 14.93 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.021 -0.831 . . . . 63.350000000000001 111.021 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.442 ' O ' ' CG ' ' A' ' 20' ' ' GLU . 0.2 OUTLIER -85.3 171.17 12.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 0.763 . . . . 71.430000000000007 109.985 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.445 ' O ' ' CB ' ' A' ' 21' ' ' ALA . . . -40.18 -30.01 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 63.240000000000002 109.313 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.436 ' N ' ' C ' ' A' ' 17' ' ' SER . . . -53.92 -51.85 62.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 63.5 109.324 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.618 ' HA ' ' HB3' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -40.01 -29.21 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.135 . . . . 73.209999999999994 110.33 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.445 ' CB ' ' O ' ' A' ' 18' ' ' ALA . . . -40.6 -61.05 1.0 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.553 1.158 . . . . 64.230000000000004 109.281 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.655 ' CD1' ' N ' ' A' ' 23' ' ' ALA . 0.6 OUTLIER -74.34 -43.14 57.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.16 . . . . 75.340000000000003 111.001 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.655 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -40.05 -29.67 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 65.030000000000001 109.312 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.458 ' N ' ' C ' ' A' ' 22' ' ' TYR . 4.5 mttt -68.93 -55.7 10.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 51.509999999999998 109.302 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.489 ' HG3' ' N ' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -53.05 -27.96 22.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.107 . . . . 65.5 110.33 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.489 ' N ' ' HG3' ' A' ' 25' ' ' ARG . 5.3 mm -64.81 -62.61 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.422 1.076 . . . . 72.099999999999994 109.292 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -43.72 -48.75 7.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 72.439999999999998 109.31 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -51.16 -60.11 3.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 62.049999999999997 110.347 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -41.36 -59.5 1.54 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 73.040000000000006 109.302 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -46.21 -55.46 7.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 73.120000000000005 110.996 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.51 113.2 7.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 51.32 109.327 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.92 170.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 71.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.447 1.092 . . . . 63.0 111.007 -179.998 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.295 -0.261 . . . . 74.230000000000004 110.295 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 154.23 -74.47 0.24 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.511 1.132 . . . . 53.530000000000001 110.968 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.812 ' HB3' HG23 ' A' ' 10' ' ' THR . 0.0 OUTLIER -70.05 150.2 46.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 0.759 . . . . 73.140000000000001 109.313 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.506 ' CZ3' ' HB2' ' A' ' 6' ' ' TYR . 10.8 p-90 -126.8 147.94 49.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 64.519999999999996 108.006 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.2 p -115.71 103.57 10.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 63.32 110.38 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.506 ' HB2' ' CZ3' ' A' ' 4' ' ' TRP . 2.5 t80 -92.94 -41.84 9.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 75.030000000000001 111.001 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -101.53 -77.78 0.54 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 65.400000000000006 109.299 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.662 ' O ' HG23 ' A' ' 9' ' ' ILE . . . -169.23 28.31 0.14 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.514 1.134 . . . . 41.530000000000001 110.991 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.662 HG23 ' O ' ' A' ' 8' ' ' GLY . 2.3 pp -158.83 146.56 7.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.511 0.771 . . . . 61.420000000000002 109.266 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.812 HG23 ' HB3' ' A' ' 3' ' ' LYS . 0.7 OUTLIER -80.82 130.08 34.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.444 1.09 . . . . 75.510000000000005 110.427 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.614 ' CE1' ' O ' ' A' ' 9' ' ' ILE . 1.6 m-30 -94.53 -64.06 1.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 73.299999999999997 110.994 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.494 ' O ' ' CG ' ' A' ' 3' ' ' LYS . 8.5 pt-20 -84.45 165.18 18.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 71.340000000000003 110.301 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 147.56 -173.12 27.77 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.468 1.105 . . . . 63.020000000000003 111.006 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -81.47 150.08 29.58 Favored Glycine 0 CA--C 1.531 1.059 0 N-CA-C 111.017 -0.833 . . . . 72.420000000000002 111.017 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -168.78 -72.28 0.03 OUTLIER Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.023 -0.831 . . . . 64.409999999999997 111.023 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -42.28 158.45 0.06 OUTLIER Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.997 -0.841 . . . . 54.240000000000002 110.997 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 34.2 m -62.81 153.06 34.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 0.785 . . . . 72.430000000000007 109.988 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.59 -30.0 68.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 34.32 109.266 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.607 ' HB1' ' CE2' ' A' ' 22' ' ' TYR . . . -56.78 -23.27 42.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 71.530000000000001 109.306 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.553 ' HA ' ' HB3' ' A' ' 23' ' ' ALA . 13.8 pt-20 -45.0 -27.39 0.54 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 73.540000000000006 110.317 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -49.68 -71.22 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 73.420000000000002 109.299 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.62 ' CD1' ' N ' ' A' ' 23' ' ' ALA . 0.5 OUTLIER -67.4 -42.86 82.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 75.209999999999994 110.978 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.62 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -43.86 -43.16 6.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 72.030000000000001 109.293 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.14 -44.98 96.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 74.5 109.256 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.412 ' N ' ' O ' ' A' ' 22' ' ' TYR . 7.1 mmm180 -58.73 -40.13 82.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.158 . . . . 73.0 110.283 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.496 ' N ' HD13 ' A' ' 26' ' ' ILE . 4.7 mm -54.62 -63.46 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 62.109999999999999 109.266 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -44.25 -49.04 9.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 63.020000000000003 109.308 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -51.81 -59.89 3.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 72.040000000000006 110.29 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -47.92 -59.12 3.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.428 1.08 . . . . 75.329999999999998 109.27 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 41.9 mtt -38.09 -54.75 1.33 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 60.140000000000001 110.988 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.45 90.51 0.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 65.030000000000001 109.268 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.33 -65.11 0.82 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 74.120000000000005 109.315 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.431 1.082 . . . . 75.030000000000001 111.005 -179.979 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.281 -0.266 . . . . 63.43 110.281 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -159.51 133.92 3.53 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.482 1.114 . . . . 50.350000000000001 110.991 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.653 ' HB3' HG23 ' A' ' 10' ' ' THR . 2.5 mttt -62.93 148.64 46.84 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 0.771 . . . . 74.430000000000007 109.285 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.575 ' CZ3' ' HB2' ' A' ' 6' ' ' TYR . 1.6 p-90 -110.24 -174.44 2.49 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.004 -1.11 . . . . 75.109999999999999 108.004 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 37.1 m -134.73 108.14 7.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 73.400000000000006 110.447 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.575 ' HB2' ' CZ3' ' A' ' 4' ' ' TRP . 2.5 t80 -95.74 -62.39 1.3 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.56 1.162 . . . . 73.219999999999999 110.971 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -107.15 40.86 1.58 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.089 . . . . 63.340000000000003 109.287 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.411 ' C ' ' CG2' ' A' ' 9' ' ' ILE . . . 66.55 37.38 92.54 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.467 1.104 . . . . 61.149999999999999 111.002 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.531 HD11 ' CE1' ' A' ' 11' ' ' TYR . 0.9 OUTLIER -151.44 139.36 14.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.524 0.779 . . . . 74.400000000000006 109.296 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.653 HG23 ' HB3' ' A' ' 3' ' ' LYS . 0.8 OUTLIER -71.37 109.63 5.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.15 . . . . 71.239999999999995 110.388 -179.942 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.531 ' CE1' HD11 ' A' ' 9' ' ' ILE . 3.0 m-30 -80.6 152.41 28.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 71.109999999999999 111.019 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -97.57 111.57 23.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 54.039999999999999 110.306 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -61.34 132.39 47.99 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.487 1.117 . . . . 53.049999999999997 111.039 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -98.05 157.76 20.61 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.0 -0.84 . . . . 75.340000000000003 111.0 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 107.17 -62.22 0.3 Allowed Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.025 -0.83 . . . . 61.439999999999998 111.025 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 52.73 79.55 0.08 OUTLIER Glycine 0 CA--C 1.53 0.971 0 N-CA-C 111.012 -0.835 . . . . 54.109999999999999 111.012 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -174.07 119.24 0.26 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 0.741 . . . . 73.420000000000002 110.025 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -43.46 -57.3 3.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 61.140000000000001 109.325 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -42.75 -44.22 4.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.443 1.089 . . . . 64.439999999999998 109.291 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.49 53.75 1.61 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 74.239999999999995 110.272 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -133.27 -55.6 0.91 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 75.209999999999994 109.271 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.648 ' CD1' ' N ' ' A' ' 23' ' ' ALA . 0.6 OUTLIER -95.55 -39.67 9.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 71.129999999999995 111.014 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.648 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -54.44 -50.29 68.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 74.310000000000002 109.322 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -50.27 -31.85 15.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 74.230000000000004 109.26 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 13.7 mmm180 -83.76 -25.13 30.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 73.409999999999997 110.323 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.415 ' N ' ' O ' ' A' ' 23' ' ' ALA . 6.9 mm -64.09 -58.31 7.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 63.409999999999997 109.268 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -48.25 -49.83 31.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 55.530000000000001 109.305 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -48.19 -60.7 2.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 73.209999999999994 110.298 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -47.31 -60.04 2.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 72.109999999999999 109.304 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.406 ' O ' ' N ' ' A' ' 33' ' ' GLY . 8.6 mtt -39.24 -59.85 0.98 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 75.439999999999998 111.025 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -40.82 135.36 1.69 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 74.209999999999994 109.296 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.1 mmtm 65.98 24.99 11.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 74.400000000000006 109.274 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 30' ' ' MET . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.535 1.147 . . . . 42.399999999999999 110.994 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.311 -0.255 . . . . 74.230000000000004 110.311 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -61.02 -144.89 0.01 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.47 1.107 . . . . 61.119999999999997 110.994 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.66 ' HB2' HG23 ' A' ' 10' ' ' THR . 0.0 OUTLIER -55.17 147.6 16.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 0.772 . . . . 74.439999999999998 109.275 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.579 ' CZ3' ' HB2' ' A' ' 6' ' ' TYR . 1.7 p-90 -117.51 -174.62 2.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 71.219999999999999 107.979 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.4 p -134.95 108.45 7.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 74.0 110.399 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.579 ' HB2' ' CZ3' ' A' ' 4' ' ' TRP . 2.7 t80 -95.61 -62.8 1.23 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 74.200000000000003 111.0 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -111.67 44.01 1.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 62.420000000000002 109.29 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 66.91 33.99 85.73 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.537 1.148 . . . . 63.210000000000001 111.02 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.549 HD11 ' CE1' ' A' ' 11' ' ' TYR . 0.7 OUTLIER -146.63 141.4 20.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.508 0.769 . . . . 65.549999999999997 109.25 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.66 HG23 ' HB2' ' A' ' 3' ' ' LYS . 0.8 OUTLIER -77.13 116.01 17.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 61.409999999999997 110.419 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.549 ' CE1' HD11 ' A' ' 9' ' ' ILE . 3.0 m-85 -85.48 157.43 20.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 65.209999999999994 111.009 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -95.74 -24.22 16.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 61.219999999999999 110.296 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 126.88 -66.45 0.56 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.53 1.144 . . . . 64.530000000000001 111.021 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 109.72 60.66 0.51 Allowed Glycine 0 CA--C 1.531 1.047 0 N-CA-C 110.996 -0.842 . . . . 60.310000000000002 110.996 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 70.87 -79.39 0.48 Allowed Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.004 -0.838 . . . . 63.310000000000002 111.004 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 164.8 -72.97 0.18 Allowed Glycine 0 CA--C 1.531 1.036 0 N-CA-C 111.022 -0.831 . . . . 45.299999999999997 111.022 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.19 127.62 32.55 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 0.777 . . . . 61.539999999999999 109.986 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -42.61 -47.47 5.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 74.120000000000005 109.325 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.08 -47.21 85.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.145 . . . . 70.510000000000005 109.283 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -90.13 44.6 1.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 74.409999999999997 110.334 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.91 -49.84 1.72 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 73.109999999999999 109.314 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.652 ' CD1' ' N ' ' A' ' 23' ' ' ALA . 0.6 OUTLIER -94.39 -39.86 10.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 71.049999999999997 111.003 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.652 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -54.4 -52.02 63.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.558 1.161 . . . . 73.340000000000003 109.291 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.0 ttmm -47.09 -34.86 6.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 73.319999999999993 109.301 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.4 mmm180 -80.36 -30.72 37.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 75.129999999999995 110.334 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.451 ' N ' ' O ' ' A' ' 23' ' ' ALA . 7.3 mm -58.26 -57.82 9.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 74.340000000000003 109.312 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -49.55 -52.32 30.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 63.109999999999999 109.306 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.434 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 4.0 mt-10 -48.74 -62.72 1.36 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 74.140000000000001 110.332 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -44.07 -62.43 1.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 62.0 109.292 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.2 mmt -41.47 -55.79 2.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 72.299999999999997 110.988 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.434 ' HB3' ' O ' ' A' ' 28' ' ' GLU . . . -41.13 138.26 1.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 71.510000000000005 109.32 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.7 ttpp -150.84 144.1 24.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 73.329999999999998 109.334 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.535 1.147 . . . . 54.32 110.981 -179.985 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.328 -0.249 . . . . 74.129999999999995 110.328 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 130.41 157.04 8.85 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.485 1.116 . . . . 71.239999999999995 110.966 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.402 ' HB2' ' O ' ' A' ' 11' ' ' TYR . 5.0 tppt? -102.34 -65.85 0.96 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 0.761 . . . . 72.230000000000004 109.289 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.835 ' CH2' ' CD1' ' A' ' 11' ' ' TYR . 7.6 p-90 -151.56 -174.99 5.01 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.016 -1.105 . . . . 74.209999999999994 108.016 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.419 ' HA ' ' O ' ' A' ' 9' ' ' ILE . 2.5 p -141.6 105.62 4.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 53.140000000000001 110.386 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.514 ' HB3' HD11 ' A' ' 9' ' ' ILE . 21.5 t80 -93.45 -62.29 1.39 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 73.109999999999999 110.98 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.434 ' H ' HD11 ' A' ' 9' ' ' ILE . 5.3 t-20 -123.98 64.81 1.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 44.219999999999999 109.291 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 54.73 36.75 60.01 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.485 1.116 . . . . 22.449999999999999 111.016 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.813 ' O ' HD12 ' A' ' 9' ' ' ILE . 1.1 pp -140.06 146.26 25.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.503 0.767 . . . . 74.239999999999995 109.288 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -110.51 124.25 51.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 72.349999999999994 110.422 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.835 ' CD1' ' CH2' ' A' ' 4' ' ' TRP . 10.8 m-85 -95.68 163.51 13.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 63.009999999999998 110.977 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -124.99 49.68 1.84 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 65.439999999999998 110.282 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 74.91 -64.28 2.32 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.462 1.101 . . . . 52.219999999999999 111.004 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -73.2 -74.47 0.8 Allowed Glycine 0 CA--C 1.529 0.946 0 N-CA-C 111.009 -0.836 . . . . 65.329999999999998 111.009 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 139.18 137.68 3.55 Favored Glycine 0 CA--C 1.531 1.038 0 N-CA-C 110.994 -0.842 . . . . 62.299999999999997 110.994 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 70.51 161.21 3.61 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 111.008 -0.837 . . . . 74.310000000000002 111.008 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 41.5 t -78.75 141.48 37.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 0.76 . . . . 63.43 110.004 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.82 -32.29 35.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 75.109999999999999 109.323 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.437 ' O ' ' CE2' ' A' ' 22' ' ' TYR . . . -64.03 -45.03 90.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 54.439999999999998 109.323 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -73.06 -30.34 63.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 73.230000000000004 110.322 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -51.64 -69.79 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 61.109999999999999 109.304 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.647 ' CD1' ' N ' ' A' ' 23' ' ' ALA . 0.4 OUTLIER -58.36 -41.56 84.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 72.310000000000002 110.963 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.647 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -46.7 -38.29 9.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 73.450000000000003 109.303 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.3 tttp -66.43 -48.95 68.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 74.310000000000002 109.278 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 45.5 mtp180 -58.6 -33.6 70.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 72.420000000000002 110.309 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.7 mm -54.06 -57.63 5.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 64.510000000000005 109.282 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -49.61 -47.02 49.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 62.539999999999999 109.298 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 29' ' ' ALA . 3.6 mt-10 -54.63 -59.44 4.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.1 . . . . 73.010000000000005 110.276 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 28' ' ' GLU . . . -40.21 -59.69 1.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 62.420000000000002 109.264 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -44.38 -59.65 2.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 75.140000000000001 110.975 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -45.54 -62.8 1.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 43.32 109.304 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.4 116.34 20.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.542 1.151 . . . . 72.140000000000001 109.28 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 O-C-N 124.493 1.121 . . . . 35.25 110.995 179.997 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 6.1 mmt180 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.264 -0.273 . . . . 72.540000000000006 110.264 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.537 ' HA3' ' HB2' ' A' ' 18' ' ' ALA . . . 46.13 41.41 11.19 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.438 1.086 . . . . 65.099999999999994 111.035 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.17 146.63 52.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 0.755 . . . . 74.400000000000006 109.317 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.584 ' CZ3' ' HB2' ' A' ' 6' ' ' TYR . 4.1 p-90 -111.78 -173.14 2.18 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.478 1.112 . . . . 74.319999999999993 108.033 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 24.2 m -141.25 110.44 6.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 64.319999999999993 110.408 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.584 ' HB2' ' CZ3' ' A' ' 4' ' ' TRP . 6.0 t80 -91.09 -62.75 1.38 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 73.109999999999999 111.028 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -127.08 52.13 1.82 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 63.43 109.29 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 67.39 27.51 73.54 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.514 1.134 . . . . 62.409999999999997 110.996 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.784 HD12 ' N ' ' A' ' 10' ' ' THR . 0.1 OUTLIER -129.62 122.67 55.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.517 0.775 . . . . 74.319999999999993 109.292 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.784 ' N ' HD12 ' A' ' 9' ' ' ILE . 0.9 OUTLIER -78.78 112.72 16.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 73.400000000000006 110.409 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.517 ' CE1' HG13 ' A' ' 9' ' ' ILE . 6.0 m-85 -88.02 155.45 19.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 74.019999999999996 111.0 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -115.32 -55.22 2.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 60.310000000000002 110.313 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 38.31 55.58 2.0 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.503 1.127 . . . . 54.520000000000003 111.001 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 37.32 61.94 0.96 Allowed Glycine 0 CA--C 1.531 1.046 0 N-CA-C 110.964 -0.854 . . . . 51.149999999999999 110.964 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 104.31 -119.64 6.35 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 111.002 -0.839 . . . . 73.030000000000001 111.002 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.444 ' C ' ' N ' ' A' ' 18' ' ' ALA . . . 147.17 -170.35 28.05 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.011 -0.836 . . . . 50.310000000000002 111.011 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 19' ' ' ALA . 0.0 OUTLIER -45.63 -21.68 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 0.765 . . . . 55.32 109.95 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.559 ' O ' ' HB3' ' A' ' 19' ' ' ALA . . . -54.37 90.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 45.119999999999997 109.286 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.559 ' HB3' ' O ' ' A' ' 18' ' ' ALA . . . 75.01 33.0 0.76 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 54.43 109.299 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.441 ' O ' ' HB3' ' A' ' 23' ' ' ALA . 5.7 mt-10 -134.34 -44.74 0.77 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 71.319999999999993 110.314 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -47.22 -66.77 0.35 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.143 . . . . 75.420000000000002 109.367 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.633 ' CD1' ' N ' ' A' ' 23' ' ' ALA . 0.4 OUTLIER -51.17 -42.85 61.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 65.5 110.944 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.633 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -50.79 -50.98 54.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 63.329999999999998 109.312 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -49.81 -39.8 39.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 72.299999999999997 109.305 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.2 mmm180 -71.84 -36.83 70.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 71.129999999999995 110.312 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.3 mm -53.45 -60.68 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 71.209999999999994 109.298 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -46.02 -52.93 10.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 72.319999999999993 109.293 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.449 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 2.8 mt-10 -50.1 -62.57 1.5 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 52.240000000000002 110.346 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -44.33 -60.01 2.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 51.119999999999997 109.319 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.401 ' O ' ' C ' ' A' ' 31' ' ' ALA . 1.2 mtm -42.54 -54.52 3.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 64.319999999999993 111.028 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.449 ' HB3' ' O ' ' A' ' 28' ' ' GLU . . . -40.43 117.16 0.77 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 63.039999999999999 109.275 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -94.01 -62.8 1.28 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.148 . . . . 74.530000000000001 109.294 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.528 1.142 . . . . 75.450000000000003 110.952 179.995 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 5.9 mtt-85 . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 110.325 -0.25 . . . . 65.340000000000003 110.325 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 151.18 106.93 0.35 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.468 1.105 . . . . 73.450000000000003 111.01 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.509 ' HB2' HG23 ' A' ' 10' ' ' THR . 0.0 OUTLIER -59.74 160.89 6.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 0.773 . . . . 73.019999999999996 109.312 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.541 ' CE3' ' HB2' ' A' ' 6' ' ' TYR . 3.3 p-90 -136.01 150.2 49.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 73.310000000000002 108.036 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.9 m -111.62 98.01 7.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 62.009999999999998 110.402 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.541 ' HB2' ' CE3' ' A' ' 4' ' ' TRP . 0.6 OUTLIER -107.45 96.95 6.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 74.5 110.984 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.438 ' C ' ' O ' ' A' ' 6' ' ' TYR . 7.6 t-20 36.94 54.98 1.21 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 45.530000000000001 109.308 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -176.13 -121.35 0.66 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.482 1.114 . . . . 74.519999999999996 110.987 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.717 HD12 ' HE1' ' A' ' 11' ' ' TYR . 0.4 OUTLIER -126.89 -171.82 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 0.761 . . . . 74.310000000000002 109.284 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.509 HG23 ' HB2' ' A' ' 3' ' ' LYS . 0.7 OUTLIER -65.97 116.94 7.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 74.420000000000002 110.397 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.717 ' HE1' HD12 ' A' ' 9' ' ' ILE . 4.2 m-30 -98.14 159.99 14.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 74.209999999999994 110.992 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 -105.24 161.75 14.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 73.25 110.286 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -98.96 -54.55 1.11 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.509 1.13 . . . . 51.130000000000003 110.979 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 107.95 74.06 0.84 Allowed Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.983 -0.847 . . . . 72.219999999999999 110.983 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.88 63.91 4.83 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.992 -0.843 . . . . 50.310000000000002 110.992 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 70.41 -114.11 5.25 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 110.978 -0.849 . . . . 72.129999999999995 110.978 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -120.87 150.73 40.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 0.747 . . . . 71.140000000000001 110.049 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.04 -23.3 61.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 65.349999999999994 109.307 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -82.82 -47.92 11.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 52.0 109.326 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.548 ' HA ' ' HB3' ' A' ' 23' ' ' ALA . 3.7 mm-40 -44.27 -27.16 0.39 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 74.129999999999995 110.294 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -49.13 -70.15 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 72.450000000000003 109.294 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.653 ' CD1' ' N ' ' A' ' 23' ' ' ALA . 0.6 OUTLIER -75.8 -43.33 46.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 62.409999999999997 110.996 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.653 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -40.06 -29.47 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 65.109999999999999 109.332 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.45 ' N ' ' C ' ' A' ' 22' ' ' TYR . 6.4 tptm -69.51 -59.29 3.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 73.530000000000001 109.305 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.493 ' HG3' ' N ' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -49.85 -28.01 5.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 64.340000000000003 110.274 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.493 ' N ' ' HG3' ' A' ' 25' ' ' ARG . 7.3 mm -62.7 -60.18 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 73.010000000000005 109.309 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -45.05 -49.17 11.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.464 1.103 . . . . 72.349999999999994 109.314 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -49.34 -60.94 2.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 73.230000000000004 110.301 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -48.83 -58.99 3.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 65.540000000000006 109.282 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 4.5 mtm -39.45 -57.72 1.38 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 54.420000000000002 111.041 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -43.76 -60.12 1.94 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 64.400000000000006 109.301 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 48.4 pttt -122.16 107.72 12.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 74.340000000000003 109.323 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.516 1.135 . . . . 53.049999999999997 110.966 179.979 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 5.6 ttm105 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.34 -0.245 . . . . 74.099999999999994 110.34 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 158.65 105.06 0.21 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.51 1.131 . . . . 51.210000000000001 110.989 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.405 ' CG ' HG23 ' A' ' 10' ' ' THR . 0.1 OUTLIER -56.71 160.5 3.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 0.747 . . . . 64.420000000000002 109.339 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.1 p-90 -137.89 171.74 13.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 74.540000000000006 107.986 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 13.9 m -134.95 97.59 3.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.563 1.164 . . . . 70.450000000000003 110.403 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.419 ' O ' ' C ' ' A' ' 7' ' ' ASN . 3.4 t80 -107.14 90.59 3.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.147 . . . . 74.140000000000001 111.002 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.419 ' C ' ' O ' ' A' ' 6' ' ' TYR . 12.0 m-20 38.18 53.41 1.68 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 71.329999999999998 109.267 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -163.62 -110.0 0.24 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.432 1.082 . . . . 75.150000000000006 111.014 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.622 ' O ' ' CD1' ' A' ' 11' ' ' TYR . 1.8 pp -146.97 170.4 4.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.46 0.741 . . . . 73.209999999999994 109.291 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.405 HG23 ' CG ' ' A' ' 3' ' ' LYS . 1.4 m -48.62 93.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 74.329999999999998 110.408 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.622 ' CD1' ' O ' ' A' ' 9' ' ' ILE . 10.0 m-30 -82.86 142.22 31.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 75.319999999999993 111.036 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -95.43 147.24 23.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 63.130000000000003 110.289 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -90.66 -92.33 1.28 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.532 1.145 . . . . 72.319999999999993 110.963 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 159.17 174.6 29.11 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 110.983 -0.847 . . . . 71.540000000000006 110.983 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 39.87 67.06 0.69 Allowed Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.0 -0.84 . . . . 75.200000000000003 111.0 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 170.36 83.6 0.05 OUTLIER Glycine 0 CA--C 1.531 1.05 0 N-CA-C 111.018 -0.833 . . . . 63.409999999999997 111.018 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.72 132.31 34.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 0.785 . . . . 73.219999999999999 109.977 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.403 ' O ' ' HB3' ' A' ' 21' ' ' ALA . . . -42.19 -53.87 3.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 43.229999999999997 109.262 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -49.87 -56.4 10.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 52.130000000000003 109.307 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -82.94 56.86 3.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 73.030000000000001 110.306 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.403 ' HB3' ' O ' ' A' ' 18' ' ' ALA . . . -123.78 -59.95 1.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 73.219999999999999 109.296 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.63 ' CD1' ' N ' ' A' ' 23' ' ' ALA . 0.5 OUTLIER -70.2 -42.77 71.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 64.120000000000005 110.996 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.63 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -42.06 -52.56 4.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 62.420000000000002 109.312 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.6 mmtt -46.46 -56.47 5.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 62.229999999999997 109.252 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.3 mmm180 -49.76 -42.8 47.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 71.450000000000003 110.326 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.463 ' N ' HD13 ' A' ' 26' ' ' ILE . 5.4 mm -54.41 -65.54 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 73.329999999999998 109.285 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -44.19 -48.96 9.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 54.329999999999998 109.29 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -51.29 -62.72 1.45 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 74.019999999999996 110.262 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -47.18 -60.37 2.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.095 . . . . 71.329999999999998 109.284 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 13.2 mtm -37.88 -58.0 0.96 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 64.329999999999998 111.025 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -43.38 -62.45 1.06 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.537 1.148 . . . . 62.240000000000002 109.3 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.0 pttp -66.97 142.95 57.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 71.239999999999995 109.304 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.563 1.164 . . . . 74.349999999999994 111.007 179.962 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 13.4 mmt-85 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.269 -0.271 . . . . 74.120000000000005 110.269 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -62.74 96.54 0.16 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.472 1.107 . . . . 61.439999999999998 110.996 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.695 ' HG3' HG23 ' A' ' 10' ' ' THR . 0.0 OUTLIER -55.4 142.96 30.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 0.747 . . . . 75.409999999999997 109.271 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.566 ' CZ3' ' HB2' ' A' ' 6' ' ' TYR . 1.3 p-90 -119.13 -174.25 2.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 62.140000000000001 108.038 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.677 HG23 ' H ' ' A' ' 9' ' ' ILE . 53.7 m -139.6 107.24 5.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 75.099999999999994 110.379 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.566 ' HB2' ' CZ3' ' A' ' 4' ' ' TRP . 10.0 t80 -93.54 -46.32 7.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 74.420000000000002 110.987 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -128.59 67.47 1.39 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 62.130000000000003 109.281 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 46.45 45.89 16.93 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.513 1.133 . . . . 75.219999999999999 110.985 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 1.009 HD13 ' CD1' ' A' ' 11' ' ' TYR . 1.2 pp -139.71 166.59 20.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.492 0.76 . . . . 72.450000000000003 109.28 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.695 HG23 ' HG3' ' A' ' 3' ' ' LYS . 1.3 m -101.04 70.85 1.37 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 75.340000000000003 110.366 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 1.009 ' CD1' HD13 ' A' ' 9' ' ' ILE . 4.2 m-30 -63.98 132.62 51.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 74.230000000000004 110.971 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -111.19 -29.61 7.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 64.400000000000006 110.311 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -55.05 -171.78 0.08 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.552 1.158 . . . . 72.450000000000003 111.042 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -116.48 -158.01 11.21 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.013 -0.835 . . . . 55.130000000000003 111.013 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -110.05 110.95 2.99 Favored Glycine 0 CA--C 1.531 1.048 0 N-CA-C 110.996 -0.842 . . . . 63.329999999999998 110.996 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -125.12 168.8 17.13 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 111.002 -0.839 . . . . 74.209999999999994 111.002 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.419 ' O ' ' N ' ' A' ' 20' ' ' GLU . 3.4 m -118.79 135.67 54.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 0.754 . . . . 52.149999999999999 109.968 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.812 ' HB3' ' CE1' ' A' ' 22' ' ' TYR . . . 47.39 54.99 8.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 53.119999999999997 109.31 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.46 ' O ' ' N ' ' A' ' 21' ' ' ALA . . . 52.9 27.25 5.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 73.310000000000002 109.314 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' ' 19' ' ' ALA . 4.1 pt-20 33.78 36.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 75.109999999999999 110.343 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.46 ' N ' ' O ' ' A' ' 19' ' ' ALA . . . -86.43 -75.47 0.38 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 63.329999999999998 109.319 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.812 ' CE1' ' HB3' ' A' ' 18' ' ' ALA . 17.6 p90 -45.46 -40.78 8.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 61.420000000000002 111.006 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.531 ' N ' ' CG ' ' A' ' 22' ' ' TYR . . . -41.13 -52.07 3.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.581 1.175 . . . . 74.329999999999998 109.284 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.38 -44.44 11.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 72.510000000000005 109.304 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.454 ' N ' ' O ' ' A' ' 22' ' ' TYR . 3.2 mmp_? -72.12 -38.33 69.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 74.439999999999998 110.257 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 47.1 mm -50.24 -52.12 15.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 71.450000000000003 109.27 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -49.76 -52.2 33.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 74.420000000000002 109.313 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.439 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 3.3 mt-10 -51.85 -61.45 2.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 75.319999999999993 110.323 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -44.44 -60.24 2.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 54.43 109.297 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.6 mtm -39.73 -55.35 1.93 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.585 1.178 . . . . 74.450000000000003 111.015 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.439 ' HB3' ' O ' ' A' ' 28' ' ' GLU . . . -40.87 141.97 0.53 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 65.329999999999998 109.312 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -73.19 101.97 3.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 62.100000000000001 109.258 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.484 1.115 . . . . 72.109999999999999 111.025 179.986 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.7 mtt-85 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.32 -0.252 . . . . 74.409999999999997 110.32 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 89.36 -129.88 9.9 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.5 1.125 . . . . 31.23 110.999 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.14 154.26 41.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 0.772 . . . . 74.120000000000005 109.296 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.557 ' CZ3' ' HB2' ' A' ' 6' ' ' TYR . 2.7 p-90 -130.53 -173.17 2.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 72.129999999999995 108.021 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 56.5 m -138.45 104.98 5.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 63.350000000000001 110.439 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.557 ' HB2' ' CZ3' ' A' ' 4' ' ' TRP . 2.4 t80 -83.56 -62.04 1.68 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 71.299999999999997 110.994 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -102.51 -71.23 0.73 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 72.530000000000001 109.332 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -167.53 30.67 0.18 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.44 1.088 . . . . 65.25 110.998 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.539 HD11 ' CE1' ' A' ' 11' ' ' TYR . 0.8 OUTLIER -135.87 138.72 47.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.491 0.759 . . . . 72.019999999999996 109.289 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.5 m -70.84 108.16 4.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.163 . . . . 74.439999999999998 110.383 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.539 ' CE1' HD11 ' A' ' 9' ' ' ILE . 2.8 m-85 -80.92 148.6 29.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 65.25 111.047 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -95.09 -60.14 1.75 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 75.25 110.294 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 158.14 -134.61 3.94 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.5 1.125 . . . . 73.340000000000003 111.012 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 64.41 154.86 0.13 Allowed Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.016 -0.834 . . . . 54.200000000000003 111.016 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -165.69 -59.01 0.03 OUTLIER Glycine 0 CA--C 1.53 1.017 0 N-CA-C 111.004 -0.839 . . . . 72.310000000000002 111.004 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 120.91 -27.55 6.43 Favored Glycine 0 CA--C 1.529 0.962 0 N-CA-C 111.032 -0.827 . . . . 74.239999999999995 111.032 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.777 ' OG ' ' HB2' ' A' ' 21' ' ' ALA . 3.1 t 59.85 32.42 21.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.421 0.718 . . . . 74.450000000000003 110.0 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.534 ' O ' ' HB3' ' A' ' 19' ' ' ALA . . . -58.63 85.82 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.12 . . . . 43.210000000000001 109.296 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.534 ' HB3' ' O ' ' A' ' 18' ' ' ALA . . . 73.46 24.93 2.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 73.430000000000007 109.299 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -120.08 -17.24 8.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 74.239999999999995 110.293 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.777 ' HB2' ' OG ' ' A' ' 17' ' ' SER . . . -42.09 -31.93 0.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 52.219999999999999 109.309 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.65 ' CD1' ' N ' ' A' ' 23' ' ' ALA . 1.0 OUTLIER -97.32 -38.65 9.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 71.25 110.986 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.65 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -50.58 -48.88 57.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 73.200000000000003 109.32 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.83 -48.72 4.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 65.219999999999999 109.289 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.3 mtp180 -66.86 -40.17 87.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 71.409999999999997 110.27 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 16.1 mm -52.01 -51.22 31.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 64.019999999999996 109.282 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -46.55 -53.23 11.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 71.420000000000002 109.271 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -48.36 -59.54 3.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.557 1.161 . . . . 72.209999999999994 110.35 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -44.68 -55.17 5.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 73.140000000000001 109.292 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 28.6 mtp -48.5 -57.57 5.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 71.329999999999998 110.999 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 58.98 52.79 6.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 75.109999999999999 109.324 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.81 137.94 51.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 75.150000000000006 109.278 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.501 1.126 . . . . 72.109999999999999 111.026 179.966 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.7 mtt180 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.32 -0.252 . . . . 63.350000000000001 110.32 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 179.99 -91.01 0.08 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.477 1.111 . . . . 64.540000000000006 111.017 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.12 179.26 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 0.775 . . . . 64.010000000000005 109.307 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.801 ' CZ2' ' CD2' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -149.53 -175.02 4.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 72.530000000000001 108.014 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.457 ' HA ' ' O ' ' A' ' 9' ' ' ILE . 2.5 m -134.91 101.3 4.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 73.340000000000003 110.431 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -115.53 98.44 6.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 74.420000000000002 111.014 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.2 t30 65.87 54.39 1.04 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 73.530000000000001 109.263 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 54.48 57.15 18.54 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.549 1.155 . . . . 62.420000000000002 111.036 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.463 HG21 ' CE1' ' A' ' 11' ' ' TYR . 0.9 OUTLIER -137.98 148.88 24.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.507 0.769 . . . . 65.319999999999993 109.281 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.3 m -121.2 110.55 16.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 72.109999999999999 110.386 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.801 ' CD2' ' CZ2' ' A' ' 4' ' ' TRP . 9.6 m-85 -88.09 151.84 22.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.1 . . . . 75.0 110.987 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -108.74 -179.44 3.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.113 . . . . 74.409999999999997 110.313 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -146.98 72.93 0.31 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.468 1.105 . . . . 51.420000000000002 110.992 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -151.27 88.98 0.13 Allowed Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.013 -0.835 . . . . 72.25 111.013 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 173.73 -62.36 0.13 Allowed Glycine 0 CA--C 1.53 1.004 0 N-CA-C 110.981 -0.847 . . . . 73.219999999999999 110.981 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 151.06 -142.87 9.92 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 110.996 -0.842 . . . . 73.340000000000003 110.996 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.4 m -78.06 152.22 33.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 0.754 . . . . 71.430000000000007 109.97 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.23 -45.44 63.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 74.209999999999994 109.323 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.79 -39.67 74.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 52.140000000000001 109.293 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -95.78 57.34 1.84 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 71.450000000000003 110.31 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.06 -50.93 0.83 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 54.229999999999997 109.288 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.656 ' CD1' ' N ' ' A' ' 23' ' ' ALA . 0.4 OUTLIER -87.66 -41.65 13.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 72.430000000000007 111.024 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.656 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -44.44 -26.54 0.36 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 71.450000000000003 109.299 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.417 ' N ' ' C ' ' A' ' 22' ' ' TYR . 9.2 tppt? -74.54 -63.24 1.28 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 74.450000000000003 109.304 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.484 ' HG3' ' N ' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -47.32 -27.7 1.7 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 75.120000000000005 110.301 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.484 ' N ' ' HG3' ' A' ' 25' ' ' ARG . 6.2 mm -57.0 -57.75 8.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 62.109999999999999 109.32 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -49.35 -50.86 38.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 42.140000000000001 109.292 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -50.01 -59.87 3.47 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.527 1.142 . . . . 75.409999999999997 110.327 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -49.02 -59.68 3.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 73.540000000000006 109.26 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 2.0 mtt -39.74 -52.32 2.3 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.504 1.127 . . . . 74.409999999999997 110.993 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.99 74.44 3.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.092 . . . . 64.120000000000005 109.358 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.1 93.29 5.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 63.219999999999999 109.326 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.486 1.116 . . . . 61.210000000000001 110.975 179.994 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 13.0 ptp180 . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 110.283 -0.266 . . . . 74.25 110.283 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -82.65 -108.71 0.46 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.467 1.105 . . . . 71.109999999999999 111.022 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.534 ' HA ' HG23 ' A' ' 10' ' ' THR . 32.6 ttmt 72.92 24.89 2.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 0.767 . . . . 73.310000000000002 109.321 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.543 ' CZ3' ' HB2' ' A' ' 6' ' ' TYR . 2.6 p-90 -90.43 175.12 7.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 74.209999999999994 108.025 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.4 p -125.02 112.5 16.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 64.049999999999997 110.406 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.543 ' HB2' ' CZ3' ' A' ' 4' ' ' TRP . 3.8 t80 -103.6 -55.07 2.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 65.299999999999997 110.995 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -115.96 43.38 2.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 52.530000000000001 109.264 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 67.27 31.25 76.77 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.497 1.123 . . . . 72.129999999999995 111.008 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.544 HD11 ' CE1' ' A' ' 11' ' ' TYR . 0.7 OUTLIER -143.39 140.48 26.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.514 0.773 . . . . 73.540000000000006 109.271 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.534 HG23 ' HA ' ' A' ' 3' ' ' LYS . 1.2 m -73.54 109.03 6.74 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.116 . . . . 74.340000000000003 110.364 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.544 ' CE1' HD11 ' A' ' 9' ' ' ILE . 2.8 m-85 -81.06 151.65 28.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 73.120000000000005 110.958 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -111.37 159.93 17.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 74.329999999999998 110.356 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -136.43 143.03 14.31 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.523 1.139 . . . . 60.219999999999999 111.018 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 108.47 159.82 19.92 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 110.987 -0.845 . . . . 64.200000000000003 110.987 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -164.99 96.74 0.13 Allowed Glycine 0 CA--C 1.53 0.975 0 N-CA-C 111.001 -0.839 . . . . 42.100000000000001 111.001 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -150.05 -151.89 5.64 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.008 -0.837 . . . . 51.25 111.008 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.442 ' CB ' ' HB3' ' A' ' 20' ' ' GLU . 6.2 m -100.59 118.9 37.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 0.768 . . . . 74.310000000000002 110.005 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -83.99 -29.15 27.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 52.299999999999997 109.307 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.543 ' O ' ' CD2' ' A' ' 22' ' ' TYR . . . -94.45 23.53 5.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 74.409999999999997 109.326 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.442 ' HB3' ' CB ' ' A' ' 17' ' ' SER . 14.5 pt-20 -75.98 -22.2 56.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 72.049999999999997 110.314 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -42.1 -60.9 1.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 72.230000000000004 109.278 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.598 ' CG ' ' N ' ' A' ' 23' ' ' ALA . 0.6 OUTLIER -67.85 -43.36 79.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 75.310000000000002 111.027 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.598 ' N ' ' CG ' ' A' ' 22' ' ' TYR . . . -41.59 -53.32 3.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 70.409999999999997 109.315 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -49.39 -52.89 25.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 74.400000000000006 109.321 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.8 mmm180 -51.94 -43.62 63.56 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.47 1.106 . . . . 71.120000000000005 110.286 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.443 ' N ' HD13 ' A' ' 26' ' ' ILE . 5.7 mm -51.28 -63.55 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 71.150000000000006 109.315 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -45.31 -50.67 11.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 61.100000000000001 109.281 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -50.09 -62.83 1.35 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 74.129999999999995 110.328 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -41.88 -61.42 1.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.56 1.162 . . . . 74.010000000000005 109.329 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 37.8 mtt -38.3 -56.0 1.28 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 74.519999999999996 111.003 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 44.74 51.43 8.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 65.140000000000001 109.25 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.4 pttm -130.67 157.75 41.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 64.129999999999995 109.275 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.478 1.111 . . . . 32.229999999999997 110.984 179.974 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 13.2 mmt180 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.276 -0.268 . . . . 54.119999999999997 110.276 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -164.59 -122.89 0.62 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.449 1.093 . . . . 42.509999999999998 111.039 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.856 ' CB ' HG23 ' A' ' 10' ' ' THR . 0.0 OUTLIER -65.15 166.87 8.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 0.751 . . . . 75.549999999999997 109.292 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.799 ' CZ2' ' CD2' ' A' ' 11' ' ' TYR . 43.7 p-90 -127.22 106.16 9.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 71.109999999999999 107.986 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.2 p -78.43 99.36 6.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.095 . . . . 62.399999999999999 110.395 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.496 ' HB2' ' CZ3' ' A' ' 4' ' ' TRP . 0.8 OUTLIER -96.21 -62.26 1.31 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 64.549999999999997 111.01 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.559 ' O ' HG22 ' A' ' 9' ' ' ILE . 7.5 t30 -114.46 46.49 1.37 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 54.200000000000003 109.281 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 62.39 33.08 85.15 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.499 1.124 . . . . 55.450000000000003 110.985 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.951 HD12 ' N ' ' A' ' 10' ' ' THR . 0.1 OUTLIER -136.27 132.74 49.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.495 0.762 . . . . 65.530000000000001 109.317 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.951 ' N ' HD12 ' A' ' 9' ' ' ILE . 8.6 m -89.39 107.39 19.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.434 1.084 . . . . 74.349999999999994 110.379 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.799 ' CD2' ' CZ2' ' A' ' 4' ' ' TRP . 6.6 m-85 -81.87 -81.32 0.14 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.417 1.073 . . . . 74.420000000000002 111.007 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.47 ' HB2' ' CG ' ' A' ' 3' ' ' LYS . 1.1 tm-20 34.11 38.52 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 75.109999999999999 110.327 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . 79.04 114.8 0.22 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.504 1.127 . . . . 61.43 111.026 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -128.64 94.75 0.37 Allowed Glycine 0 CA--C 1.53 0.973 0 N-CA-C 111.061 -0.816 . . . . 63.310000000000002 111.061 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 139.23 -59.32 0.59 Allowed Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.973 -0.851 . . . . 53.119999999999997 110.973 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -38.46 155.87 0.02 OUTLIER Glycine 0 CA--C 1.53 0.974 0 N-CA-C 110.99 -0.844 . . . . 51.229999999999997 110.99 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 25.2 m -119.3 116.29 25.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 0.752 . . . . 42.229999999999997 109.997 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -44.55 -56.12 4.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 74.230000000000004 109.273 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -41.16 -52.62 3.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.561 1.163 . . . . 71.430000000000007 109.317 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -88.42 58.86 4.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 73.310000000000002 110.262 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.25 -58.28 1.54 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 51.229999999999997 109.266 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.647 ' CD1' ' N ' ' A' ' 23' ' ' ALA . 0.5 OUTLIER -58.53 -39.53 80.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 72.109999999999999 111.005 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.647 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -40.32 -51.45 2.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 74.230000000000004 109.33 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.54 -59.2 4.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 72.340000000000003 109.304 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 24.0 mtp180 -43.83 -42.09 5.44 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 73.319999999999993 110.285 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.59 ' N ' HD13 ' A' ' 26' ' ' ILE . 3.3 mm -55.43 -61.37 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 72.25 109.308 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -44.82 -46.78 10.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 73.150000000000006 109.262 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -56.19 -63.06 1.31 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 73.209999999999994 110.296 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -44.23 -56.93 3.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 74.019999999999996 109.311 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 2.0 mtm -41.51 -57.05 2.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 75.420000000000002 110.996 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 49.04 40.03 16.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 54.219999999999999 109.318 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.7 pttt -141.62 142.56 33.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 72.099999999999994 109.291 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.059 0 O-C-N 124.563 1.164 . . . . 74.030000000000001 110.989 179.955 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.0 ptt180 . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 110.343 -0.243 . . . . 65.430000000000007 110.343 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -115.96 -77.48 0.68 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.46 1.1 . . . . 74.239999999999995 111.033 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.82 155.01 40.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 0.749 . . . . 74.099999999999994 109.315 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.526 ' CZ3' ' HB2' ' A' ' 6' ' ' TYR . 9.3 p-90 -120.85 -172.91 2.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 72.200000000000003 107.978 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.462 ' CG2' ' HA2' ' A' ' 8' ' ' GLY . 89.6 m -148.58 112.64 5.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 61.030000000000001 110.382 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.526 ' HB2' ' CZ3' ' A' ' 4' ' ' TRP . 7.2 t80 -84.66 -56.61 3.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 75.109999999999999 110.967 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.612 ' H ' HD12 ' A' ' 9' ' ' ILE . 0.1 OUTLIER -133.62 13.96 4.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.561 1.163 . . . . 73.140000000000001 109.328 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.462 ' HA2' ' CG2' ' A' ' 5' ' ' THR . . . 99.67 46.61 1.92 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.518 1.136 . . . . 62.43 110.998 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.612 HD12 ' H ' ' A' ' 7' ' ' ASN . 2.7 mp -112.99 -19.62 6.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.474 0.749 . . . . 70.530000000000001 109.268 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.764 HG22 ' O ' ' A' ' 10' ' ' THR . 1.5 m 65.15 54.97 1.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 61.240000000000002 110.416 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.555 ' HE1' HD13 ' A' ' 9' ' ' ILE . 8.3 m-85 -57.85 135.85 56.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 74.430000000000007 110.989 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 19.6 pt-20 -111.35 55.75 0.65 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 71.310000000000002 110.312 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 71.71 -132.4 19.96 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.548 1.155 . . . . 53.340000000000003 111.027 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 106.9 123.44 5.08 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 110.942 -0.863 . . . . 74.400000000000006 110.942 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -149.78 66.87 0.37 Allowed Glycine 0 CA--C 1.531 1.042 0 N-CA-C 110.995 -0.842 . . . . 53.219999999999999 110.995 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 78.68 121.05 0.27 Allowed Glycine 0 CA--C 1.53 1.001 0 N-CA-C 110.979 -0.848 . . . . 62.229999999999997 110.979 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -174.93 151.33 1.34 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 0.75 . . . . 54.109999999999999 109.995 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.521 ' O ' ' HB2' ' A' ' 21' ' ' ALA . . . -40.72 -59.43 1.39 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 61.539999999999999 109.302 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -40.92 -51.98 3.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 72.310000000000002 109.307 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -76.86 56.12 1.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 75.019999999999996 110.287 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.521 ' HB2' ' O ' ' A' ' 18' ' ' ALA . . . -98.74 -57.7 2.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 65.329999999999998 109.28 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.552 ' CE2' HG13 ' A' ' 26' ' ' ILE . 14.4 p90 -36.22 -32.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 73.099999999999994 110.945 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . -40.59 -51.57 2.95 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.48 1.112 . . . . 44.439999999999998 109.274 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.8 ptmt -47.62 -44.4 26.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.459 1.099 . . . . 74.040000000000006 109.306 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.479 ' N ' ' O ' ' A' ' 22' ' ' TYR . 1.9 mmp_? -67.49 -39.59 85.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 63.130000000000003 110.331 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.552 HG13 ' CE2' ' A' ' 22' ' ' TYR . 18.8 mm -51.13 -61.0 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.537 1.148 . . . . 73.219999999999999 109.315 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -48.09 -53.88 15.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 62.310000000000002 109.288 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -45.65 -61.22 1.8 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.103 . . . . 73.040000000000006 110.288 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -50.13 -61.56 2.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 71.549999999999997 109.326 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.1 mtt -37.77 -55.4 1.17 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 72.329999999999998 110.961 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -73.9 75.94 1.65 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 62.329999999999998 109.283 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.2 tttp -104.52 -63.84 1.17 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.547 1.154 . . . . 73.420000000000002 109.322 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.476 1.11 . . . . 74.340000000000003 110.958 179.966 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.5 ptm180 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.324 -0.25 . . . . 74.150000000000006 110.324 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -129.79 -127.64 2.95 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.488 1.117 . . . . 62.32 111.014 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.06 -173.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 0.766 . . . . 71.5 109.318 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.767 ' CH2' ' CG ' ' A' ' 11' ' ' TYR . 11.0 p-90 -154.39 -175.04 5.21 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.017 -1.105 . . . . 74.25 108.017 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.2 m -151.13 105.05 3.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 62.219999999999999 110.356 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 39.8 t80 -98.43 -63.17 1.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 72.109999999999999 110.965 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.432 ' O ' HG22 ' A' ' 9' ' ' ILE . 8.2 m-20 -112.09 47.89 1.02 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.5 1.125 . . . . 75.109999999999999 109.292 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 61.58 32.84 82.81 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.481 1.113 . . . . 54.109999999999999 110.956 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.777 HD12 ' N ' ' A' ' 10' ' ' THR . 0.1 OUTLIER -129.33 126.05 63.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.468 0.746 . . . . 75.349999999999994 109.313 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.777 ' N ' HD12 ' A' ' 9' ' ' ILE . 1.1 m -82.9 117.46 22.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 71.230000000000004 110.392 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.767 ' CG ' ' CH2' ' A' ' 4' ' ' TRP . 24.2 m-85 -97.12 156.11 16.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 74.219999999999999 111.025 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.56 -59.49 2.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 75.540000000000006 110.318 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 146.38 147.18 4.52 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.543 1.152 . . . . 43.32 110.986 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -84.51 77.24 2.13 Favored Glycine 0 CA--C 1.53 1.028 0 N-CA-C 110.987 -0.845 . . . . 75.209999999999994 110.987 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 104.93 -126.91 8.86 Favored Glycine 0 CA--C 1.531 1.043 0 N-CA-C 111.002 -0.839 . . . . 62.299999999999997 111.002 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.462 ' O ' ' N ' ' A' ' 18' ' ' ALA . . . -123.43 -127.38 3.23 Favored Glycine 0 CA--C 1.529 0.965 0 N-CA-C 111.011 -0.836 . . . . 73.109999999999999 111.011 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.535 ' CB ' ' HB2' ' A' ' 20' ' ' GLU . 3.0 p -64.49 74.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 0.735 . . . . 72.099999999999994 109.99 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 16' ' ' GLY . . . -55.12 -47.48 74.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 64.329999999999998 109.274 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.578 ' O ' ' CD2' ' A' ' 22' ' ' TYR . . . -119.95 -3.45 10.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 54.539999999999999 109.315 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.535 ' HB2' ' CB ' ' A' ' 17' ' ' SER . 0.0 OUTLIER -73.26 -24.85 60.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 75.140000000000001 110.298 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -50.71 -73.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 60.140000000000001 109.285 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.61 ' CG ' ' N ' ' A' ' 23' ' ' ALA . 1.2 p90 -56.41 -43.67 79.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 64.340000000000003 110.979 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.61 ' N ' ' CG ' ' A' ' 22' ' ' TYR . . . -39.47 -29.47 0.05 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 64.319999999999993 109.279 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.461 ' N ' ' C ' ' A' ' 22' ' ' TYR . 3.2 ttmt -75.17 -53.93 7.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 75.519999999999996 109.29 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.533 ' HG3' ' N ' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -58.08 -23.47 54.78 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 73.040000000000006 110.307 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.568 HG13 ' CE1' ' A' ' 22' ' ' TYR . 27.8 mm -58.3 -57.4 10.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.556 1.16 . . . . 72.150000000000006 109.285 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.03 -53.64 53.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.163 . . . . 61.229999999999997 109.323 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -45.95 -60.24 2.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.153 . . . . 64.219999999999999 110.295 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.513 ' CB ' ' NH2' ' A' ' 25' ' ' ARG . . . -41.04 -63.52 0.66 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 55.140000000000001 109.309 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -44.58 -48.93 10.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 74.299999999999997 111.064 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -101.22 82.06 2.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 72.239999999999995 109.342 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.0 mmtm -122.6 165.77 15.92 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 72.349999999999994 109.311 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 O-C-N 124.506 1.129 . . . . 71.319999999999993 111.0 -179.964 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.321 -0.252 . . . . 74.349999999999994 110.321 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -156.96 157.59 28.14 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.52 1.137 . . . . 65.099999999999994 111.005 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.706 ' CB ' HG23 ' A' ' 10' ' ' THR . 0.0 OUTLIER -54.15 153.19 5.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 0.777 . . . . 73.549999999999997 109.309 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.666 ' CZ2' ' CD2' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -111.78 -10.84 14.01 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.558 1.161 . . . . 62.119999999999997 107.995 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.447 ' O ' HG22 ' A' ' 5' ' ' THR . 50.7 m 60.69 54.98 3.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 74.510000000000005 110.398 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.598 ' HB2' ' CE3' ' A' ' 4' ' ' TRP . 1.0 OUTLIER -82.83 151.46 26.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 71.109999999999999 111.008 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 49.46 25.6 1.4 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 75.129999999999995 109.265 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 68.51 37.46 85.41 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.485 1.116 . . . . 63.109999999999999 110.993 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.544 HD11 ' CE1' ' A' ' 11' ' ' TYR . 0.7 OUTLIER -148.3 141.15 18.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.505 0.768 . . . . 63.0 109.265 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.706 HG23 ' CB ' ' A' ' 3' ' ' LYS . 1.0 OUTLIER -81.2 119.81 24.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 53.329999999999998 110.359 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.666 ' CD2' ' CZ2' ' A' ' 4' ' ' TRP . 3.6 m-85 -87.65 160.63 18.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 71.540000000000006 110.972 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.42 ' HG3' ' N ' ' A' ' 13' ' ' GLY . 0.6 OUTLIER -98.03 -49.84 4.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 75.549999999999997 110.292 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.42 ' N ' ' HG3' ' A' ' 12' ' ' GLU . . . -162.49 -73.56 0.02 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.467 1.104 . . . . 52.340000000000003 111.018 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 151.96 179.66 27.78 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 111.007 -0.837 . . . . 40.43 111.007 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -150.5 -75.86 0.02 OUTLIER Glycine 0 CA--C 1.53 0.981 0 N-CA-C 111.011 -0.836 . . . . 72.120000000000005 111.011 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -91.14 165.45 30.33 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 110.989 -0.844 . . . . 51.119999999999997 110.989 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.538 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 0.2 OUTLIER -166.06 166.64 17.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 0.763 . . . . 63.039999999999999 109.962 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -41.75 -54.56 3.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 63.109999999999999 109.254 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.19 -55.19 26.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 51.310000000000002 109.307 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -94.7 45.06 1.11 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 54.119999999999997 110.283 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.538 ' HB2' ' O ' ' A' ' 17' ' ' SER . . . -127.33 -52.5 1.39 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 71.099999999999994 109.27 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.568 ' CD1' ' N ' ' A' ' 23' ' ' ALA . 0.9 OUTLIER -93.7 -41.01 9.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 74.319999999999993 111.012 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.568 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -52.35 -50.13 62.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 65.209999999999994 109.301 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.718 ' HG2' HH21 ' A' ' 25' ' ' ARG . 1.7 tttt -41.48 -48.22 3.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 75.430000000000007 109.253 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.718 HH21 ' HG2' ' A' ' 24' ' ' LYS . 5.4 mmp_? -67.86 -43.38 79.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 75.519999999999996 110.244 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 10.4 mm -46.61 -58.51 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 62.420000000000002 109.3 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -47.47 -54.29 11.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.46 1.1 . . . . 75.150000000000006 109.271 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -48.16 -61.41 2.0 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 75.349999999999994 110.274 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -45.38 -63.97 0.83 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.095 . . . . 51.119999999999997 109.318 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -39.77 -56.23 1.78 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 44.420000000000002 110.948 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -74.66 108.01 7.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 52.229999999999997 109.317 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.48 127.52 55.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.135 . . . . 64.409999999999997 109.295 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.047 0 O-C-N 124.503 1.127 . . . . 72.430000000000007 110.969 179.955 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.489 ' HB2' HG23 ' A' ' 10' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.322 -0.622 . . . . 75.42 109.322 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.659 ' CZ2' ' CD2' ' A' ' 11' ' ' TYR . 1.5 p-90 -107.98 -174.23 2.47 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.548 1.155 . . . . 75.11 107.974 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.6 p -138.25 107.81 6.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 72.31 110.404 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.575 ' HB2' ' CZ3' ' A' ' 4' ' ' TRP . 7.8 t80 -92.96 -62.81 1.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 74.33 110.985 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.41 ' O ' HG22 ' A' ' 9' ' ' ILE . 32.0 m-20 -131.12 55.39 1.85 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 73.33 109.275 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 67.34 23.52 73.39 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.449 1.093 . . . . 53.04 111.014 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.79 HD12 ' N ' ' A' ' 10' ' ' THR . 0.1 OUTLIER -125.69 122.11 61.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.483 0.754 . . . . 62.01 109.325 179.941 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.79 ' N ' HD12 ' A' ' 9' ' ' ILE . 0.8 OUTLIER -78.19 112.24 14.96 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 74.4 110.403 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.659 ' CD2' ' CZ2' ' A' ' 4' ' ' TRP . 5.7 m-85 -87.15 156.16 19.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 75.51 110.976 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.567 1.167 . . . . 55.21 110.311 -179.999 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.602 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 CA-C-O 120.536 0.208 . . . . 73.13 111.039 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.463 ' N ' ' CG ' ' A' ' 22' ' ' TYR . . . -58.29 -61.2 2.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 71.43 109.278 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.547 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 1.0 OUTLIER -40.21 -42.53 1.5 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 72.33 109.273 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 34.1 mtp85 -66.16 -53.25 39.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 73.31 110.267 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.484 HD12 ' HE1' ' A' ' 22' ' ' TYR . 6.2 mt -52.68 -24.38 6.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 62.03 109.279 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.547 ' HB3' ' O ' ' A' ' 24' ' ' LYS . . . -40.41 -35.93 0.49 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 72.34 109.299 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -74.82 -59.55 2.68 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 71.24 110.296 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -40.53 -45.59 2.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 53.45 109.303 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.2 mtm . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 73.53 110.982 -179.971 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.316 -0.624 . . . . 70.12 109.316 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.576 ' CE3' ' HB2' ' A' ' 6' ' ' TYR . 7.8 p-90 -124.06 105.67 9.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 72.21 108.01 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 23.8 m -67.55 94.43 0.41 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.135 . . . . 72.11 110.374 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.576 ' HB2' ' CE3' ' A' ' 4' ' ' TRP . 0.3 OUTLIER -111.52 134.18 53.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 74.23 110.987 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.3 t30 68.83 24.99 6.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 53.41 109.353 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 70.42 32.29 68.19 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.476 1.11 . . . . 63.11 110.989 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.985 HD11 ' CE1' ' A' ' 11' ' ' TYR . 0.7 OUTLIER -146.62 140.5 20.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.474 0.749 . . . . 63.05 109.335 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -94.55 137.41 33.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 74.13 110.409 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.985 ' CE1' HD11 ' A' ' 9' ' ' ILE . 3.7 m-85 -100.48 -175.43 2.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 72.24 111.019 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.151 . . . . 73.51 110.325 -179.999 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.642 ' CD1' ' N ' ' A' ' 23' ' ' ALA . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.463 0.173 . . . . 71.34 110.97 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.642 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -49.21 -45.47 44.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 61.11 109.277 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.811 ' HD2' HH21 ' A' ' 25' ' ' ARG . 0.0 OUTLIER -53.35 -44.88 68.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.567 1.167 . . . . 73.32 109.307 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.811 HH21 ' HD2' ' A' ' 24' ' ' LYS . 1.1 mmp_? -65.44 -35.95 82.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 73.51 110.302 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.7 mm -56.79 -55.12 21.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 55.23 109.309 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -46.06 -50.39 15.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 74.4 109.26 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -51.73 -61.06 2.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.1 . . . . 74.42 110.349 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -45.86 -58.66 3.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 62.21 109.294 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 72.33 110.976 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.522 ' CB ' HG23 ' A' ' 10' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.289 -0.634 . . . . 75.24 109.289 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.583 ' CZ3' ' HB2' ' A' ' 6' ' ' TYR . 1.4 p-90 -113.68 -174.55 2.49 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.974 -1.121 . . . . 73.32 107.974 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.6 p -135.6 107.39 7.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 53.05 110.407 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.583 ' HB2' ' CZ3' ' A' ' 4' ' ' TRP . 2.5 t80 -95.24 -55.34 3.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 74.1 110.972 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -104.22 -70.05 0.78 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 75.31 109.316 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -174.24 33.01 0.1 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.538 1.149 . . . . 75.13 111.021 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.908 HD12 ' N ' ' A' ' 10' ' ' THR . 0.0 OUTLIER -143.62 120.43 5.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.541 0.789 . . . . 60.12 109.31 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.908 ' N ' HD12 ' A' ' 9' ' ' ILE . 1.3 m -44.73 94.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 65.44 110.413 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.518 ' CD1' ' O ' ' A' ' 9' ' ' ILE . 5.4 m-30 -78.71 141.03 38.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 72.34 110.989 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 72.55 110.308 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.653 ' CD1' ' N ' ' A' ' 23' ' ' ALA . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.463 0.173 . . . . 75.41 110.97 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.653 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -46.71 -46.21 20.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 65.44 109.29 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.0 -45.52 82.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 64.32 109.333 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 40.4 mtp180 -61.59 -35.79 78.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.117 . . . . 63.35 110.284 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.2 mm -57.22 -54.99 23.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 74.45 109.287 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -45.99 -49.34 16.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 60.44 109.298 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -54.35 -60.63 3.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 74.43 110.329 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -46.24 -59.33 2.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 62.11 109.285 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 19.2 mtm . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 73.35 111.049 -179.978 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.475 ' HB2' ' CG2' ' A' ' 10' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.272 -0.64 . . . . 72.42 109.272 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.513 ' CZ3' ' HB2' ' A' ' 6' ' ' TYR . 3.0 p-90 -129.53 152.74 48.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 72.4 108.0 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 32.8 m -112.84 100.8 8.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 64.25 110.375 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.513 ' HB2' ' CZ3' ' A' ' 4' ' ' TRP . 3.7 t80 -102.3 -53.41 2.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.125 . . . . 73.3 111.037 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.524 ' O ' HG22 ' A' ' 9' ' ' ILE . 18.7 t-20 -103.82 27.91 7.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 35.24 109.299 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 69.8 14.5 70.33 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.455 1.097 . . . . 64.52 110.986 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.733 HD12 ' N ' ' A' ' 10' ' ' THR . 0.1 OUTLIER -127.82 122.02 57.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.566 0.804 . . . . 62.22 109.331 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.733 ' N ' HD12 ' A' ' 9' ' ' ILE . 17.4 m -72.23 116.29 12.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 62.5 110.428 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.607 ' CE1' ' O ' ' A' ' 9' ' ' ILE . 3.6 m-85 -88.31 -63.88 1.23 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 73.31 111.017 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.406 ' CB ' ' HA ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 72.41 110.28 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.65 ' CD1' ' N ' ' A' ' 23' ' ' ALA . 0.6 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 CA-C-O 120.482 0.182 . . . . 73.2 110.955 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.65 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -46.92 -39.84 13.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.122 . . . . 72.45 109.28 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.42 ' HG3' ' N ' ' A' ' 25' ' ' ARG . 1.1 ptpt -59.24 -48.73 80.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 64.21 109.292 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.42 ' N ' ' HG3' ' A' ' 24' ' ' LYS . 1.0 OUTLIER -60.64 -32.7 71.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 74.32 110.289 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.9 mm -60.59 -58.22 8.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 54.52 109.291 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -48.07 -48.74 33.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 63.24 109.33 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -53.28 -60.02 3.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 74.14 110.328 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -40.58 -63.17 0.67 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.11 . . . . 72.45 109.306 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 70.22 110.995 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.731 ' HB2' HG22 ' A' ' 10' ' ' THR . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.32 -0.622 . . . . 74.14 109.32 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.517 ' CZ3' ' HB2' ' A' ' 6' ' ' TYR . 1.7 p-90 -115.22 -174.46 2.51 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.985 -1.117 . . . . 74.24 107.985 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 32.4 m -146.71 105.01 3.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 74.34 110.394 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.517 ' HB2' ' CZ3' ' A' ' 4' ' ' TRP . 0.7 OUTLIER -92.64 -63.68 1.2 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 74.43 110.982 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -77.36 -75.23 0.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 73.24 109.29 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.53 ' O ' HG23 ' A' ' 9' ' ' ILE . . . -177.34 34.72 0.08 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.483 1.115 . . . . 75.13 111.045 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.614 ' O ' ' CE1' ' A' ' 11' ' ' TYR . 2.3 pp -156.0 141.49 9.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.479 0.752 . . . . 62.43 109.299 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.731 HG22 ' HB2' ' A' ' 3' ' ' LYS . 2.3 m -78.4 133.65 37.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 71.41 110.35 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.614 ' CE1' ' O ' ' A' ' 9' ' ' ILE . 1.8 m-85 -97.56 -63.65 1.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 74.34 110.977 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 71.32 110.279 -179.978 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.655 ' CD1' ' N ' ' A' ' 23' ' ' ALA . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 CA-C-O 120.523 0.201 . . . . 75.34 111.001 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.655 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -40.05 -29.67 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 65.03 109.312 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.458 ' N ' ' C ' ' A' ' 22' ' ' TYR . 4.5 mttt -68.93 -55.7 10.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 51.51 109.302 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.489 ' HG3' ' N ' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -53.05 -27.96 22.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.107 . . . . 65.5 110.33 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.489 ' N ' ' HG3' ' A' ' 25' ' ' ARG . 5.3 mm -64.81 -62.61 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.422 1.076 . . . . 72.1 109.292 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -43.72 -48.75 7.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 72.44 109.31 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -51.16 -60.11 3.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 62.05 110.347 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -41.36 -59.5 1.54 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 73.04 109.302 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 73.12 110.996 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.812 ' HB3' HG23 ' A' ' 10' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.313 -0.625 . . . . 73.14 109.313 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.506 ' CZ3' ' HB2' ' A' ' 6' ' ' TYR . 10.8 p-90 -126.8 147.94 49.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 64.52 108.006 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.2 p -115.71 103.57 10.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 63.32 110.38 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.506 ' HB2' ' CZ3' ' A' ' 4' ' ' TRP . 2.5 t80 -92.94 -41.84 9.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 75.03 111.001 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -101.53 -77.78 0.54 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 65.4 109.299 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.662 ' O ' HG23 ' A' ' 9' ' ' ILE . . . -169.23 28.31 0.14 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.514 1.134 . . . . 41.53 110.991 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.662 HG23 ' O ' ' A' ' 8' ' ' GLY . 2.3 pp -158.83 146.56 7.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.511 0.771 . . . . 61.42 109.266 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.812 HG23 ' HB3' ' A' ' 3' ' ' LYS . 0.7 OUTLIER -80.82 130.08 34.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.444 1.09 . . . . 75.51 110.427 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.614 ' CE1' ' O ' ' A' ' 9' ' ' ILE . 1.6 m-30 -94.53 -64.06 1.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 73.3 110.994 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.494 ' O ' ' CG ' ' A' ' 3' ' ' LYS . 8.5 pt-20 . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 71.34 110.301 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.62 ' CD1' ' N ' ' A' ' 23' ' ' ALA . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.514 0.197 . . . . 75.21 110.978 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.62 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -43.86 -43.16 6.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 72.03 109.293 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.14 -44.98 96.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 74.5 109.256 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.412 ' N ' ' O ' ' A' ' 22' ' ' TYR . 7.1 mmm180 -58.73 -40.13 82.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.158 . . . . 73.0 110.283 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.496 ' N ' HD13 ' A' ' 26' ' ' ILE . 4.7 mm -54.62 -63.46 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 62.11 109.266 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -44.25 -49.04 9.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 63.02 109.308 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -51.81 -59.89 3.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 72.04 110.29 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -47.92 -59.12 3.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.428 1.08 . . . . 75.33 109.27 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 41.9 mtt . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 60.14 110.988 179.986 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.653 ' HB3' HG23 ' A' ' 10' ' ' THR . 2.5 mttt . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.285 -0.635 . . . . 74.43 109.285 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.575 ' CZ3' ' HB2' ' A' ' 6' ' ' TYR . 1.6 p-90 -110.24 -174.44 2.49 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.004 -1.11 . . . . 75.11 108.004 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 37.1 m -134.73 108.14 7.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 73.4 110.447 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.575 ' HB2' ' CZ3' ' A' ' 4' ' ' TRP . 2.5 t80 -95.74 -62.39 1.3 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.56 1.162 . . . . 73.22 110.971 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -107.15 40.86 1.58 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.089 . . . . 63.34 109.287 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.411 ' C ' ' CG2' ' A' ' 9' ' ' ILE . . . 66.55 37.38 92.54 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.467 1.104 . . . . 61.15 111.002 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.531 HD11 ' CE1' ' A' ' 11' ' ' TYR . 0.9 OUTLIER -151.44 139.36 14.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.524 0.779 . . . . 74.4 109.296 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.653 HG23 ' HB3' ' A' ' 3' ' ' LYS . 0.8 OUTLIER -71.37 109.63 5.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.15 . . . . 71.24 110.388 -179.942 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.531 ' CE1' HD11 ' A' ' 9' ' ' ILE . 3.0 m-30 -80.6 152.41 28.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 71.11 111.019 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 54.04 110.306 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.648 ' CD1' ' N ' ' A' ' 23' ' ' ALA . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.529 0.204 . . . . 71.13 111.014 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.648 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -54.44 -50.29 68.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 74.31 109.322 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -50.27 -31.85 15.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 74.23 109.26 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 13.7 mmm180 -83.76 -25.13 30.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 73.41 110.323 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.415 ' N ' ' O ' ' A' ' 23' ' ' ALA . 6.9 mm -64.09 -58.31 7.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 63.41 109.268 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -48.25 -49.83 31.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 55.53 109.305 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -48.19 -60.7 2.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 73.21 110.298 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -47.31 -60.04 2.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 72.11 109.304 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 8.6 mtt . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 75.44 111.025 -179.984 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.66 ' HB2' HG23 ' A' ' 10' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.275 -0.639 . . . . 74.44 109.275 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.579 ' CZ3' ' HB2' ' A' ' 6' ' ' TYR . 1.7 p-90 -117.51 -174.62 2.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 71.22 107.979 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.4 p -134.95 108.45 7.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 74.0 110.399 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.579 ' HB2' ' CZ3' ' A' ' 4' ' ' TRP . 2.7 t80 -95.61 -62.8 1.23 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 74.2 111.0 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.405 ' ND2' ' CD2' ' A' ' 6' ' ' TYR . 6.1 m-80 -111.67 44.01 1.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 62.42 109.29 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 66.91 33.99 85.73 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.537 1.148 . . . . 63.21 111.02 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.549 HD11 ' CE1' ' A' ' 11' ' ' TYR . 0.7 OUTLIER -146.63 141.4 20.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.508 0.769 . . . . 65.55 109.25 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.66 HG23 ' HB2' ' A' ' 3' ' ' LYS . 0.8 OUTLIER -77.13 116.01 17.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 61.41 110.419 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.549 ' CE1' HD11 ' A' ' 9' ' ' ILE . 3.0 m-85 -85.48 157.43 20.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 65.21 111.009 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 61.22 110.296 -179.988 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.652 ' CD1' ' N ' ' A' ' 23' ' ' ALA . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.474 0.178 . . . . 71.05 111.003 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.652 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -54.4 -52.02 63.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.558 1.161 . . . . 73.34 109.291 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.0 ttmm -47.09 -34.86 6.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 73.32 109.301 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.4 mmm180 -80.36 -30.72 37.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 75.13 110.334 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.451 ' N ' ' O ' ' A' ' 23' ' ' ALA . 7.3 mm -58.26 -57.82 9.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 74.34 109.312 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -49.55 -52.32 30.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 63.11 109.306 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -48.74 -62.72 1.36 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 74.14 110.332 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -44.07 -62.43 1.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 62.0 109.292 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.2 mmt . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 72.3 110.988 -179.994 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.402 ' HB2' ' O ' ' A' ' 11' ' ' TYR . 5.0 tppt? . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 109.289 -0.634 . . . . 72.23 109.289 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.835 ' CH2' ' CD1' ' A' ' 11' ' ' TYR . 7.6 p-90 -151.56 -174.99 5.01 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.016 -1.105 . . . . 74.21 108.016 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.419 ' HA ' ' O ' ' A' ' 9' ' ' ILE . 2.5 p -141.6 105.62 4.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 53.14 110.386 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.514 ' HB3' HD11 ' A' ' 9' ' ' ILE . 21.5 t80 -93.45 -62.29 1.39 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 73.11 110.98 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.434 ' H ' HD11 ' A' ' 9' ' ' ILE . 5.3 t-20 -123.98 64.81 1.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 44.22 109.291 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 54.73 36.75 60.01 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.485 1.116 . . . . 22.45 111.016 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.813 ' O ' HD12 ' A' ' 9' ' ' ILE . 1.1 pp -140.06 146.26 25.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.503 0.767 . . . . 74.24 109.288 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -110.51 124.25 51.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 72.35 110.422 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.835 ' CD1' ' CH2' ' A' ' 4' ' ' TRP . 10.8 m-85 -95.68 163.51 13.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 63.01 110.977 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 65.44 110.282 179.985 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.647 ' CD1' ' N ' ' A' ' 23' ' ' ALA . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.441 0.162 . . . . 72.31 110.963 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.647 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -46.7 -38.29 9.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 73.45 109.303 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.3 tttp -66.43 -48.95 68.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 74.31 109.278 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 45.5 mtp180 -58.6 -33.6 70.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 72.42 110.309 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.7 mm -54.06 -57.63 5.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 64.51 109.282 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -49.61 -47.02 49.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 62.54 109.298 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 29' ' ' ALA . 3.6 mt-10 -54.63 -59.44 4.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.1 . . . . 73.01 110.276 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 28' ' ' GLU . . . -40.21 -59.69 1.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 62.42 109.264 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 75.14 110.975 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.317 -0.623 . . . . 74.4 109.317 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.584 ' CZ3' ' HB2' ' A' ' 6' ' ' TYR . 4.1 p-90 -111.78 -173.14 2.18 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.478 1.112 . . . . 74.32 108.033 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 24.2 m -141.25 110.44 6.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 64.32 110.408 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.584 ' HB2' ' CZ3' ' A' ' 4' ' ' TRP . 6.0 t80 -91.09 -62.75 1.38 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 73.11 111.028 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -127.08 52.13 1.82 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 63.43 109.29 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 67.39 27.51 73.54 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.514 1.134 . . . . 62.41 110.996 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.784 HD12 ' N ' ' A' ' 10' ' ' THR . 0.1 OUTLIER -129.62 122.67 55.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.517 0.775 . . . . 74.32 109.292 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.784 ' N ' HD12 ' A' ' 9' ' ' ILE . 0.9 OUTLIER -78.78 112.72 16.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 73.4 110.409 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.517 ' CE1' HG13 ' A' ' 9' ' ' ILE . 6.0 m-85 -88.02 155.45 19.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 74.02 111.0 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 60.31 110.313 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.633 ' CD1' ' N ' ' A' ' 23' ' ' ALA . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.265 0 CA-C-O 120.499 0.19 . . . . 65.5 110.944 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.633 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -50.79 -50.98 54.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 63.33 109.312 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -49.81 -39.8 39.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 72.3 109.305 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.2 mmm180 -71.84 -36.83 70.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 71.13 110.312 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.3 mm -53.45 -60.68 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 71.21 109.298 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -46.02 -52.93 10.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 72.32 109.293 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -50.1 -62.57 1.5 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 52.24 110.346 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -44.33 -60.01 2.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 51.12 109.319 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.2 mtm . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 64.32 111.028 179.971 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.509 ' HB2' HG23 ' A' ' 10' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.312 -0.625 . . . . 73.02 109.312 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.541 ' CE3' ' HB2' ' A' ' 6' ' ' TYR . 3.3 p-90 -136.01 150.2 49.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 73.31 108.036 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.9 m -111.62 98.01 7.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 62.01 110.402 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.541 ' HB2' ' CE3' ' A' ' 4' ' ' TRP . 0.6 OUTLIER -107.45 96.95 6.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 74.5 110.984 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.438 ' C ' ' O ' ' A' ' 6' ' ' TYR . 7.6 t-20 36.94 54.98 1.21 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 45.53 109.308 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -176.13 -121.35 0.66 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.482 1.114 . . . . 74.52 110.987 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.717 HD12 ' HE1' ' A' ' 11' ' ' TYR . 0.4 OUTLIER -126.89 -171.82 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 0.761 . . . . 74.31 109.284 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.509 HG23 ' HB2' ' A' ' 3' ' ' LYS . 0.7 OUTLIER -65.97 116.94 7.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 74.42 110.397 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.717 ' HE1' HD12 ' A' ' 9' ' ' ILE . 4.2 m-30 -98.14 159.99 14.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 74.21 110.992 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 73.25 110.286 -179.995 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.653 ' CD1' ' N ' ' A' ' 23' ' ' ALA . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.52 0.2 . . . . 62.41 110.996 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.653 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -40.06 -29.47 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 65.11 109.332 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.45 ' N ' ' C ' ' A' ' 22' ' ' TYR . 6.4 tptm -69.51 -59.29 3.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 73.53 109.305 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.493 ' HG3' ' N ' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -49.85 -28.01 5.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 64.34 110.274 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.493 ' N ' ' HG3' ' A' ' 25' ' ' ARG . 7.3 mm -62.7 -60.18 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 73.01 109.309 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -45.05 -49.17 11.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.464 1.103 . . . . 72.35 109.314 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -49.34 -60.94 2.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 73.23 110.301 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -48.83 -58.99 3.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 65.54 109.282 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 4.5 mtm . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 54.42 111.041 -179.972 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.405 ' CG ' HG23 ' A' ' 10' ' ' THR . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.339 -0.615 . . . . 64.42 109.339 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.1 p-90 -137.89 171.74 13.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 74.54 107.986 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 13.9 m -134.95 97.59 3.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.563 1.164 . . . . 70.45 110.403 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.419 ' O ' ' C ' ' A' ' 7' ' ' ASN . 3.4 t80 -107.14 90.59 3.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.147 . . . . 74.14 111.002 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.419 ' C ' ' O ' ' A' ' 6' ' ' TYR . 12.0 m-20 38.18 53.41 1.68 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 71.33 109.267 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -163.62 -110.0 0.24 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.432 1.082 . . . . 75.15 111.014 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.622 ' O ' ' CD1' ' A' ' 11' ' ' TYR . 1.8 pp -146.97 170.4 4.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.46 0.741 . . . . 73.21 109.291 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.405 HG23 ' CG ' ' A' ' 3' ' ' LYS . 1.4 m -48.62 93.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 74.33 110.408 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.622 ' CD1' ' O ' ' A' ' 9' ' ' ILE . 10.0 m-30 -82.86 142.22 31.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 75.32 111.036 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 63.13 110.289 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.63 ' CD1' ' N ' ' A' ' 23' ' ' ALA . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 CA-C-O 120.469 0.176 . . . . 64.12 110.996 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.63 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -42.06 -52.56 4.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 62.42 109.312 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.6 mmtt -46.46 -56.47 5.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 62.23 109.252 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.3 mmm180 -49.76 -42.8 47.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 71.45 110.326 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.463 ' N ' HD13 ' A' ' 26' ' ' ILE . 5.4 mm -54.41 -65.54 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 73.33 109.285 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -44.19 -48.96 9.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 54.33 109.29 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -51.29 -62.72 1.45 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 74.02 110.262 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -47.18 -60.37 2.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.095 . . . . 71.33 109.284 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 13.2 mtm . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 64.33 111.025 179.997 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.695 ' HG3' HG23 ' A' ' 10' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.271 -0.641 . . . . 75.41 109.271 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.566 ' CZ3' ' HB2' ' A' ' 6' ' ' TYR . 1.3 p-90 -119.13 -174.25 2.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 62.14 108.038 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.677 HG23 ' H ' ' A' ' 9' ' ' ILE . 53.7 m -139.6 107.24 5.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 75.1 110.379 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.566 ' HB2' ' CZ3' ' A' ' 4' ' ' TRP . 10.0 t80 -93.54 -46.32 7.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 74.42 110.987 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -128.59 67.47 1.39 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 62.13 109.281 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 46.45 45.89 16.93 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.513 1.133 . . . . 75.22 110.985 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 1.009 HD13 ' CD1' ' A' ' 11' ' ' TYR . 1.2 pp -139.71 166.59 20.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.492 0.76 . . . . 72.45 109.28 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.695 HG23 ' HG3' ' A' ' 3' ' ' LYS . 1.3 m -101.04 70.85 1.37 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 75.34 110.366 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 1.009 ' CD1' HD13 ' A' ' 9' ' ' ILE . 4.2 m-30 -63.98 132.62 51.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 74.23 110.971 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 64.4 110.311 179.967 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.531 ' CG ' ' N ' ' A' ' 23' ' ' ALA . 17.6 p90 . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.455 0.169 . . . . 61.42 111.006 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.531 ' N ' ' CG ' ' A' ' 22' ' ' TYR . . . -41.13 -52.07 3.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.581 1.175 . . . . 74.33 109.284 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.38 -44.44 11.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 72.51 109.304 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.454 ' N ' ' O ' ' A' ' 22' ' ' TYR . 3.2 mmp_? -72.12 -38.33 69.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 74.44 110.257 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 47.1 mm -50.24 -52.12 15.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 71.45 109.27 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -49.76 -52.2 33.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 74.42 109.313 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -51.85 -61.45 2.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 75.32 110.323 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -44.44 -60.24 2.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 54.43 109.297 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.6 mtm . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.585 1.178 . . . . 74.45 111.015 179.956 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.296 -0.631 . . . . 74.12 109.296 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.557 ' CZ3' ' HB2' ' A' ' 6' ' ' TYR . 2.7 p-90 -130.53 -173.17 2.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 72.13 108.021 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 56.5 m -138.45 104.98 5.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 63.35 110.439 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.557 ' HB2' ' CZ3' ' A' ' 4' ' ' TRP . 2.4 t80 -83.56 -62.04 1.68 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 71.3 110.994 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -102.51 -71.23 0.73 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 72.53 109.332 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -167.53 30.67 0.18 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.44 1.088 . . . . 65.25 110.998 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.539 HD11 ' CE1' ' A' ' 11' ' ' TYR . 0.8 OUTLIER -135.87 138.72 47.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.491 0.759 . . . . 72.02 109.289 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.5 m -70.84 108.16 4.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.163 . . . . 74.44 110.383 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.539 ' CE1' HD11 ' A' ' 9' ' ' ILE . 2.8 m-85 -80.92 148.6 29.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 65.25 111.047 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 75.25 110.294 -179.979 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.65 ' CD1' ' N ' ' A' ' 23' ' ' ALA . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.487 0.185 . . . . 71.25 110.986 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.65 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -50.58 -48.88 57.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 73.2 109.32 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.83 -48.72 4.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 65.22 109.289 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.3 mtp180 -66.86 -40.17 87.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 71.41 110.27 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 16.1 mm -52.01 -51.22 31.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 64.02 109.282 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -46.55 -53.23 11.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 71.42 109.271 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -48.36 -59.54 3.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.557 1.161 . . . . 72.21 110.35 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -44.68 -55.17 5.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 73.14 109.292 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 28.6 mtp . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 71.33 110.999 -179.961 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.307 -0.627 . . . . 64.01 109.307 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.801 ' CZ2' ' CD2' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -149.53 -175.02 4.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 72.53 108.014 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.457 ' HA ' ' O ' ' A' ' 9' ' ' ILE . 2.5 m -134.91 101.3 4.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 73.34 110.431 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -115.53 98.44 6.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 74.42 111.014 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.2 t30 65.87 54.39 1.04 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 73.53 109.263 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 54.48 57.15 18.54 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.549 1.155 . . . . 62.42 111.036 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.463 HG21 ' CE1' ' A' ' 11' ' ' TYR . 0.9 OUTLIER -137.98 148.88 24.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.507 0.769 . . . . 65.32 109.281 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.3 m -121.2 110.55 16.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 72.11 110.386 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.801 ' CD2' ' CZ2' ' A' ' 4' ' ' TRP . 9.6 m-85 -88.09 151.84 22.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.1 . . . . 75.0 110.987 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.113 . . . . 74.41 110.313 179.96 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.656 ' CD1' ' N ' ' A' ' 23' ' ' ALA . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 CA-C-O 120.515 0.198 . . . . 72.43 111.024 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.656 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -44.44 -26.54 0.36 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 71.45 109.299 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.417 ' N ' ' C ' ' A' ' 22' ' ' TYR . 9.2 tppt? -74.54 -63.24 1.28 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 74.45 109.304 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.484 ' HG3' ' N ' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -47.32 -27.7 1.7 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 75.12 110.301 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.484 ' N ' ' HG3' ' A' ' 25' ' ' ARG . 6.2 mm -57.0 -57.75 8.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 62.11 109.32 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -49.35 -50.86 38.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 42.14 109.292 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -50.01 -59.87 3.47 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.527 1.142 . . . . 75.41 110.327 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -49.02 -59.68 3.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 73.54 109.26 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 2.0 mtt . . . . . 0 C--N 1.324 -0.529 0 O-C-N 124.504 1.127 . . . . 74.41 110.993 179.983 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.534 ' HA ' HG23 ' A' ' 10' ' ' THR . 32.6 ttmt . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.321 -0.622 . . . . 73.31 109.321 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.543 ' CZ3' ' HB2' ' A' ' 6' ' ' TYR . 2.6 p-90 -90.43 175.12 7.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 74.21 108.025 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.4 p -125.02 112.5 16.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 64.05 110.406 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.543 ' HB2' ' CZ3' ' A' ' 4' ' ' TRP . 3.8 t80 -103.6 -55.07 2.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 65.3 110.995 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -115.96 43.38 2.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 52.53 109.264 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 67.27 31.25 76.77 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.497 1.123 . . . . 72.13 111.008 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.544 HD11 ' CE1' ' A' ' 11' ' ' TYR . 0.7 OUTLIER -143.39 140.48 26.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.514 0.773 . . . . 73.54 109.271 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.534 HG23 ' HA ' ' A' ' 3' ' ' LYS . 1.2 m -73.54 109.03 6.74 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.116 . . . . 74.34 110.364 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.544 ' CE1' HD11 ' A' ' 9' ' ' ILE . 2.8 m-85 -81.06 151.65 28.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 73.12 110.958 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 74.33 110.356 179.92 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.598 ' CG ' ' N ' ' A' ' 23' ' ' ALA . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.347 0 CA-C-O 120.552 0.215 . . . . 75.31 111.027 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.598 ' N ' ' CG ' ' A' ' 22' ' ' TYR . . . -41.59 -53.32 3.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 70.41 109.315 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -49.39 -52.89 25.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 74.4 109.321 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.8 mmm180 -51.94 -43.62 63.56 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.47 1.106 . . . . 71.12 110.286 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.443 ' N ' HD13 ' A' ' 26' ' ' ILE . 5.7 mm -51.28 -63.55 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 71.15 109.315 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -45.31 -50.67 11.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 61.1 109.281 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -50.09 -62.83 1.35 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 74.13 110.328 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -41.88 -61.42 1.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.56 1.162 . . . . 74.01 109.329 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 37.8 mtt . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 74.52 111.003 179.964 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.856 ' CB ' HG23 ' A' ' 10' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.292 -0.633 . . . . 75.55 109.292 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.799 ' CZ2' ' CD2' ' A' ' 11' ' ' TYR . 43.7 p-90 -127.22 106.16 9.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 71.11 107.986 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.2 p -78.43 99.36 6.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.095 . . . . 62.4 110.395 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.496 ' HB2' ' CZ3' ' A' ' 4' ' ' TRP . 0.8 OUTLIER -96.21 -62.26 1.31 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 64.55 111.01 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.559 ' O ' HG22 ' A' ' 9' ' ' ILE . 7.5 t30 -114.46 46.49 1.37 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 54.2 109.281 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 62.39 33.08 85.15 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.499 1.124 . . . . 55.45 110.985 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.951 HD12 ' N ' ' A' ' 10' ' ' THR . 0.1 OUTLIER -136.27 132.74 49.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.495 0.762 . . . . 65.53 109.317 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.951 ' N ' HD12 ' A' ' 9' ' ' ILE . 8.6 m -89.39 107.39 19.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.434 1.084 . . . . 74.35 110.379 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.799 ' CD2' ' CZ2' ' A' ' 4' ' ' TRP . 6.6 m-85 -81.87 -81.32 0.14 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.417 1.073 . . . . 74.42 111.007 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.47 ' HB2' ' CG ' ' A' ' 3' ' ' LYS . 1.1 tm-20 . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 75.11 110.327 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.647 ' CD1' ' N ' ' A' ' 23' ' ' ALA . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.466 0.174 . . . . 72.11 111.005 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.647 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -40.32 -51.45 2.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 74.23 109.33 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.54 -59.2 4.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 72.34 109.304 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 24.0 mtp180 -43.83 -42.09 5.44 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 73.32 110.285 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.59 ' N ' HD13 ' A' ' 26' ' ' ILE . 3.3 mm -55.43 -61.37 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 72.25 109.308 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -44.82 -46.78 10.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 73.15 109.262 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -56.19 -63.06 1.31 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 73.21 110.296 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -44.23 -56.93 3.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 74.02 109.311 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 2.0 mtm . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 75.42 110.996 179.954 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.315 -0.624 . . . . 74.1 109.315 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.526 ' CZ3' ' HB2' ' A' ' 6' ' ' TYR . 9.3 p-90 -120.85 -172.91 2.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 72.2 107.978 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.462 ' CG2' ' HA2' ' A' ' 8' ' ' GLY . 89.6 m -148.58 112.64 5.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 61.03 110.382 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.526 ' HB2' ' CZ3' ' A' ' 4' ' ' TRP . 7.2 t80 -84.66 -56.61 3.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 75.11 110.967 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.612 ' H ' HD12 ' A' ' 9' ' ' ILE . 3.6 t-20 -133.62 13.96 4.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.561 1.163 . . . . 73.14 109.328 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.462 ' HA2' ' CG2' ' A' ' 5' ' ' THR . . . 99.67 46.61 1.92 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.518 1.136 . . . . 62.43 110.998 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.612 HD12 ' H ' ' A' ' 7' ' ' ASN . 2.7 mp -112.99 -19.62 6.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.474 0.749 . . . . 70.53 109.268 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.764 ' O ' HG22 ' A' ' 10' ' ' THR . 1.5 m 65.15 54.97 1.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 61.24 110.416 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.555 ' HE1' HD13 ' A' ' 9' ' ' ILE . 8.3 m-85 -57.85 135.85 56.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 74.43 110.989 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 19.6 pt-20 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 71.31 110.312 -179.987 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.552 ' CE2' HG13 ' A' ' 26' ' ' ILE . 14.4 p90 . . . . . 0 N--CA 1.453 -0.277 0 CA-C-O 120.455 0.169 . . . . 73.1 110.945 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.403 ' N ' ' CG ' ' A' ' 22' ' ' TYR . . . -40.59 -51.57 2.95 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.48 1.112 . . . . 44.44 109.274 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.8 ptmt -47.62 -44.4 26.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.459 1.099 . . . . 74.04 109.306 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.479 ' N ' ' O ' ' A' ' 22' ' ' TYR . 1.9 mmp_? -67.49 -39.59 85.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 63.13 110.331 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.552 HG13 ' CE2' ' A' ' 22' ' ' TYR . 18.8 mm -51.13 -61.0 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.537 1.148 . . . . 73.22 109.315 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -48.09 -53.88 15.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 62.31 109.288 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -45.65 -61.22 1.8 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.103 . . . . 73.04 110.288 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -50.13 -61.56 2.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 71.55 109.326 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.1 mtt . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 72.33 110.961 179.979 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.318 -0.623 . . . . 71.5 109.318 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.767 ' CH2' ' CG ' ' A' ' 11' ' ' TYR . 11.0 p-90 -154.39 -175.04 5.21 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.017 -1.105 . . . . 74.25 108.017 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.2 m -151.13 105.05 3.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 62.22 110.356 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 39.8 t80 -98.43 -63.17 1.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 72.11 110.965 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.432 ' O ' HG22 ' A' ' 9' ' ' ILE . 8.2 m-20 -112.09 47.89 1.02 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.5 1.125 . . . . 75.11 109.292 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 61.58 32.84 82.81 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.481 1.113 . . . . 54.11 110.956 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.777 HD12 ' N ' ' A' ' 10' ' ' THR . 0.1 OUTLIER -129.33 126.05 63.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.468 0.746 . . . . 75.35 109.313 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.777 ' N ' HD12 ' A' ' 9' ' ' ILE . 1.1 m -82.9 117.46 22.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 71.23 110.392 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.767 ' CG ' ' CH2' ' A' ' 4' ' ' TRP . 24.2 m-85 -97.12 156.11 16.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 74.22 111.025 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 75.54 110.318 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.61 ' CG ' ' N ' ' A' ' 23' ' ' ALA . 1.2 p90 . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.466 0.174 . . . . 64.34 110.979 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.61 ' N ' ' CG ' ' A' ' 22' ' ' TYR . . . -39.47 -29.47 0.05 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 64.32 109.279 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.461 ' N ' ' C ' ' A' ' 22' ' ' TYR . 3.2 ttmt -75.17 -53.93 7.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 75.52 109.29 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.533 ' HG3' ' N ' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -58.08 -23.47 54.78 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 73.04 110.307 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.568 HG13 ' CE1' ' A' ' 22' ' ' TYR . 27.8 mm -58.3 -57.4 10.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.556 1.16 . . . . 72.15 109.285 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.03 -53.64 53.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.163 . . . . 61.23 109.323 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -45.95 -60.24 2.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.153 . . . . 64.22 110.295 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.513 ' CB ' ' NH2' ' A' ' 25' ' ' ARG . . . -41.04 -63.52 0.66 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 55.14 109.309 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 74.3 111.064 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.706 ' CB ' HG23 ' A' ' 10' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.309 -0.626 . . . . 73.55 109.309 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.666 ' CZ2' ' CD2' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -111.78 -10.84 14.01 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.558 1.161 . . . . 62.12 107.995 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.447 HG22 ' O ' ' A' ' 5' ' ' THR . 50.7 m 60.69 54.98 3.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 74.51 110.398 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.598 ' HB2' ' CE3' ' A' ' 4' ' ' TRP . 1.0 OUTLIER -82.83 151.46 26.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 71.11 111.008 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 49.46 25.6 1.4 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 75.13 109.265 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 68.51 37.46 85.41 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.485 1.116 . . . . 63.11 110.993 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.544 HD11 ' CE1' ' A' ' 11' ' ' TYR . 0.7 OUTLIER -148.3 141.15 18.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.505 0.768 . . . . 63.0 109.265 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.706 HG23 ' CB ' ' A' ' 3' ' ' LYS . 1.0 OUTLIER -81.2 119.81 24.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 53.33 110.359 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.666 ' CD2' ' CZ2' ' A' ' 4' ' ' TRP . 3.6 m-85 -87.65 160.63 18.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 71.54 110.972 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 75.55 110.292 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.568 ' CD1' ' N ' ' A' ' 23' ' ' ALA . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.263 0 CA-C-O 120.54 0.21 . . . . 74.32 111.012 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.568 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -52.35 -50.13 62.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 65.21 109.301 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.718 ' HG2' HH21 ' A' ' 25' ' ' ARG . 1.7 tttt -41.48 -48.22 3.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 75.43 109.253 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.718 HH21 ' HG2' ' A' ' 24' ' ' LYS . 5.4 mmp_? -67.86 -43.38 79.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 75.52 110.244 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 10.4 mm -46.61 -58.51 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 62.42 109.3 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -47.47 -54.29 11.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.46 1.1 . . . . 75.15 109.271 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -48.16 -61.41 2.0 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 75.35 110.274 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -45.38 -63.97 0.83 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.095 . . . . 51.12 109.318 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 44.42 110.948 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.487 ' H2 ' ' C ' ' A' ' 14' ' ' GLY . 3.5 ttp85 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.303 -0.258 . . . . 64.24 110.303 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 90.91 118.38 2.09 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.555 1.159 . . . . 54.01 111.032 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.489 ' HB2' HG23 ' A' ' 10' ' ' THR . 0.0 OUTLIER -54.09 145.32 17.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 0.787 . . . . 75.42 109.322 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.659 ' CZ2' ' CD2' ' A' ' 11' ' ' TYR . 1.5 p-90 -107.98 -174.23 2.47 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.548 1.155 . . . . 75.11 107.974 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.6 p -138.25 107.81 6.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 72.31 110.404 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.575 ' HB2' ' CZ3' ' A' ' 4' ' ' TRP . 7.8 t80 -92.96 -62.81 1.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 74.33 110.985 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.41 ' O ' HG22 ' A' ' 9' ' ' ILE . 32.0 m-20 -131.12 55.39 1.85 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 73.33 109.275 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 67.34 23.52 73.39 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.449 1.093 . . . . 53.04 111.014 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.79 HD12 ' N ' ' A' ' 10' ' ' THR . 0.1 OUTLIER -125.69 122.11 61.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.483 0.754 . . . . 62.01 109.325 179.941 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.79 ' N ' HD12 ' A' ' 9' ' ' ILE . 0.8 OUTLIER -78.19 112.24 14.96 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 74.4 110.403 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.659 ' CD2' ' CZ2' ' A' ' 4' ' ' TRP . 5.7 m-85 -87.15 156.16 19.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 75.51 110.976 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -125.95 165.57 18.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.567 1.167 . . . . 55.21 110.311 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 105.67 62.93 0.63 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.452 1.095 . . . . 62.5 111.021 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.487 ' C ' ' H2 ' ' A' ' 1' ' ' ARG . . . 55.78 -101.33 0.12 Allowed Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.975 -0.85 . . . . 73.41 110.975 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -140.7 167.0 25.73 Favored Glycine 0 CA--C 1.531 1.044 0 N-CA-C 110.987 -0.845 . . . . 64.53 110.987 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -106.29 115.52 4.79 Favored Glycine 0 CA--C 1.53 1.031 0 N-CA-C 110.973 -0.851 . . . . 74.2 110.973 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.03 164.03 13.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 0.744 . . . . 75.15 110.056 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -97.17 -39.05 9.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 74.42 109.31 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.65 -32.18 73.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 65.2 109.293 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 23' ' ' ALA . 0.6 OUTLIER -58.97 -15.51 13.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 63.32 110.326 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 20' ' ' GLU . . . -39.94 -50.95 2.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 52.51 109.303 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.602 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 0.2 OUTLIER -69.33 -35.7 76.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.103 . . . . 73.13 111.039 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.463 ' N ' ' CG ' ' A' ' 22' ' ' TYR . . . -58.29 -61.2 2.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 71.43 109.278 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.547 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 1.0 OUTLIER -40.21 -42.53 1.5 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 72.33 109.273 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 34.1 mtp85 -66.16 -53.25 39.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 73.31 110.267 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.484 HD12 ' HE1' ' A' ' 22' ' ' TYR . 6.2 mt -52.68 -24.38 6.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 62.03 109.279 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.547 ' HB3' ' O ' ' A' ' 24' ' ' LYS . . . -40.41 -35.93 0.49 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 72.34 109.299 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -74.82 -59.55 2.68 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 71.24 110.296 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -40.53 -45.59 2.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 53.45 109.303 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.2 mtm -47.75 -55.26 9.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 73.53 110.982 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.4 148.9 35.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 62.4 109.311 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.5 tttt -165.06 160.17 18.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 72.45 109.272 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.508 1.13 . . . . 52.1 110.992 -179.987 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 22.3 mmt-85 . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 110.312 -0.255 . . . . 63.14 110.312 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 172.69 97.28 0.11 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.487 1.117 . . . . 71.3 110.972 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.9 158.61 3.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 0.771 . . . . 70.12 109.316 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.576 ' CE3' ' HB2' ' A' ' 6' ' ' TYR . 7.8 p-90 -124.06 105.67 9.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 72.21 108.01 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 23.8 m -67.55 94.43 0.41 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.135 . . . . 72.11 110.374 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.576 ' HB2' ' CE3' ' A' ' 4' ' ' TRP . 0.3 OUTLIER -111.52 134.18 53.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 74.23 110.987 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.3 t30 68.83 24.99 6.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 53.41 109.353 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 70.42 32.29 68.19 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.476 1.11 . . . . 63.11 110.989 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.985 HD11 ' CE1' ' A' ' 11' ' ' TYR . 0.7 OUTLIER -146.62 140.5 20.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.474 0.749 . . . . 63.05 109.335 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -94.55 137.41 33.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 74.13 110.409 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.985 ' CE1' HD11 ' A' ' 9' ' ' ILE . 3.7 m-85 -100.48 -175.43 2.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 72.24 111.019 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -114.39 -47.95 2.9 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.151 . . . . 73.51 110.325 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 136.34 58.79 0.06 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.43 1.081 . . . . 75.1 110.984 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 39.94 -149.95 0.12 Allowed Glycine 0 CA--C 1.53 0.988 0 N-CA-C 111.033 -0.827 . . . . 52.12 111.033 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -91.36 53.7 3.14 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.972 -0.851 . . . . 61.34 110.972 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 154.62 -118.49 0.86 Allowed Glycine 0 CA--C 1.529 0.962 0 N-CA-C 111.008 -0.837 . . . . 73.15 111.008 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.0 t -152.67 164.29 38.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 0.742 . . . . 74.4 110.021 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -102.93 -37.28 7.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 24.21 109.299 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.413 ' C ' ' N ' ' A' ' 21' ' ' ALA . . . -67.63 -20.84 65.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.091 . . . . 72.53 109.3 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -43.21 -27.16 0.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 74.44 110.304 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.413 ' N ' ' C ' ' A' ' 19' ' ' ALA . . . -40.78 -52.27 3.01 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.503 1.127 . . . . 63.34 109.275 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.642 ' CD1' ' N ' ' A' ' 23' ' ' ALA . 0.5 OUTLIER -120.56 -39.74 2.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 71.34 110.97 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.642 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -49.21 -45.47 44.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 61.11 109.277 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.811 ' HD2' HH21 ' A' ' 25' ' ' ARG . 0.0 OUTLIER -53.35 -44.88 68.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.567 1.167 . . . . 73.32 109.307 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.811 HH21 ' HD2' ' A' ' 24' ' ' LYS . 1.1 mmp_? -65.44 -35.95 82.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 73.51 110.302 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.7 mm -56.79 -55.12 21.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 55.23 109.309 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -46.06 -50.39 15.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 74.4 109.26 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -51.73 -61.06 2.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.1 . . . . 74.42 110.349 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -45.86 -58.66 3.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 62.21 109.294 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -42.57 -54.28 4.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 72.33 110.976 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 53.6 42.24 31.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 32.44 109.308 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.0 tttp 69.29 25.09 5.69 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.459 1.099 . . . . 75.33 109.261 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.521 1.138 . . . . 43.34 111.018 179.983 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.276 -0.268 . . . . 70.14 110.276 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 62.43 173.97 1.99 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.495 1.122 . . . . 60.22 111.014 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.522 ' CB ' HG23 ' A' ' 10' ' ' THR . 0.0 OUTLIER -57.16 147.58 24.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 0.785 . . . . 75.24 109.289 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.583 ' CZ3' ' HB2' ' A' ' 6' ' ' TYR . 1.4 p-90 -113.68 -174.55 2.49 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.974 -1.121 . . . . 73.32 107.974 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.6 p -135.6 107.39 7.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 53.05 110.407 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.583 ' HB2' ' CZ3' ' A' ' 4' ' ' TRP . 2.5 t80 -95.24 -55.34 3.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 74.1 110.972 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -104.22 -70.05 0.78 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 75.31 109.316 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -174.24 33.01 0.1 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.538 1.149 . . . . 75.13 111.021 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.908 HD12 ' N ' ' A' ' 10' ' ' THR . 0.0 OUTLIER -143.62 120.43 5.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.541 0.789 . . . . 60.12 109.31 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.908 ' N ' HD12 ' A' ' 9' ' ' ILE . 1.3 m -44.73 94.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 65.44 110.413 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.518 ' CD1' ' O ' ' A' ' 9' ' ' ILE . 5.4 m-30 -78.71 141.03 38.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 72.34 110.989 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.01 -32.6 13.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 72.55 110.308 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 80.69 119.27 0.41 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.444 1.09 . . . . 72.04 111.025 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -88.61 -105.32 1.01 Allowed Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.038 -0.825 . . . . 74.3 111.038 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -113.57 84.38 0.36 Allowed Glycine 0 CA--C 1.53 0.973 0 N-CA-C 110.996 -0.842 . . . . 50.41 110.996 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.73 -165.13 0.99 Allowed Glycine 0 CA--C 1.531 1.032 0 N-CA-C 111.003 -0.839 . . . . 71.43 111.003 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -93.37 136.04 34.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 0.792 . . . . 74.51 109.972 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.529 ' O ' ' HB3' ' A' ' 21' ' ' ALA . . . -48.23 -56.74 7.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 72.43 109.297 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.41 ' O ' ' N ' ' A' ' 21' ' ' ALA . . . -58.45 -56.86 16.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 73.54 109.307 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.445 ' HA ' ' HB3' ' A' ' 23' ' ' ALA . 0.4 OUTLIER -40.13 -29.64 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 72.41 110.288 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.529 ' HB3' ' O ' ' A' ' 18' ' ' ALA . . . -45.21 -63.09 1.01 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 64.51 109.337 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.653 ' CD1' ' N ' ' A' ' 23' ' ' ALA . 0.6 OUTLIER -91.1 -40.01 11.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.107 . . . . 75.41 110.97 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.653 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -46.71 -46.21 20.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 65.44 109.29 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.0 -45.52 82.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 64.32 109.333 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 40.4 mtp180 -61.59 -35.79 78.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.117 . . . . 63.35 110.284 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.2 mm -57.22 -54.99 23.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 74.45 109.287 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -45.99 -49.34 16.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 60.44 109.298 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.439 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 5.5 mt-10 -54.35 -60.63 3.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 74.43 110.329 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -46.24 -59.33 2.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 62.11 109.285 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 19.2 mtm -38.35 -53.59 1.49 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 73.35 111.049 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.439 ' HB3' ' O ' ' A' ' 28' ' ' GLU . . . -41.99 -61.59 1.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 64.04 109.328 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.5 tppp? -48.46 -63.38 1.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 72.4 109.324 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.511 1.132 . . . . 62.44 110.959 179.937 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 33.0 ptt-85 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.271 -0.27 . . . . 71.23 110.271 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 172.46 135.17 1.92 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.516 1.135 . . . . 74.13 110.984 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.475 ' HB2' ' CG2' ' A' ' 10' ' ' THR . 0.0 OUTLIER -56.94 151.69 14.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 0.779 . . . . 72.42 109.272 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.513 ' CZ3' ' HB2' ' A' ' 6' ' ' TYR . 3.0 p-90 -129.53 152.74 48.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 72.4 108.0 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 32.8 m -112.84 100.8 8.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 64.25 110.375 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.513 ' HB2' ' CZ3' ' A' ' 4' ' ' TRP . 3.7 t80 -102.3 -53.41 2.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.125 . . . . 73.3 111.037 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.524 ' O ' HG22 ' A' ' 9' ' ' ILE . 18.7 t-20 -103.82 27.91 7.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 35.24 109.299 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 69.8 14.5 70.33 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.455 1.097 . . . . 64.52 110.986 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.733 HD12 ' N ' ' A' ' 10' ' ' THR . 0.1 OUTLIER -127.82 122.02 57.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.566 0.804 . . . . 62.22 109.331 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.733 ' N ' HD12 ' A' ' 9' ' ' ILE . 17.4 m -72.23 116.29 12.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 62.5 110.428 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.607 ' CE1' ' O ' ' A' ' 9' ' ' ILE . 3.6 m-85 -88.31 -63.88 1.23 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 73.31 111.017 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.406 ' CB ' ' HA ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -68.95 175.59 3.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 72.41 110.28 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 84.35 -123.43 6.23 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.517 1.136 . . . . 30.15 111.024 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 69.02 176.95 13.68 Favored Glycine 0 CA--C 1.529 0.955 0 N-CA-C 111.043 -0.823 . . . . 65.15 111.043 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -163.95 -71.23 0.02 OUTLIER Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.963 -0.855 . . . . 44.55 110.963 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.475 ' O ' ' N ' ' A' ' 18' ' ' ALA . . . -160.74 128.68 1.99 Allowed Glycine 0 CA--C 1.53 1.024 0 N-CA-C 111.031 -0.828 . . . . 43.32 111.031 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.51 ' CB ' ' HB2' ' A' ' 20' ' ' GLU . 26.0 m -63.67 75.01 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 0.792 . . . . 75.25 110.018 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.475 ' N ' ' O ' ' A' ' 16' ' ' GLY . . . -59.71 -47.16 86.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.411 1.07 . . . . 71.12 109.277 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.466 ' O ' ' CD2' ' A' ' 22' ' ' TYR . . . -117.25 -7.88 11.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 74.12 109.29 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.739 ' HA ' ' HB3' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -66.63 -21.11 66.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 71.22 110.335 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -48.05 -41.35 25.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 64.4 109.308 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.65 ' CD1' ' N ' ' A' ' 23' ' ' ALA . 0.6 OUTLIER -97.85 -39.46 9.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 73.2 110.955 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.739 ' HB3' ' HA ' ' A' ' 20' ' ' GLU . . . -46.92 -39.84 13.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.122 . . . . 72.45 109.28 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.42 ' HG3' ' N ' ' A' ' 25' ' ' ARG . 1.1 ptpt -59.24 -48.73 80.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 64.21 109.292 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.42 ' N ' ' HG3' ' A' ' 24' ' ' LYS . 1.0 OUTLIER -60.64 -32.7 71.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 74.32 110.289 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.9 mm -60.59 -58.22 8.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 54.52 109.291 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -48.07 -48.74 33.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 63.24 109.33 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -53.28 -60.02 3.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 74.14 110.328 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -40.58 -63.17 0.67 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.11 . . . . 72.45 109.306 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -41.05 -59.66 1.41 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 70.22 110.995 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 49.38 30.82 3.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 61.44 109.309 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -87.73 149.82 23.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 74.45 109.292 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.512 1.133 . . . . 54.41 111.0 -179.988 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.321 -0.251 . . . . 70.43 110.321 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 152.19 81.26 0.03 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.474 1.109 . . . . 74.04 110.952 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.731 ' HB2' HG22 ' A' ' 10' ' ' THR . 0.1 OUTLIER -54.98 139.85 39.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 0.766 . . . . 74.14 109.32 179.943 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.517 ' CZ3' ' HB2' ' A' ' 6' ' ' TYR . 1.7 p-90 -115.22 -174.46 2.51 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.985 -1.117 . . . . 74.24 107.985 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 32.4 m -146.71 105.01 3.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 74.34 110.394 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.517 ' HB2' ' CZ3' ' A' ' 4' ' ' TRP . 0.7 OUTLIER -92.64 -63.68 1.2 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 74.43 110.982 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -77.36 -75.23 0.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 73.24 109.29 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.53 ' O ' HG23 ' A' ' 9' ' ' ILE . . . -177.34 34.72 0.08 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.483 1.115 . . . . 75.13 111.045 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.614 ' O ' ' CE1' ' A' ' 11' ' ' TYR . 2.3 pp -156.0 141.49 9.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.479 0.752 . . . . 62.43 109.299 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.731 HG22 ' HB2' ' A' ' 3' ' ' LYS . 2.3 m -78.4 133.65 37.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 71.41 110.35 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.614 ' CE1' ' O ' ' A' ' 9' ' ' ILE . 1.8 m-85 -97.56 -63.65 1.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 74.34 110.977 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -68.82 169.18 11.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 71.32 110.279 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 118.01 -170.8 13.76 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.526 1.141 . . . . 74.31 110.992 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -140.96 175.5 22.13 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 110.979 -0.848 . . . . 34.14 110.979 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 98.87 -133.39 11.28 Favored Glycine 0 CA--C 1.53 0.978 0 N-CA-C 111.001 -0.84 . . . . 54.13 111.001 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -105.31 -146.72 14.93 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.021 -0.831 . . . . 63.35 111.021 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.442 ' O ' ' CG ' ' A' ' 20' ' ' GLU . 0.2 OUTLIER -85.3 171.17 12.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 0.763 . . . . 71.43 109.985 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.445 ' O ' ' CB ' ' A' ' 21' ' ' ALA . . . -40.18 -30.01 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 63.24 109.313 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.436 ' N ' ' C ' ' A' ' 17' ' ' SER . . . -53.92 -51.85 62.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 63.5 109.324 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.618 ' HA ' ' HB3' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -40.01 -29.21 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.135 . . . . 73.21 110.33 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.445 ' CB ' ' O ' ' A' ' 18' ' ' ALA . . . -40.6 -61.05 1.0 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.553 1.158 . . . . 64.23 109.281 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.655 ' CD1' ' N ' ' A' ' 23' ' ' ALA . 0.6 OUTLIER -74.34 -43.14 57.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.16 . . . . 75.34 111.001 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.655 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -40.05 -29.67 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 65.03 109.312 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.458 ' N ' ' C ' ' A' ' 22' ' ' TYR . 4.5 mttt -68.93 -55.7 10.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 51.51 109.302 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.489 ' HG3' ' N ' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -53.05 -27.96 22.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.107 . . . . 65.5 110.33 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.489 ' N ' ' HG3' ' A' ' 25' ' ' ARG . 5.3 mm -64.81 -62.61 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.422 1.076 . . . . 72.1 109.292 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -43.72 -48.75 7.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 72.44 109.31 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -51.16 -60.11 3.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 62.05 110.347 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -41.36 -59.5 1.54 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 73.04 109.302 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -46.21 -55.46 7.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 73.12 110.996 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.51 113.2 7.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 51.32 109.327 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.92 170.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 71.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.447 1.092 . . . . 63.0 111.007 -179.998 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.295 -0.261 . . . . 74.23 110.295 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 154.23 -74.47 0.24 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.511 1.132 . . . . 53.53 110.968 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.812 ' HB3' HG23 ' A' ' 10' ' ' THR . 0.0 OUTLIER -70.05 150.2 46.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 0.759 . . . . 73.14 109.313 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.506 ' CZ3' ' HB2' ' A' ' 6' ' ' TYR . 10.8 p-90 -126.8 147.94 49.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 64.52 108.006 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.2 p -115.71 103.57 10.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 63.32 110.38 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.506 ' HB2' ' CZ3' ' A' ' 4' ' ' TRP . 2.5 t80 -92.94 -41.84 9.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 75.03 111.001 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -101.53 -77.78 0.54 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 65.4 109.299 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.662 ' O ' HG23 ' A' ' 9' ' ' ILE . . . -169.23 28.31 0.14 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.514 1.134 . . . . 41.53 110.991 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.662 HG23 ' O ' ' A' ' 8' ' ' GLY . 2.3 pp -158.83 146.56 7.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.511 0.771 . . . . 61.42 109.266 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.812 HG23 ' HB3' ' A' ' 3' ' ' LYS . 0.7 OUTLIER -80.82 130.08 34.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.444 1.09 . . . . 75.51 110.427 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.614 ' CE1' ' O ' ' A' ' 9' ' ' ILE . 1.6 m-30 -94.53 -64.06 1.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 73.3 110.994 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.494 ' O ' ' CG ' ' A' ' 3' ' ' LYS . 8.5 pt-20 -84.45 165.18 18.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 71.34 110.301 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 147.56 -173.12 27.77 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.468 1.105 . . . . 63.02 111.006 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -81.47 150.08 29.58 Favored Glycine 0 CA--C 1.531 1.059 0 N-CA-C 111.017 -0.833 . . . . 72.42 111.017 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -168.78 -72.28 0.03 OUTLIER Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.023 -0.831 . . . . 64.41 111.023 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -42.28 158.45 0.06 OUTLIER Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.997 -0.841 . . . . 54.24 110.997 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 34.2 m -62.81 153.06 34.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 0.785 . . . . 72.43 109.988 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.59 -30.0 68.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 34.32 109.266 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.607 ' HB1' ' CE2' ' A' ' 22' ' ' TYR . . . -56.78 -23.27 42.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 71.53 109.306 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.553 ' HA ' ' HB3' ' A' ' 23' ' ' ALA . 13.8 pt-20 -45.0 -27.39 0.54 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 73.54 110.317 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -49.68 -71.22 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 73.42 109.299 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.62 ' CD1' ' N ' ' A' ' 23' ' ' ALA . 0.5 OUTLIER -67.4 -42.86 82.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 75.21 110.978 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.62 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -43.86 -43.16 6.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 72.03 109.293 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.14 -44.98 96.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 74.5 109.256 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.412 ' N ' ' O ' ' A' ' 22' ' ' TYR . 7.1 mmm180 -58.73 -40.13 82.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.158 . . . . 73.0 110.283 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.496 ' N ' HD13 ' A' ' 26' ' ' ILE . 4.7 mm -54.62 -63.46 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 62.11 109.266 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -44.25 -49.04 9.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 63.02 109.308 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -51.81 -59.89 3.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 72.04 110.29 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -47.92 -59.12 3.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.428 1.08 . . . . 75.33 109.27 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 41.9 mtt -38.09 -54.75 1.33 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 60.14 110.988 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.45 90.51 0.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 65.03 109.268 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.33 -65.11 0.82 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 74.12 109.315 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.431 1.082 . . . . 75.03 111.005 -179.979 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.281 -0.266 . . . . 63.43 110.281 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -159.51 133.92 3.53 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.482 1.114 . . . . 50.35 110.991 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.653 ' HB3' HG23 ' A' ' 10' ' ' THR . 2.5 mttt -62.93 148.64 46.84 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 0.771 . . . . 74.43 109.285 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.575 ' CZ3' ' HB2' ' A' ' 6' ' ' TYR . 1.6 p-90 -110.24 -174.44 2.49 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.004 -1.11 . . . . 75.11 108.004 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 37.1 m -134.73 108.14 7.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 73.4 110.447 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.575 ' HB2' ' CZ3' ' A' ' 4' ' ' TRP . 2.5 t80 -95.74 -62.39 1.3 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.56 1.162 . . . . 73.22 110.971 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -107.15 40.86 1.58 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.089 . . . . 63.34 109.287 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.411 ' C ' ' CG2' ' A' ' 9' ' ' ILE . . . 66.55 37.38 92.54 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.467 1.104 . . . . 61.15 111.002 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.531 HD11 ' CE1' ' A' ' 11' ' ' TYR . 0.9 OUTLIER -151.44 139.36 14.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.524 0.779 . . . . 74.4 109.296 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.653 HG23 ' HB3' ' A' ' 3' ' ' LYS . 0.8 OUTLIER -71.37 109.63 5.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.15 . . . . 71.24 110.388 -179.942 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.531 ' CE1' HD11 ' A' ' 9' ' ' ILE . 3.0 m-30 -80.6 152.41 28.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 71.11 111.019 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -97.57 111.57 23.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 54.04 110.306 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -61.34 132.39 47.99 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.487 1.117 . . . . 53.05 111.039 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -98.05 157.76 20.61 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.0 -0.84 . . . . 75.34 111.0 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 107.17 -62.22 0.3 Allowed Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.025 -0.83 . . . . 61.44 111.025 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 52.73 79.55 0.08 OUTLIER Glycine 0 CA--C 1.53 0.971 0 N-CA-C 111.012 -0.835 . . . . 54.11 111.012 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -174.07 119.24 0.26 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 0.741 . . . . 73.42 110.025 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -43.46 -57.3 3.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 61.14 109.325 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -42.75 -44.22 4.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.443 1.089 . . . . 64.44 109.291 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.49 53.75 1.61 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 74.24 110.272 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -133.27 -55.6 0.91 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 75.21 109.271 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.648 ' CD1' ' N ' ' A' ' 23' ' ' ALA . 0.6 OUTLIER -95.55 -39.67 9.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 71.13 111.014 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.648 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -54.44 -50.29 68.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 74.31 109.322 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -50.27 -31.85 15.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 74.23 109.26 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 13.7 mmm180 -83.76 -25.13 30.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 73.41 110.323 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.415 ' N ' ' O ' ' A' ' 23' ' ' ALA . 6.9 mm -64.09 -58.31 7.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 63.41 109.268 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -48.25 -49.83 31.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 55.53 109.305 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -48.19 -60.7 2.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 73.21 110.298 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -47.31 -60.04 2.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 72.11 109.304 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.406 ' O ' ' N ' ' A' ' 33' ' ' GLY . 8.6 mtt -39.24 -59.85 0.98 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 75.44 111.025 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -40.82 135.36 1.69 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 74.21 109.296 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.1 mmtm 65.98 24.99 11.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 74.4 109.274 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 30' ' ' MET . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.535 1.147 . . . . 42.4 110.994 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.311 -0.255 . . . . 74.23 110.311 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -61.02 -144.89 0.01 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.47 1.107 . . . . 61.12 110.994 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.66 ' HB2' HG23 ' A' ' 10' ' ' THR . 0.0 OUTLIER -55.17 147.6 16.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 0.772 . . . . 74.44 109.275 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.579 ' CZ3' ' HB2' ' A' ' 6' ' ' TYR . 1.7 p-90 -117.51 -174.62 2.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 71.22 107.979 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.4 p -134.95 108.45 7.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 74.0 110.399 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.579 ' HB2' ' CZ3' ' A' ' 4' ' ' TRP . 2.7 t80 -95.61 -62.8 1.23 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 74.2 111.0 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.405 ' ND2' ' CD2' ' A' ' 6' ' ' TYR . 6.1 m-80 -111.67 44.01 1.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 62.42 109.29 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 66.91 33.99 85.73 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.537 1.148 . . . . 63.21 111.02 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.549 HD11 ' CE1' ' A' ' 11' ' ' TYR . 0.7 OUTLIER -146.63 141.4 20.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.508 0.769 . . . . 65.55 109.25 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.66 HG23 ' HB2' ' A' ' 3' ' ' LYS . 0.8 OUTLIER -77.13 116.01 17.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 61.41 110.419 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.549 ' CE1' HD11 ' A' ' 9' ' ' ILE . 3.0 m-85 -85.48 157.43 20.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 65.21 111.009 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -95.74 -24.22 16.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 61.22 110.296 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 126.88 -66.45 0.56 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.53 1.144 . . . . 64.53 111.021 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 109.72 60.66 0.51 Allowed Glycine 0 CA--C 1.531 1.047 0 N-CA-C 110.996 -0.842 . . . . 60.31 110.996 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 70.87 -79.39 0.48 Allowed Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.004 -0.838 . . . . 63.31 111.004 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 164.8 -72.97 0.18 Allowed Glycine 0 CA--C 1.531 1.036 0 N-CA-C 111.022 -0.831 . . . . 45.3 111.022 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.19 127.62 32.55 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 0.777 . . . . 61.54 109.986 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -42.61 -47.47 5.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 74.12 109.325 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.08 -47.21 85.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.145 . . . . 70.51 109.283 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -90.13 44.6 1.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 74.41 110.334 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.91 -49.84 1.72 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 73.11 109.314 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.652 ' CD1' ' N ' ' A' ' 23' ' ' ALA . 0.6 OUTLIER -94.39 -39.86 10.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 71.05 111.003 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.652 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -54.4 -52.02 63.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.558 1.161 . . . . 73.34 109.291 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.0 ttmm -47.09 -34.86 6.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 73.32 109.301 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.4 mmm180 -80.36 -30.72 37.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 75.13 110.334 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.451 ' N ' ' O ' ' A' ' 23' ' ' ALA . 7.3 mm -58.26 -57.82 9.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 74.34 109.312 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -49.55 -52.32 30.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 63.11 109.306 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.434 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 4.0 mt-10 -48.74 -62.72 1.36 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 74.14 110.332 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -44.07 -62.43 1.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 62.0 109.292 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.2 mmt -41.47 -55.79 2.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 72.3 110.988 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.434 ' HB3' ' O ' ' A' ' 28' ' ' GLU . . . -41.13 138.26 1.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 71.51 109.32 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.7 ttpp -150.84 144.1 24.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 73.33 109.334 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.535 1.147 . . . . 54.32 110.981 -179.985 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.328 -0.249 . . . . 74.13 110.328 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 130.41 157.04 8.85 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.485 1.116 . . . . 71.24 110.966 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.402 ' HB2' ' O ' ' A' ' 11' ' ' TYR . 5.0 tppt? -102.34 -65.85 0.96 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 0.761 . . . . 72.23 109.289 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.835 ' CH2' ' CD1' ' A' ' 11' ' ' TYR . 7.6 p-90 -151.56 -174.99 5.01 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.016 -1.105 . . . . 74.21 108.016 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.419 ' HA ' ' O ' ' A' ' 9' ' ' ILE . 2.5 p -141.6 105.62 4.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 53.14 110.386 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.514 ' HB3' HD11 ' A' ' 9' ' ' ILE . 21.5 t80 -93.45 -62.29 1.39 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 73.11 110.98 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.434 ' H ' HD11 ' A' ' 9' ' ' ILE . 5.3 t-20 -123.98 64.81 1.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 44.22 109.291 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 54.73 36.75 60.01 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.485 1.116 . . . . 22.45 111.016 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.813 ' O ' HD12 ' A' ' 9' ' ' ILE . 1.1 pp -140.06 146.26 25.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.503 0.767 . . . . 74.24 109.288 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -110.51 124.25 51.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 72.35 110.422 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.835 ' CD1' ' CH2' ' A' ' 4' ' ' TRP . 10.8 m-85 -95.68 163.51 13.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 63.01 110.977 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -124.99 49.68 1.84 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 65.44 110.282 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 74.91 -64.28 2.32 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.462 1.101 . . . . 52.22 111.004 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -73.2 -74.47 0.8 Allowed Glycine 0 CA--C 1.529 0.946 0 N-CA-C 111.009 -0.836 . . . . 65.33 111.009 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 139.18 137.68 3.55 Favored Glycine 0 CA--C 1.531 1.038 0 N-CA-C 110.994 -0.842 . . . . 62.3 110.994 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 70.51 161.21 3.61 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 111.008 -0.837 . . . . 74.31 111.008 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 41.5 t -78.75 141.48 37.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 0.76 . . . . 63.43 110.004 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.82 -32.29 35.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 75.11 109.323 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.437 ' O ' ' CE2' ' A' ' 22' ' ' TYR . . . -64.03 -45.03 90.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 54.44 109.323 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -73.06 -30.34 63.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 73.23 110.322 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -51.64 -69.79 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 61.11 109.304 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.647 ' CD1' ' N ' ' A' ' 23' ' ' ALA . 0.4 OUTLIER -58.36 -41.56 84.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 72.31 110.963 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.647 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -46.7 -38.29 9.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 73.45 109.303 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.3 tttp -66.43 -48.95 68.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 74.31 109.278 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 45.5 mtp180 -58.6 -33.6 70.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 72.42 110.309 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.7 mm -54.06 -57.63 5.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 64.51 109.282 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -49.61 -47.02 49.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 62.54 109.298 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 29' ' ' ALA . 3.6 mt-10 -54.63 -59.44 4.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.1 . . . . 73.01 110.276 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 28' ' ' GLU . . . -40.21 -59.69 1.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 62.42 109.264 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -44.38 -59.65 2.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 75.14 110.975 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -45.54 -62.8 1.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 43.32 109.304 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.4 116.34 20.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.542 1.151 . . . . 72.14 109.28 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 O-C-N 124.493 1.121 . . . . 35.25 110.995 179.997 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 6.1 mmt180 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.264 -0.273 . . . . 72.54 110.264 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.537 ' HA3' ' HB2' ' A' ' 18' ' ' ALA . . . 46.13 41.41 11.19 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.438 1.086 . . . . 65.1 111.035 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.17 146.63 52.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 0.755 . . . . 74.4 109.317 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.584 ' CZ3' ' HB2' ' A' ' 6' ' ' TYR . 4.1 p-90 -111.78 -173.14 2.18 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.478 1.112 . . . . 74.32 108.033 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 24.2 m -141.25 110.44 6.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 64.32 110.408 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.584 ' HB2' ' CZ3' ' A' ' 4' ' ' TRP . 6.0 t80 -91.09 -62.75 1.38 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 73.11 111.028 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -127.08 52.13 1.82 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 63.43 109.29 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 67.39 27.51 73.54 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.514 1.134 . . . . 62.41 110.996 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.784 HD12 ' N ' ' A' ' 10' ' ' THR . 0.1 OUTLIER -129.62 122.67 55.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.517 0.775 . . . . 74.32 109.292 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.784 ' N ' HD12 ' A' ' 9' ' ' ILE . 0.9 OUTLIER -78.78 112.72 16.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 73.4 110.409 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.517 ' CE1' HG13 ' A' ' 9' ' ' ILE . 6.0 m-85 -88.02 155.45 19.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 74.02 111.0 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -115.32 -55.22 2.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 60.31 110.313 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 38.31 55.58 2.0 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.503 1.127 . . . . 54.52 111.001 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 37.32 61.94 0.96 Allowed Glycine 0 CA--C 1.531 1.046 0 N-CA-C 110.964 -0.854 . . . . 51.15 110.964 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 104.31 -119.64 6.35 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 111.002 -0.839 . . . . 73.03 111.002 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.444 ' C ' ' N ' ' A' ' 18' ' ' ALA . . . 147.17 -170.35 28.05 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.011 -0.836 . . . . 50.31 111.011 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 19' ' ' ALA . 0.0 OUTLIER -45.63 -21.68 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 0.765 . . . . 55.32 109.95 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.559 ' O ' ' HB3' ' A' ' 19' ' ' ALA . . . -54.37 90.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 45.12 109.286 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.559 ' HB3' ' O ' ' A' ' 18' ' ' ALA . . . 75.01 33.0 0.76 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 54.43 109.299 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.441 ' O ' ' HB3' ' A' ' 23' ' ' ALA . 5.7 mt-10 -134.34 -44.74 0.77 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 71.32 110.314 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -47.22 -66.77 0.35 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.143 . . . . 75.42 109.367 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.633 ' CD1' ' N ' ' A' ' 23' ' ' ALA . 0.4 OUTLIER -51.17 -42.85 61.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 65.5 110.944 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.633 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -50.79 -50.98 54.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 63.33 109.312 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -49.81 -39.8 39.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 72.3 109.305 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.2 mmm180 -71.84 -36.83 70.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 71.13 110.312 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.3 mm -53.45 -60.68 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 71.21 109.298 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -46.02 -52.93 10.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 72.32 109.293 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.449 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 2.8 mt-10 -50.1 -62.57 1.5 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 52.24 110.346 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -44.33 -60.01 2.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 51.12 109.319 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.401 ' O ' ' C ' ' A' ' 31' ' ' ALA . 1.2 mtm -42.54 -54.52 3.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 64.32 111.028 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.449 ' HB3' ' O ' ' A' ' 28' ' ' GLU . . . -40.43 117.16 0.77 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 63.04 109.275 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -94.01 -62.8 1.28 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.148 . . . . 74.53 109.294 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.528 1.142 . . . . 75.45 110.952 179.995 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 5.9 mtt-85 . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 110.325 -0.25 . . . . 65.34 110.325 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 151.18 106.93 0.35 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.468 1.105 . . . . 73.45 111.01 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.509 ' HB2' HG23 ' A' ' 10' ' ' THR . 0.0 OUTLIER -59.74 160.89 6.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 0.773 . . . . 73.02 109.312 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.541 ' CE3' ' HB2' ' A' ' 6' ' ' TYR . 3.3 p-90 -136.01 150.2 49.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 73.31 108.036 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.9 m -111.62 98.01 7.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 62.01 110.402 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.541 ' HB2' ' CE3' ' A' ' 4' ' ' TRP . 0.6 OUTLIER -107.45 96.95 6.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 74.5 110.984 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.438 ' C ' ' O ' ' A' ' 6' ' ' TYR . 7.6 t-20 36.94 54.98 1.21 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 45.53 109.308 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -176.13 -121.35 0.66 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.482 1.114 . . . . 74.52 110.987 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.717 HD12 ' HE1' ' A' ' 11' ' ' TYR . 0.4 OUTLIER -126.89 -171.82 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 0.761 . . . . 74.31 109.284 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.509 HG23 ' HB2' ' A' ' 3' ' ' LYS . 0.7 OUTLIER -65.97 116.94 7.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 74.42 110.397 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.717 ' HE1' HD12 ' A' ' 9' ' ' ILE . 4.2 m-30 -98.14 159.99 14.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 74.21 110.992 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 -105.24 161.75 14.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 73.25 110.286 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -98.96 -54.55 1.11 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.509 1.13 . . . . 51.13 110.979 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 107.95 74.06 0.84 Allowed Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.983 -0.847 . . . . 72.22 110.983 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.88 63.91 4.83 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.992 -0.843 . . . . 50.31 110.992 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 70.41 -114.11 5.25 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 110.978 -0.849 . . . . 72.13 110.978 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -120.87 150.73 40.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 0.747 . . . . 71.14 110.049 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.04 -23.3 61.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 65.35 109.307 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -82.82 -47.92 11.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 52.0 109.326 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.548 ' HA ' ' HB3' ' A' ' 23' ' ' ALA . 3.7 mm-40 -44.27 -27.16 0.39 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 74.13 110.294 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -49.13 -70.15 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 72.45 109.294 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.653 ' CD1' ' N ' ' A' ' 23' ' ' ALA . 0.6 OUTLIER -75.8 -43.33 46.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 62.41 110.996 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.653 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -40.06 -29.47 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 65.11 109.332 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.45 ' N ' ' C ' ' A' ' 22' ' ' TYR . 6.4 tptm -69.51 -59.29 3.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 73.53 109.305 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.493 ' HG3' ' N ' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -49.85 -28.01 5.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 64.34 110.274 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.493 ' N ' ' HG3' ' A' ' 25' ' ' ARG . 7.3 mm -62.7 -60.18 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 73.01 109.309 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -45.05 -49.17 11.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.464 1.103 . . . . 72.35 109.314 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -49.34 -60.94 2.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 73.23 110.301 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -48.83 -58.99 3.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 65.54 109.282 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 4.5 mtm -39.45 -57.72 1.38 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 54.42 111.041 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -43.76 -60.12 1.94 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 64.4 109.301 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 48.4 pttt -122.16 107.72 12.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 74.34 109.323 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.516 1.135 . . . . 53.05 110.966 179.979 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 5.6 ttm105 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.34 -0.245 . . . . 74.1 110.34 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 158.65 105.06 0.21 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.51 1.131 . . . . 51.21 110.989 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.405 ' CG ' HG23 ' A' ' 10' ' ' THR . 0.1 OUTLIER -56.71 160.5 3.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 0.747 . . . . 64.42 109.339 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.1 p-90 -137.89 171.74 13.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 74.54 107.986 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 13.9 m -134.95 97.59 3.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.563 1.164 . . . . 70.45 110.403 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.419 ' O ' ' C ' ' A' ' 7' ' ' ASN . 3.4 t80 -107.14 90.59 3.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.147 . . . . 74.14 111.002 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.419 ' C ' ' O ' ' A' ' 6' ' ' TYR . 12.0 m-20 38.18 53.41 1.68 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 71.33 109.267 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -163.62 -110.0 0.24 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.432 1.082 . . . . 75.15 111.014 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.622 ' O ' ' CD1' ' A' ' 11' ' ' TYR . 1.8 pp -146.97 170.4 4.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.46 0.741 . . . . 73.21 109.291 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.405 HG23 ' CG ' ' A' ' 3' ' ' LYS . 1.4 m -48.62 93.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 74.33 110.408 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.622 ' CD1' ' O ' ' A' ' 9' ' ' ILE . 10.0 m-30 -82.86 142.22 31.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 75.32 111.036 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -95.43 147.24 23.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 63.13 110.289 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -90.66 -92.33 1.28 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.532 1.145 . . . . 72.32 110.963 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 159.17 174.6 29.11 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 110.983 -0.847 . . . . 71.54 110.983 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 39.87 67.06 0.69 Allowed Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.0 -0.84 . . . . 75.2 111.0 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 170.36 83.6 0.05 OUTLIER Glycine 0 CA--C 1.531 1.05 0 N-CA-C 111.018 -0.833 . . . . 63.41 111.018 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.72 132.31 34.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 0.785 . . . . 73.22 109.977 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.403 ' O ' ' HB3' ' A' ' 21' ' ' ALA . . . -42.19 -53.87 3.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 43.23 109.262 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -49.87 -56.4 10.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 52.13 109.307 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -82.94 56.86 3.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 73.03 110.306 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.403 ' HB3' ' O ' ' A' ' 18' ' ' ALA . . . -123.78 -59.95 1.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 73.22 109.296 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.63 ' CD1' ' N ' ' A' ' 23' ' ' ALA . 0.5 OUTLIER -70.2 -42.77 71.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 64.12 110.996 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.63 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -42.06 -52.56 4.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 62.42 109.312 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.6 mmtt -46.46 -56.47 5.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 62.23 109.252 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.3 mmm180 -49.76 -42.8 47.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 71.45 110.326 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.463 ' N ' HD13 ' A' ' 26' ' ' ILE . 5.4 mm -54.41 -65.54 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 73.33 109.285 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -44.19 -48.96 9.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 54.33 109.29 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -51.29 -62.72 1.45 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 74.02 110.262 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -47.18 -60.37 2.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.095 . . . . 71.33 109.284 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 13.2 mtm -37.88 -58.0 0.96 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 64.33 111.025 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -43.38 -62.45 1.06 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.537 1.148 . . . . 62.24 109.3 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.0 pttp -66.97 142.95 57.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 71.24 109.304 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.563 1.164 . . . . 74.35 111.007 179.962 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 13.4 mmt-85 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.269 -0.271 . . . . 74.12 110.269 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -62.74 96.54 0.16 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.472 1.107 . . . . 61.44 110.996 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.695 ' HG3' HG23 ' A' ' 10' ' ' THR . 0.0 OUTLIER -55.4 142.96 30.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 0.747 . . . . 75.41 109.271 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.566 ' CZ3' ' HB2' ' A' ' 6' ' ' TYR . 1.3 p-90 -119.13 -174.25 2.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 62.14 108.038 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.677 HG23 ' H ' ' A' ' 9' ' ' ILE . 53.7 m -139.6 107.24 5.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 75.1 110.379 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.566 ' HB2' ' CZ3' ' A' ' 4' ' ' TRP . 10.0 t80 -93.54 -46.32 7.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 74.42 110.987 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -128.59 67.47 1.39 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 62.13 109.281 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 46.45 45.89 16.93 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.513 1.133 . . . . 75.22 110.985 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 1.009 HD13 ' CD1' ' A' ' 11' ' ' TYR . 1.2 pp -139.71 166.59 20.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.492 0.76 . . . . 72.45 109.28 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.695 HG23 ' HG3' ' A' ' 3' ' ' LYS . 1.3 m -101.04 70.85 1.37 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 75.34 110.366 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 1.009 ' CD1' HD13 ' A' ' 9' ' ' ILE . 4.2 m-30 -63.98 132.62 51.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 74.23 110.971 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -111.19 -29.61 7.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 64.4 110.311 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -55.05 -171.78 0.08 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.552 1.158 . . . . 72.45 111.042 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -116.48 -158.01 11.21 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.013 -0.835 . . . . 55.13 111.013 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -110.05 110.95 2.99 Favored Glycine 0 CA--C 1.531 1.048 0 N-CA-C 110.996 -0.842 . . . . 63.33 110.996 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -125.12 168.8 17.13 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 111.002 -0.839 . . . . 74.21 111.002 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.419 ' O ' ' N ' ' A' ' 20' ' ' GLU . 3.4 m -118.79 135.67 54.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 0.754 . . . . 52.15 109.968 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.812 ' HB3' ' CE1' ' A' ' 22' ' ' TYR . . . 47.39 54.99 8.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 53.12 109.31 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.46 ' O ' ' N ' ' A' ' 21' ' ' ALA . . . 52.9 27.25 5.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 73.31 109.314 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' ' 19' ' ' ALA . 4.1 pt-20 33.78 36.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 75.11 110.343 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.46 ' N ' ' O ' ' A' ' 19' ' ' ALA . . . -86.43 -75.47 0.38 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 63.33 109.319 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.812 ' CE1' ' HB3' ' A' ' 18' ' ' ALA . 17.6 p90 -45.46 -40.78 8.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 61.42 111.006 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.531 ' N ' ' CG ' ' A' ' 22' ' ' TYR . . . -41.13 -52.07 3.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.581 1.175 . . . . 74.33 109.284 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.38 -44.44 11.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 72.51 109.304 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.454 ' N ' ' O ' ' A' ' 22' ' ' TYR . 3.2 mmp_? -72.12 -38.33 69.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 74.44 110.257 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 47.1 mm -50.24 -52.12 15.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 71.45 109.27 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -49.76 -52.2 33.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 74.42 109.313 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.439 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 3.3 mt-10 -51.85 -61.45 2.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 75.32 110.323 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -44.44 -60.24 2.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 54.43 109.297 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.6 mtm -39.73 -55.35 1.93 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.585 1.178 . . . . 74.45 111.015 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.439 ' HB3' ' O ' ' A' ' 28' ' ' GLU . . . -40.87 141.97 0.53 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 65.33 109.312 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -73.19 101.97 3.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 62.1 109.258 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.484 1.115 . . . . 72.11 111.025 179.986 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.7 mtt-85 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.32 -0.252 . . . . 74.41 110.32 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 89.36 -129.88 9.9 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.5 1.125 . . . . 31.23 110.999 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.14 154.26 41.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 0.772 . . . . 74.12 109.296 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.557 ' CZ3' ' HB2' ' A' ' 6' ' ' TYR . 2.7 p-90 -130.53 -173.17 2.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 72.13 108.021 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 56.5 m -138.45 104.98 5.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 63.35 110.439 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.557 ' HB2' ' CZ3' ' A' ' 4' ' ' TRP . 2.4 t80 -83.56 -62.04 1.68 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 71.3 110.994 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -102.51 -71.23 0.73 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 72.53 109.332 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -167.53 30.67 0.18 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.44 1.088 . . . . 65.25 110.998 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.539 HD11 ' CE1' ' A' ' 11' ' ' TYR . 0.8 OUTLIER -135.87 138.72 47.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.491 0.759 . . . . 72.02 109.289 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.5 m -70.84 108.16 4.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.163 . . . . 74.44 110.383 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.539 ' CE1' HD11 ' A' ' 9' ' ' ILE . 2.8 m-85 -80.92 148.6 29.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 65.25 111.047 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -95.09 -60.14 1.75 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 75.25 110.294 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 158.14 -134.61 3.94 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.5 1.125 . . . . 73.34 111.012 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 64.41 154.86 0.13 Allowed Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.016 -0.834 . . . . 54.2 111.016 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -165.69 -59.01 0.03 OUTLIER Glycine 0 CA--C 1.53 1.017 0 N-CA-C 111.004 -0.839 . . . . 72.31 111.004 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 120.91 -27.55 6.43 Favored Glycine 0 CA--C 1.529 0.962 0 N-CA-C 111.032 -0.827 . . . . 74.24 111.032 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.777 ' OG ' ' HB2' ' A' ' 21' ' ' ALA . 3.1 t 59.85 32.42 21.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.421 0.718 . . . . 74.45 110.0 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.534 ' O ' ' HB3' ' A' ' 19' ' ' ALA . . . -58.63 85.82 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.12 . . . . 43.21 109.296 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.534 ' HB3' ' O ' ' A' ' 18' ' ' ALA . . . 73.46 24.93 2.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 73.43 109.299 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -120.08 -17.24 8.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 74.24 110.293 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.777 ' HB2' ' OG ' ' A' ' 17' ' ' SER . . . -42.09 -31.93 0.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 52.22 109.309 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.65 ' CD1' ' N ' ' A' ' 23' ' ' ALA . 1.0 OUTLIER -97.32 -38.65 9.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 71.25 110.986 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.65 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -50.58 -48.88 57.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 73.2 109.32 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.83 -48.72 4.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 65.22 109.289 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.3 mtp180 -66.86 -40.17 87.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 71.41 110.27 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 16.1 mm -52.01 -51.22 31.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 64.02 109.282 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -46.55 -53.23 11.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 71.42 109.271 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -48.36 -59.54 3.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.557 1.161 . . . . 72.21 110.35 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -44.68 -55.17 5.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 73.14 109.292 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 28.6 mtp -48.5 -57.57 5.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 71.33 110.999 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 58.98 52.79 6.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 75.11 109.324 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.81 137.94 51.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 75.15 109.278 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.501 1.126 . . . . 72.11 111.026 179.966 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.7 mtt180 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.32 -0.252 . . . . 63.35 110.32 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 179.99 -91.01 0.08 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.477 1.111 . . . . 64.54 111.017 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.12 179.26 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 0.775 . . . . 64.01 109.307 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.801 ' CZ2' ' CD2' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -149.53 -175.02 4.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 72.53 108.014 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.457 ' HA ' ' O ' ' A' ' 9' ' ' ILE . 2.5 m -134.91 101.3 4.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 73.34 110.431 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -115.53 98.44 6.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 74.42 111.014 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.2 t30 65.87 54.39 1.04 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 73.53 109.263 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 54.48 57.15 18.54 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.549 1.155 . . . . 62.42 111.036 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.463 HG21 ' CE1' ' A' ' 11' ' ' TYR . 0.9 OUTLIER -137.98 148.88 24.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.507 0.769 . . . . 65.32 109.281 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.3 m -121.2 110.55 16.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 72.11 110.386 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.801 ' CD2' ' CZ2' ' A' ' 4' ' ' TRP . 9.6 m-85 -88.09 151.84 22.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.1 . . . . 75.0 110.987 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -108.74 -179.44 3.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.113 . . . . 74.41 110.313 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -146.98 72.93 0.31 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.468 1.105 . . . . 51.42 110.992 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -151.27 88.98 0.13 Allowed Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.013 -0.835 . . . . 72.25 111.013 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 173.73 -62.36 0.13 Allowed Glycine 0 CA--C 1.53 1.004 0 N-CA-C 110.981 -0.847 . . . . 73.22 110.981 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 151.06 -142.87 9.92 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 110.996 -0.842 . . . . 73.34 110.996 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.4 m -78.06 152.22 33.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 0.754 . . . . 71.43 109.97 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.23 -45.44 63.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 74.21 109.323 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.79 -39.67 74.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 52.14 109.293 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -95.78 57.34 1.84 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 71.45 110.31 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.06 -50.93 0.83 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 54.23 109.288 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.656 ' CD1' ' N ' ' A' ' 23' ' ' ALA . 0.4 OUTLIER -87.66 -41.65 13.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 72.43 111.024 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.656 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -44.44 -26.54 0.36 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 71.45 109.299 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.417 ' N ' ' C ' ' A' ' 22' ' ' TYR . 9.2 tppt? -74.54 -63.24 1.28 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 74.45 109.304 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.484 ' HG3' ' N ' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -47.32 -27.7 1.7 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 75.12 110.301 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.484 ' N ' ' HG3' ' A' ' 25' ' ' ARG . 6.2 mm -57.0 -57.75 8.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 62.11 109.32 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -49.35 -50.86 38.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 42.14 109.292 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -50.01 -59.87 3.47 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.527 1.142 . . . . 75.41 110.327 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -49.02 -59.68 3.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 73.54 109.26 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 2.0 mtt -39.74 -52.32 2.3 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.504 1.127 . . . . 74.41 110.993 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.99 74.44 3.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.092 . . . . 64.12 109.358 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.1 93.29 5.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 63.22 109.326 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.486 1.116 . . . . 61.21 110.975 179.994 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 13.0 ptp180 . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 110.283 -0.266 . . . . 74.25 110.283 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -82.65 -108.71 0.46 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.467 1.105 . . . . 71.11 111.022 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.534 ' HA ' HG23 ' A' ' 10' ' ' THR . 32.6 ttmt 72.92 24.89 2.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 0.767 . . . . 73.31 109.321 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.543 ' CZ3' ' HB2' ' A' ' 6' ' ' TYR . 2.6 p-90 -90.43 175.12 7.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 74.21 108.025 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.4 p -125.02 112.5 16.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 64.05 110.406 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.543 ' HB2' ' CZ3' ' A' ' 4' ' ' TRP . 3.8 t80 -103.6 -55.07 2.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 65.3 110.995 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -115.96 43.38 2.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 52.53 109.264 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 67.27 31.25 76.77 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.497 1.123 . . . . 72.13 111.008 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.544 HD11 ' CE1' ' A' ' 11' ' ' TYR . 0.7 OUTLIER -143.39 140.48 26.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.514 0.773 . . . . 73.54 109.271 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.534 HG23 ' HA ' ' A' ' 3' ' ' LYS . 1.2 m -73.54 109.03 6.74 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.116 . . . . 74.34 110.364 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.544 ' CE1' HD11 ' A' ' 9' ' ' ILE . 2.8 m-85 -81.06 151.65 28.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 73.12 110.958 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -111.37 159.93 17.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 74.33 110.356 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -136.43 143.03 14.31 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.523 1.139 . . . . 60.22 111.018 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 108.47 159.82 19.92 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 110.987 -0.845 . . . . 64.2 110.987 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -164.99 96.74 0.13 Allowed Glycine 0 CA--C 1.53 0.975 0 N-CA-C 111.001 -0.839 . . . . 42.1 111.001 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -150.05 -151.89 5.64 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.008 -0.837 . . . . 51.25 111.008 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.442 ' CB ' ' HB3' ' A' ' 20' ' ' GLU . 6.2 m -100.59 118.9 37.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 0.768 . . . . 74.31 110.005 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -83.99 -29.15 27.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 52.3 109.307 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.543 ' O ' ' CD2' ' A' ' 22' ' ' TYR . . . -94.45 23.53 5.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 74.41 109.326 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.442 ' HB3' ' CB ' ' A' ' 17' ' ' SER . 14.5 pt-20 -75.98 -22.2 56.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 72.05 110.314 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -42.1 -60.9 1.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 72.23 109.278 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.598 ' CG ' ' N ' ' A' ' 23' ' ' ALA . 0.6 OUTLIER -67.85 -43.36 79.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 75.31 111.027 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.598 ' N ' ' CG ' ' A' ' 22' ' ' TYR . . . -41.59 -53.32 3.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 70.41 109.315 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -49.39 -52.89 25.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 74.4 109.321 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.8 mmm180 -51.94 -43.62 63.56 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.47 1.106 . . . . 71.12 110.286 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.443 ' N ' HD13 ' A' ' 26' ' ' ILE . 5.7 mm -51.28 -63.55 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 71.15 109.315 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -45.31 -50.67 11.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 61.1 109.281 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -50.09 -62.83 1.35 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 74.13 110.328 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -41.88 -61.42 1.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.56 1.162 . . . . 74.01 109.329 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 37.8 mtt -38.3 -56.0 1.28 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 74.52 111.003 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 44.74 51.43 8.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 65.14 109.25 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.4 pttm -130.67 157.75 41.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 64.13 109.275 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.478 1.111 . . . . 32.23 110.984 179.974 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 13.2 mmt180 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.276 -0.268 . . . . 54.12 110.276 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -164.59 -122.89 0.62 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.449 1.093 . . . . 42.51 111.039 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.856 ' CB ' HG23 ' A' ' 10' ' ' THR . 0.0 OUTLIER -65.15 166.87 8.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 0.751 . . . . 75.55 109.292 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.799 ' CZ2' ' CD2' ' A' ' 11' ' ' TYR . 43.7 p-90 -127.22 106.16 9.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 71.11 107.986 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.2 p -78.43 99.36 6.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.095 . . . . 62.4 110.395 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.496 ' HB2' ' CZ3' ' A' ' 4' ' ' TRP . 0.8 OUTLIER -96.21 -62.26 1.31 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 64.55 111.01 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.559 ' O ' HG22 ' A' ' 9' ' ' ILE . 7.5 t30 -114.46 46.49 1.37 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 54.2 109.281 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 62.39 33.08 85.15 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.499 1.124 . . . . 55.45 110.985 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.951 HD12 ' N ' ' A' ' 10' ' ' THR . 0.1 OUTLIER -136.27 132.74 49.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.495 0.762 . . . . 65.53 109.317 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.951 ' N ' HD12 ' A' ' 9' ' ' ILE . 8.6 m -89.39 107.39 19.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.434 1.084 . . . . 74.35 110.379 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.799 ' CD2' ' CZ2' ' A' ' 4' ' ' TRP . 6.6 m-85 -81.87 -81.32 0.14 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.417 1.073 . . . . 74.42 111.007 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.47 ' HB2' ' CG ' ' A' ' 3' ' ' LYS . 1.1 tm-20 34.11 38.52 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 75.11 110.327 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . 79.04 114.8 0.22 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.504 1.127 . . . . 61.43 111.026 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -128.64 94.75 0.37 Allowed Glycine 0 CA--C 1.53 0.973 0 N-CA-C 111.061 -0.816 . . . . 63.31 111.061 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 139.23 -59.32 0.59 Allowed Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.973 -0.851 . . . . 53.12 110.973 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -38.46 155.87 0.02 OUTLIER Glycine 0 CA--C 1.53 0.974 0 N-CA-C 110.99 -0.844 . . . . 51.23 110.99 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 25.2 m -119.3 116.29 25.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 0.752 . . . . 42.23 109.997 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -44.55 -56.12 4.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 74.23 109.273 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -41.16 -52.62 3.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.561 1.163 . . . . 71.43 109.317 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -88.42 58.86 4.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 73.31 110.262 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.25 -58.28 1.54 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 51.23 109.266 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.647 ' CD1' ' N ' ' A' ' 23' ' ' ALA . 0.5 OUTLIER -58.53 -39.53 80.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 72.11 111.005 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.647 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -40.32 -51.45 2.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 74.23 109.33 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.54 -59.2 4.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 72.34 109.304 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 24.0 mtp180 -43.83 -42.09 5.44 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 73.32 110.285 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.59 ' N ' HD13 ' A' ' 26' ' ' ILE . 3.3 mm -55.43 -61.37 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 72.25 109.308 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -44.82 -46.78 10.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 73.15 109.262 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -56.19 -63.06 1.31 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 73.21 110.296 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -44.23 -56.93 3.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 74.02 109.311 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 2.0 mtm -41.51 -57.05 2.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 75.42 110.996 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 49.04 40.03 16.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 54.22 109.318 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.7 pttt -141.62 142.56 33.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 72.1 109.291 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.059 0 O-C-N 124.563 1.164 . . . . 74.03 110.989 179.955 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.0 ptt180 . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 110.343 -0.243 . . . . 65.43 110.343 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -115.96 -77.48 0.68 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.46 1.1 . . . . 74.24 111.033 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.82 155.01 40.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 0.749 . . . . 74.1 109.315 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.526 ' CZ3' ' HB2' ' A' ' 6' ' ' TYR . 9.3 p-90 -120.85 -172.91 2.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 72.2 107.978 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.462 ' CG2' ' HA2' ' A' ' 8' ' ' GLY . 89.6 m -148.58 112.64 5.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 61.03 110.382 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.526 ' HB2' ' CZ3' ' A' ' 4' ' ' TRP . 7.2 t80 -84.66 -56.61 3.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 75.11 110.967 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.612 ' H ' HD12 ' A' ' 9' ' ' ILE . 3.6 t-20 -133.62 13.96 4.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.561 1.163 . . . . 73.14 109.328 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.462 ' HA2' ' CG2' ' A' ' 5' ' ' THR . . . 99.67 46.61 1.92 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.518 1.136 . . . . 62.43 110.998 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.612 HD12 ' H ' ' A' ' 7' ' ' ASN . 2.7 mp -112.99 -19.62 6.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.474 0.749 . . . . 70.53 109.268 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.764 ' O ' HG22 ' A' ' 10' ' ' THR . 1.5 m 65.15 54.97 1.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 61.24 110.416 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.555 ' HE1' HD13 ' A' ' 9' ' ' ILE . 8.3 m-85 -57.85 135.85 56.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 74.43 110.989 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 19.6 pt-20 -111.35 55.75 0.65 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 71.31 110.312 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 71.71 -132.4 19.96 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.548 1.155 . . . . 53.34 111.027 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 106.9 123.44 5.08 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 110.942 -0.863 . . . . 74.4 110.942 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -149.78 66.87 0.37 Allowed Glycine 0 CA--C 1.531 1.042 0 N-CA-C 110.995 -0.842 . . . . 53.22 110.995 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 78.68 121.05 0.27 Allowed Glycine 0 CA--C 1.53 1.001 0 N-CA-C 110.979 -0.848 . . . . 62.23 110.979 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -174.93 151.33 1.34 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 0.75 . . . . 54.11 109.995 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.521 ' O ' ' HB2' ' A' ' 21' ' ' ALA . . . -40.72 -59.43 1.39 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 61.54 109.302 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -40.92 -51.98 3.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 72.31 109.307 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -76.86 56.12 1.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 75.02 110.287 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.521 ' HB2' ' O ' ' A' ' 18' ' ' ALA . . . -98.74 -57.7 2.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 65.33 109.28 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.552 ' CE2' HG13 ' A' ' 26' ' ' ILE . 14.4 p90 -36.22 -32.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 73.1 110.945 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . -40.59 -51.57 2.95 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.48 1.112 . . . . 44.44 109.274 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.8 ptmt -47.62 -44.4 26.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.459 1.099 . . . . 74.04 109.306 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.479 ' N ' ' O ' ' A' ' 22' ' ' TYR . 1.9 mmp_? -67.49 -39.59 85.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 63.13 110.331 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.552 HG13 ' CE2' ' A' ' 22' ' ' TYR . 18.8 mm -51.13 -61.0 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.537 1.148 . . . . 73.22 109.315 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -48.09 -53.88 15.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 62.31 109.288 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -45.65 -61.22 1.8 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.103 . . . . 73.04 110.288 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -50.13 -61.56 2.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 71.55 109.326 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.1 mtt -37.77 -55.4 1.17 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 72.33 110.961 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -73.9 75.94 1.65 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 62.33 109.283 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.2 tttp -104.52 -63.84 1.17 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.547 1.154 . . . . 73.42 109.322 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.476 1.11 . . . . 74.34 110.958 179.966 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.5 ptm180 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.324 -0.25 . . . . 74.15 110.324 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -129.79 -127.64 2.95 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.488 1.117 . . . . 62.32 111.014 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.06 -173.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 0.766 . . . . 71.5 109.318 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.767 ' CH2' ' CG ' ' A' ' 11' ' ' TYR . 11.0 p-90 -154.39 -175.04 5.21 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.017 -1.105 . . . . 74.25 108.017 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.2 m -151.13 105.05 3.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 62.22 110.356 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 39.8 t80 -98.43 -63.17 1.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 72.11 110.965 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.432 ' O ' HG22 ' A' ' 9' ' ' ILE . 8.2 m-20 -112.09 47.89 1.02 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.5 1.125 . . . . 75.11 109.292 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 61.58 32.84 82.81 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.481 1.113 . . . . 54.11 110.956 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.777 HD12 ' N ' ' A' ' 10' ' ' THR . 0.1 OUTLIER -129.33 126.05 63.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.468 0.746 . . . . 75.35 109.313 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.777 ' N ' HD12 ' A' ' 9' ' ' ILE . 1.1 m -82.9 117.46 22.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 71.23 110.392 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.767 ' CG ' ' CH2' ' A' ' 4' ' ' TRP . 24.2 m-85 -97.12 156.11 16.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 74.22 111.025 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.56 -59.49 2.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 75.54 110.318 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 146.38 147.18 4.52 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.543 1.152 . . . . 43.32 110.986 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -84.51 77.24 2.13 Favored Glycine 0 CA--C 1.53 1.028 0 N-CA-C 110.987 -0.845 . . . . 75.21 110.987 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 104.93 -126.91 8.86 Favored Glycine 0 CA--C 1.531 1.043 0 N-CA-C 111.002 -0.839 . . . . 62.3 111.002 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.462 ' O ' ' N ' ' A' ' 18' ' ' ALA . . . -123.43 -127.38 3.23 Favored Glycine 0 CA--C 1.529 0.965 0 N-CA-C 111.011 -0.836 . . . . 73.11 111.011 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.535 ' CB ' ' HB2' ' A' ' 20' ' ' GLU . 3.0 p -64.49 74.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 0.735 . . . . 72.1 109.99 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 16' ' ' GLY . . . -55.12 -47.48 74.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 64.33 109.274 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.578 ' O ' ' CD2' ' A' ' 22' ' ' TYR . . . -119.95 -3.45 10.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 54.54 109.315 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.535 ' HB2' ' CB ' ' A' ' 17' ' ' SER . 0.0 OUTLIER -73.26 -24.85 60.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 75.14 110.298 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -50.71 -73.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 60.14 109.285 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.61 ' CG ' ' N ' ' A' ' 23' ' ' ALA . 1.2 p90 -56.41 -43.67 79.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 64.34 110.979 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.61 ' N ' ' CG ' ' A' ' 22' ' ' TYR . . . -39.47 -29.47 0.05 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 64.32 109.279 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.461 ' N ' ' C ' ' A' ' 22' ' ' TYR . 3.2 ttmt -75.17 -53.93 7.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 75.52 109.29 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.533 ' HG3' ' N ' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -58.08 -23.47 54.78 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 73.04 110.307 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.568 HG13 ' CE1' ' A' ' 22' ' ' TYR . 27.8 mm -58.3 -57.4 10.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.556 1.16 . . . . 72.15 109.285 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.03 -53.64 53.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.163 . . . . 61.23 109.323 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -45.95 -60.24 2.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.153 . . . . 64.22 110.295 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.513 ' CB ' ' NH2' ' A' ' 25' ' ' ARG . . . -41.04 -63.52 0.66 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 55.14 109.309 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -44.58 -48.93 10.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 74.3 111.064 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -101.22 82.06 2.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 72.24 109.342 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.0 mmtm -122.6 165.77 15.92 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 72.35 109.311 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 O-C-N 124.506 1.129 . . . . 71.32 111.0 -179.964 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.321 -0.252 . . . . 74.35 110.321 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -156.96 157.59 28.14 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.52 1.137 . . . . 65.1 111.005 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.706 ' CB ' HG23 ' A' ' 10' ' ' THR . 0.0 OUTLIER -54.15 153.19 5.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 0.777 . . . . 73.55 109.309 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.666 ' CZ2' ' CD2' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -111.78 -10.84 14.01 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.558 1.161 . . . . 62.12 107.995 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.447 HG22 ' O ' ' A' ' 5' ' ' THR . 50.7 m 60.69 54.98 3.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 74.51 110.398 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.598 ' HB2' ' CE3' ' A' ' 4' ' ' TRP . 1.0 OUTLIER -82.83 151.46 26.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 71.11 111.008 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 49.46 25.6 1.4 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 75.13 109.265 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 68.51 37.46 85.41 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.485 1.116 . . . . 63.11 110.993 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.544 HD11 ' CE1' ' A' ' 11' ' ' TYR . 0.7 OUTLIER -148.3 141.15 18.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.505 0.768 . . . . 63.0 109.265 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.706 HG23 ' CB ' ' A' ' 3' ' ' LYS . 1.0 OUTLIER -81.2 119.81 24.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 53.33 110.359 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.666 ' CD2' ' CZ2' ' A' ' 4' ' ' TRP . 3.6 m-85 -87.65 160.63 18.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 71.54 110.972 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.42 ' HG3' ' N ' ' A' ' 13' ' ' GLY . 0.6 OUTLIER -98.03 -49.84 4.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 75.55 110.292 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.42 ' N ' ' HG3' ' A' ' 12' ' ' GLU . . . -162.49 -73.56 0.02 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.467 1.104 . . . . 52.34 111.018 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 151.96 179.66 27.78 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 111.007 -0.837 . . . . 40.43 111.007 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -150.5 -75.86 0.02 OUTLIER Glycine 0 CA--C 1.53 0.981 0 N-CA-C 111.011 -0.836 . . . . 72.12 111.011 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -91.14 165.45 30.33 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 110.989 -0.844 . . . . 51.12 110.989 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.538 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 0.2 OUTLIER -166.06 166.64 17.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 0.763 . . . . 63.04 109.962 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -41.75 -54.56 3.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 63.11 109.254 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.19 -55.19 26.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 51.31 109.307 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -94.7 45.06 1.11 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 54.12 110.283 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.538 ' HB2' ' O ' ' A' ' 17' ' ' SER . . . -127.33 -52.5 1.39 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 71.1 109.27 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.568 ' CD1' ' N ' ' A' ' 23' ' ' ALA . 0.9 OUTLIER -93.7 -41.01 9.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 74.32 111.012 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.568 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -52.35 -50.13 62.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 65.21 109.301 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.718 ' HG2' HH21 ' A' ' 25' ' ' ARG . 1.7 tttt -41.48 -48.22 3.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 75.43 109.253 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.718 HH21 ' HG2' ' A' ' 24' ' ' LYS . 5.4 mmp_? -67.86 -43.38 79.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 75.52 110.244 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 10.4 mm -46.61 -58.51 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 62.42 109.3 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -47.47 -54.29 11.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.46 1.1 . . . . 75.15 109.271 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -48.16 -61.41 2.0 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 75.35 110.274 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -45.38 -63.97 0.83 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.095 . . . . 51.12 109.318 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -39.77 -56.23 1.78 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 44.42 110.948 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -74.66 108.01 7.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 52.23 109.317 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.48 127.52 55.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.135 . . . . 64.41 109.295 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.047 0 O-C-N 124.503 1.127 . . . . 72.43 110.969 179.955 . . . . . . . . 0 0 . 1 stop_ save_