data_1ohm_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 1ohm _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 69.3 p-90 . . . . . 0 CA--C 1.549 0.929 0 N-CA-C 115.428 1.64 . . . . 0.0 115.428 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -73.99 -22.12 78.34 Favored Glycine 0 N--CA 1.474 1.217 0 CA-C-N 119.889 1.222 . . . . 0.0 114.443 -172.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 10.4 p -65.1 -53.66 42.05 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 124.666 1.187 . . . . 0.0 110.57 164.368 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.08 -54.43 39.46 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.762 1.225 . . . . 0.0 111.957 177.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 6.3 pt -63.88 -26.34 40.35 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 N-CA-C 113.561 0.949 . . . . 0.0 113.561 175.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.71 -48.97 58.59 Favored Glycine 0 CA--C 1.524 0.639 0 C-N-CA 124.559 1.076 . . . . 0.0 112.431 171.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 35.2 m -51.51 -58.13 7.14 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.934 1.294 . . . . 0.0 112.149 171.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 28.1 mt -49.47 -63.99 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 126.506 1.922 . . . . 0.0 112.228 173.306 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.63 -43.27 99.49 Favored Glycine 0 CA--C 1.536 1.374 0 CA-C-N 119.317 0.962 . . . . 0.0 112.149 -164.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -61.62 -58.93 6.15 Favored 'General case' 0 C--N 1.346 0.428 0 C-N-CA 124.758 1.223 . . . . 0.0 112.377 176.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 65.6 m-80 -70.05 -29.54 66.58 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 113.069 0.766 . . . . 0.0 113.069 -174.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.79 -72.97 0.07 Allowed 'General case' 0 C--O 1.215 -0.759 0 CA-C-O 117.844 -1.074 . . . . 0.0 109.906 169.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.67 -17.53 55.88 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 114.784 1.401 . . . . 0.0 114.784 -172.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.54 -35.11 79.9 Favored 'General case' 0 CA--C 1.552 1.055 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 166.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 23.9 m120 -110.69 -38.52 5.14 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 115.212 1.56 . . . . 0.0 115.212 -176.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -178.63 -126.04 0.0 OUTLIER 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 128.18 2.592 . . . . 0.0 108.554 -154.252 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -126.36 -14.83 5.81 Favored 'General case' 0 CA--C 1.539 0.55 1 C-N-CA 131.831 4.053 . . . . 0.0 111.395 177.775 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.5 p -158.23 57.95 0.46 Allowed 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 127.67 2.388 . . . . 0.0 112.756 163.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 76.68 10.09 86.05 Favored Glycine 0 C--N 1.349 1.277 0 O-C-N 119.231 -2.168 . . . . 0.0 114.437 158.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 68.04 -28.86 0.25 Allowed Glycine 0 CA--C 1.547 2.045 0 C-N-CA 125.194 1.378 . . . . 0.0 114.569 -168.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -153.62 7.3 0.36 Allowed 'General case' 0 CA--C 1.558 1.285 0 C-N-CA 126.279 1.832 . . . . 0.0 115.333 -174.038 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . 52.63 19.98 1.39 Allowed 'General case' 0 CA--C 1.553 1.078 0 N-CA-C 116.3 1.963 . . . . 0.0 116.3 -168.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.85 8.51 21.63 Favored Glycine 0 CA--C 1.537 1.462 0 C-N-CA 126.675 2.083 . . . . 0.0 115.198 -179.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 31.6 p90 -56.29 -47.2 79.11 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 119.613 1.706 . . . . 0.0 111.31 176.229 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -164.52 3.72 0.03 OUTLIER 'General case' 0 CA--C 1.563 1.452 0 C-N-CA 126.307 1.843 . . . . 0.0 114.352 150.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 26.3 pttm -41.75 144.13 0.44 Allowed 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 118.852 2.908 . . . . 0.0 118.852 -92.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 71.0 m . . . . . 0 C--O 1.257 1.484 0 C-N-CA 127.94 2.496 . . . . 0.0 112.077 175.627 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 35.6 p-90 . . . . . 0 CA--C 1.549 0.94 0 N-CA-C 116.229 1.937 . . . . 0.0 116.229 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.37 -24.63 74.97 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 120.019 -1.675 . . . . 0.0 113.849 -176.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 36.0 m -65.15 -35.71 81.97 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 117.451 0.625 . . . . 0.0 111.457 170.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.25 -51.08 67.63 Favored 'General case' 0 C--N 1.344 0.364 0 CA-C-N 119.02 0.827 . . . . 0.0 112.072 174.11 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 8.5 pt -66.96 -24.14 31.96 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 N-CA-C 114.55 1.315 . . . . 0.0 114.55 173.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.72 -57.78 18.01 Favored Glycine 0 CA--C 1.537 1.416 0 C-N-CA 125.526 1.536 . . . . 0.0 111.691 162.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 85.3 m -52.96 -73.45 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 125.228 1.411 . . . . 0.0 112.387 175.06 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 2.1 mp -34.42 -55.63 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.726 0 C-N-CA 127.861 2.464 . . . . 0.0 113.423 169.387 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -73.54 -65.97 2.11 Favored Glycine 0 CA--C 1.537 1.421 0 O-C-N 120.041 -1.662 . . . . 0.0 116.063 -170.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 29.6 m120 -62.61 -42.38 99.54 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 123.978 0.911 . . . . 0.0 110.954 -175.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -79.78 -17.15 54.11 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-O 117.076 -1.44 . . . . 0.0 113.726 177.375 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.31 -59.8 4.2 Favored 'General case' 0 CA--C 1.502 -0.896 0 CA-C-N 121.583 1.992 . . . . 0.0 108.877 157.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.93 -22.5 65.66 Favored 'General case' 0 CA--C 1.561 1.4 0 CA-C-N 120.178 1.354 . . . . 0.0 113.625 -174.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -73.2 -25.67 60.86 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 115.913 1.82 . . . . 0.0 115.913 168.233 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . 0.253 29.2 p30 -115.94 -23.73 8.44 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 116.698 2.11 . . . . 0.0 116.698 -176.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 175.59 -135.24 0.0 OUTLIER 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 128.471 2.708 . . . . 0.0 109.596 -165.144 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -119.19 8.68 11.55 Favored 'General case' 0 CA--C 1.559 1.297 1 C-N-CA 132.857 4.463 . . . . 0.0 110.084 168.631 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 12.8 p 139.51 86.84 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.386 1 C-N-CA 135.088 5.355 . . . . 0.0 112.231 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 115.14 27.38 3.19 Favored Glycine 0 N--CA 1.475 1.262 0 O-C-N 120.282 -1.511 . . . . 0.0 115.28 147.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.65 -15.25 53.5 Favored Glycine 0 N--CA 1.476 1.363 0 CA-C-O 119.215 -0.769 . . . . 0.0 114.345 167.126 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -151.23 157.42 42.58 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 118.002 0.901 . . . . 0.0 112.658 169.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -80.17 9.28 5.81 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 114.911 1.448 . . . . 0.0 114.911 174.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -56.64 -13.64 8.23 Favored Glycine 0 CA--C 1.533 1.173 0 C-N-CA 128.201 2.81 . . . . 0.0 116.62 178.007 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.488 ' CD1' ' C ' ' A' ' 41' ' ' TRP . 0.0 OUTLIER -105.39 -42.59 5.2 Favored 'General case' 0 C--O 1.209 -1.049 0 CA-C-N 118.623 1.211 . . . . 0.0 113.334 150.786 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 46.5 m-80 -53.25 -2.24 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.262 0 N-CA-C 116.983 2.216 . . . . 0.0 116.983 -167.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.5 -65.68 0.39 Allowed 'General case' 0 N--CA 1.483 1.198 0 N-CA-C 115.368 1.618 . . . . 0.0 115.368 139.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 41.0 t . . . . . 0 C--O 1.252 1.197 1 C-N-CA 132.234 4.213 . . . . 0.0 112.178 -175.316 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 33.2 p-90 . . . . . 0 N--CA 1.484 1.236 0 N-CA-C 116.379 1.992 . . . . 0.0 116.379 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -52.43 -39.58 52.65 Favored Glycine 0 N--CA 1.475 1.265 0 C-N-CA 125.691 1.615 . . . . 0.0 113.539 -172.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 62.1 m -66.58 -45.53 78.96 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.35 1.46 . . . . 0.0 111.362 178.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.76 -57.36 12.76 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 125.259 1.424 . . . . 0.0 113.077 178.24 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 40.6 mm -65.64 -30.62 50.69 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.696 0 C-N-CA 124.559 1.143 . . . . 0.0 112.285 176.142 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.69 -47.86 78.86 Favored Glycine 0 CA--C 1.527 0.793 0 O-C-N 120.622 -1.299 . . . . 0.0 113.134 174.224 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.439 ' HB3' ' CD1' ' A' ' 41' ' ' TRP . 68.1 m -54.71 -62.56 1.58 Allowed 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 125.547 1.539 . . . . 0.0 111.222 173.346 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 52.7 mt -33.67 -66.3 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 126.817 2.047 . . . . 0.0 112.069 164.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -54.49 -52.24 46.34 Favored Glycine 0 CA--C 1.538 1.52 0 CA-C-N 119.757 1.162 . . . . 0.0 115.08 -171.185 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 45.4 t30 -61.64 -66.14 0.58 Allowed 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 124.174 0.99 . . . . 0.0 113.182 -178.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -79.48 -13.39 59.6 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 120.763 -1.21 . . . . 0.0 113.386 -174.448 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.91 -46.49 84.58 Favored 'General case' 0 C--N 1.347 0.463 0 CA-C-N 121.309 1.868 . . . . 0.0 112.675 160.429 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.3 -24.68 66.59 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 120.925 1.693 . . . . 0.0 113.068 179.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.36 -49.25 67.54 Favored 'General case' 0 CA--C 1.555 1.136 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 163.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -67.22 -50.99 58.65 Favored 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 126.175 1.79 . . . . 0.0 114.321 -177.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 172.92 -122.3 0.0 OUTLIER 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 127.747 2.419 . . . . 0.0 110.095 -137.705 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -145.13 -34.15 0.35 Allowed 'General case' 0 CA--C 1.547 0.85 1 C-N-CA 133.052 4.541 . . . . 0.0 110.325 -175.233 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -159.93 94.91 1.15 Allowed 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 128.673 2.789 . . . . 0.0 111.65 152.772 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 99.25 36.56 4.36 Favored Glycine 0 N--CA 1.47 0.955 0 C-N-CA 118.709 -1.71 . . . . 0.0 115.149 143.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -54.27 -17.66 8.37 Favored Glycine 0 CA--C 1.545 1.968 0 CA-C-N 118.053 0.926 . . . . 0.0 112.775 159.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 59.9 t30 -150.96 166.33 30.99 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.988 1.315 . . . . 0.0 113.28 167.02 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -76.88 20.3 0.25 Allowed 'General case' 0 CA--C 1.558 1.252 0 C-N-CA 127.399 2.28 . . . . 0.0 113.428 170.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -53.31 -32.25 43.96 Favored Glycine 0 CA--C 1.523 0.574 0 C-N-CA 127.194 2.33 . . . . 0.0 114.764 -178.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.475 ' CD1' ' C ' ' A' ' 41' ' ' TRP . 0.1 OUTLIER -97.62 -38.19 9.63 Favored 'General case' 0 C--O 1.217 -0.651 0 CA-C-O 117.603 -1.189 . . . . 0.0 112.661 156.228 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . 0.252 1.1 t-20 -57.14 2.25 0.03 OUTLIER 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 116.735 2.124 . . . . 0.0 116.735 -163.42 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.53 -45.09 2.2 Favored 'General case' 0 CA--C 1.551 0.982 0 N-CA-C 116.929 2.196 . . . . 0.0 116.929 141.24 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 65.5 m . . . . . 0 C--O 1.251 1.15 0 C-N-CA 125.099 1.359 . . . . 0.0 112.832 -175.032 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 14.4 p-90 . . . . . 0 CA--C 1.554 1.135 0 N-CA-C 116.904 2.187 . . . . 0.0 116.904 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -70.86 -40.04 64.28 Favored Glycine 0 CA--C 1.532 1.141 0 O-C-N 119.987 -1.696 . . . . 0.0 109.801 175.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.1 p -66.58 -31.89 72.88 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 125.414 1.486 . . . . 0.0 112.891 167.36 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.51 -51.21 70.41 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 125.052 1.341 . . . . 0.0 110.745 172.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 18.5 mm -62.25 -39.36 83.81 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.899 0 C-N-CA 123.729 0.812 . . . . 0.0 111.677 172.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.91 -46.91 91.89 Favored Glycine 0 CA--C 1.535 1.284 0 C-N-CA 123.824 0.726 . . . . 0.0 113.294 175.194 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 7.0 t -55.74 -74.08 0.05 OUTLIER 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 126.639 1.976 . . . . 0.0 111.07 169.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.7 mp -46.93 -40.37 4.94 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 C-N-CA 125.043 1.337 . . . . 0.0 112.595 -179.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -66.86 -53.9 24.7 Favored Glycine 0 CA--C 1.539 1.583 0 CA-C-N 121.795 2.088 . . . . 0.0 114.577 177.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -63.9 -44.07 94.11 Favored 'General case' 0 CA--C 1.54 0.563 0 O-C-N 121.207 -1.173 . . . . 0.0 111.517 178.058 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 27.2 m120 -67.24 -34.91 78.45 Favored 'General case' 0 CA--C 1.549 0.911 0 CA-C-O 118.06 -0.972 . . . . 0.0 113.135 176.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -51.37 -60.3 3.28 Favored 'General case' 0 C--O 1.216 -0.691 0 CA-C-N 120.246 1.385 . . . . 0.0 109.822 168.326 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.76 -21.86 66.62 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 120.399 1.454 . . . . 0.0 113.982 -177.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.21 -23.17 62.89 Favored 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 114.66 1.356 . . . . 0.0 114.66 169.167 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 9.9 p30 -107.31 -26.61 10.94 Favored 'General case' 0 C--O 1.24 0.593 0 N-CA-C 116.187 1.921 . . . . 0.0 116.187 176.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . 0.446 ' CG ' ' N ' ' A' ' 34' ' ' ALA . 2.0 t-105 146.04 -101.61 0.0 OUTLIER 'General case' 0 CA--C 1.565 1.519 0 C-N-CA 130.368 3.467 . . . . 0.0 111.068 -156.535 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.446 ' N ' ' CG ' ' A' ' 33' ' ' TRP . . . -154.84 43.49 0.49 Allowed 'General case' 0 CA--C 1.563 1.445 0 C-N-CA 130.742 3.617 . . . . 0.0 107.365 -172.113 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . 0.356 6.5 t 56.09 79.86 0.16 Allowed 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 129.032 2.933 . . . . 0.0 112.055 -163.363 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -179.86 -15.47 0.03 OUTLIER Glycine 0 N--CA 1.472 1.048 0 CA-C-O 118.208 -1.329 . . . . 0.0 115.953 170.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -53.62 -56.31 20.81 Favored Glycine 0 CA--C 1.539 1.57 0 CA-C-N 119.832 1.816 . . . . 0.0 113.21 172.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.6 p-10 -164.29 145.68 8.48 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 127.111 2.164 . . . . 0.0 111.667 176.419 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.415 ' C ' ' H ' ' A' ' 41' ' ' TRP . . . -82.72 -17.21 45.14 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 125.46 1.504 . . . . 0.0 113.459 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -59.88 8.62 0.05 OUTLIER Glycine 0 CA--C 1.536 1.347 0 C-N-CA 126.873 2.178 . . . . 0.0 115.72 173.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.415 ' H ' ' C ' ' A' ' 39' ' ' ALA . 1.7 p90 -48.21 -41.46 27.33 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 127.76 2.424 . . . . 0.0 113.177 168.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 147.49 8.26 0.0 OUTLIER 'General case' 0 CA--C 1.557 1.217 1 C-N-CA 135.46 5.504 . . . . 0.0 113.651 -174.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 19.9 ptmt 1.28 82.38 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 129.745 3.218 . . . . 0.0 115.315 -174.182 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 8.9 p . . . . . 0 C--O 1.257 1.473 0 CA-C-N 113.632 -1.622 . . . . 0.0 113.937 -162.32 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 34.1 p-90 . . . . . 0 CA--C 1.552 1.03 0 N-CA-C 114.262 1.208 . . . . 0.0 114.262 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -60.16 -19.56 52.05 Favored Glycine 0 CA--C 1.529 0.939 0 C-N-CA 123.499 0.571 . . . . 0.0 114.337 173.191 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 29.2 p -60.79 -44.93 96.19 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 118.69 1.245 . . . . 0.0 113.339 168.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.94 -53.81 18.83 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 124.893 1.277 . . . . 0.0 112.191 177.094 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 21.8 pt -68.86 -17.22 21.79 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 N-CA-C 114.329 1.233 . . . . 0.0 114.329 176.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -82.7 -37.87 12.95 Favored Glycine 0 C--N 1.342 0.873 0 C-N-CA 125.05 1.31 . . . . 0.0 113.6 170.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 53.3 t -54.08 -52.16 61.84 Favored 'General case' 0 C--O 1.246 0.92 0 C-N-CA 125.162 1.385 . . . . 0.0 110.373 165.048 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.3 mp -53.06 -56.64 6.98 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.785 0 C-N-CA 123.629 0.771 . . . . 0.0 111.629 166.13 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.23 -44.47 84.19 Favored Glycine 0 CA--C 1.531 1.075 0 C-N-CA 125.381 1.467 . . . . 0.0 113.628 -169.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 50.3 m-80 -64.7 -55.61 18.94 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 112.767 0.655 . . . . 0.0 112.767 173.574 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 69.8 m-80 -74.12 -26.58 60.42 Favored 'General case' 0 CA--C 1.551 1.014 0 N-CA-C 114.539 1.311 . . . . 0.0 114.539 -172.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.61 -72.67 0.07 Allowed 'General case' 0 C--O 1.206 -1.207 0 CA-C-O 116.598 -1.668 . . . . 0.0 109.548 158.277 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.92 -9.27 28.03 Favored 'General case' 0 CA--C 1.553 1.072 0 CA-C-N 123.637 2.926 . . . . 0.0 115.656 -167.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.91 -61.08 2.65 Favored 'General case' 0 CA--C 1.547 0.845 0 O-C-N 120.406 -1.433 . . . . 0.0 112.915 154.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -153.28 94.08 1.78 Allowed 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 126.421 1.888 . . . . 0.0 110.619 170.678 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -153.35 -55.46 0.12 Allowed 'General case' 0 CA--C 1.554 1.128 0 C-N-CA 130.678 3.591 . . . . 0.0 108.653 2.793 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -143.96 68.78 1.27 Allowed 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 128.695 2.798 . . . . 0.0 107.607 169.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 41.6 p 44.33 44.4 6.71 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 126.371 1.868 . . . . 0.0 114.341 -164.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -158.96 -10.37 0.05 OUTLIER Glycine 0 N--CA 1.476 1.353 0 N-CA-C 118.791 2.276 . . . . 0.0 118.791 -175.499 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -73.06 -29.08 65.28 Favored Glycine 0 CA--C 1.532 1.119 0 CA-C-N 119.762 1.781 . . . . 0.0 114.542 177.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -144.05 -48.62 0.28 Allowed 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 115.684 1.735 . . . . 0.0 115.684 178.297 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . 58.9 -26.36 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 129.233 3.013 . . . . 0.0 116.96 -172.321 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -67.25 11.03 0.79 Allowed Glycine 0 CA--C 1.54 1.598 0 C-N-CA 126.151 1.834 . . . . 0.0 114.099 170.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 2.2 p90 -57.84 -54.81 42.74 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 126.953 2.101 . . . . 0.0 109.405 178.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 21.5 p30 -162.77 0.18 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 128.85 2.86 . . . . 0.0 113.779 163.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 25.2 pttm -27.81 138.95 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.289 0 N-CA-C 118.864 2.913 . . . . 0.0 118.864 -114.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.3 m . . . . . 0 C--O 1.257 1.448 0 CA-C-N 114.148 -1.387 . . . . 0.0 113.976 -157.684 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 64.3 p-90 . . . . . 0 CA--C 1.545 0.774 0 N-CA-C 116.284 1.957 . . . . 0.0 116.284 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -52.03 -30.49 30.66 Favored Glycine 0 N--CA 1.473 1.117 0 C-N-CA 125.577 1.561 . . . . 0.0 113.648 162.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 36.3 p -59.29 -42.74 92.02 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 126.573 1.949 . . . . 0.0 112.42 170.057 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.08 -42.86 93.69 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.89 0.876 . . . . 0.0 112.345 175.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.0 mt -57.88 -49.52 80.81 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 122.987 0.515 . . . . 0.0 110.942 172.033 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.88 -40.43 98.84 Favored Glycine 0 N--CA 1.472 1.036 0 C-N-CA 123.826 0.727 . . . . 0.0 113.001 179.317 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 27.9 t -60.33 -52.37 65.56 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.219 1.408 . . . . 0.0 112.387 175.246 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.4 mp -52.68 -48.03 49.26 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 C-N-CA 125.204 1.402 . . . . 0.0 112.542 166.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -68.18 -41.31 86.85 Favored Glycine 0 CA--C 1.527 0.821 0 CA-C-N 119.64 1.109 . . . . 0.0 115.568 -173.054 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 19.6 t30 -59.92 -53.22 60.43 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.488 1.115 . . . . 0.0 110.622 173.034 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 67.4 m-80 -73.23 -23.75 60.4 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 114.382 1.253 . . . . 0.0 114.382 -178.121 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.21 -55.59 32.76 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 117.823 -1.084 . . . . 0.0 109.98 164.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.55 -26.17 68.3 Favored 'General case' 0 CA--C 1.561 1.387 0 CA-C-N 120.575 1.534 . . . . 0.0 113.349 -178.225 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.07 -45.81 79.97 Favored 'General case' 0 CA--C 1.547 0.849 0 O-C-N 121.248 -0.907 . . . . 0.0 113.356 167.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.68 -54.06 37.59 Favored 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 125.613 1.565 . . . . 0.0 114.487 175.159 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 157.86 -118.05 0.0 OUTLIER 'General case' 0 CA--C 1.564 1.5 0 C-N-CA 128.196 2.598 . . . . 0.0 110.231 -129.594 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -146.22 9.87 1.12 Allowed 'General case' 0 CA--C 1.56 1.361 1 C-N-CA 132.053 4.141 . . . . 0.0 111.205 -179.023 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 22.0 p 118.84 100.49 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.787 1 C-N-CA 134.691 5.197 . . . . 0.0 110.218 -171.188 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 139.76 -16.29 3.07 Favored Glycine 0 N--CA 1.482 1.757 0 N-CA-C 116.312 1.285 . . . . 0.0 116.312 160.09 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -51.63 -39.63 46.33 Favored Glycine 0 CA--C 1.542 1.777 0 CA-C-N 120.139 1.97 . . . . 0.0 114.262 178.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -156.19 98.49 1.87 Allowed 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 125.907 1.683 . . . . 0.0 110.576 169.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.97 -19.67 63.04 Favored 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 174.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -58.74 6.62 0.04 OUTLIER Glycine 0 CA--C 1.551 2.32 0 C-N-CA 126.698 2.094 . . . . 0.0 114.786 164.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 1.5 p90 -50.61 -43.25 56.76 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 126.487 1.915 . . . . 0.0 112.642 172.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 149.66 25.34 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.969 1 C-N-CA 133.835 4.854 . . . . 0.0 111.461 -179.425 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 63.0 pttt -24.34 108.21 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 128.273 2.629 . . . . 0.0 116.392 -162.452 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 3.9 m . . . . . 0 C--O 1.252 1.2 0 CA-C-N 113.955 -1.475 . . . . 0.0 114.132 -151.667 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 45.1 p-90 . . . . . 0 CA--C 1.545 0.784 0 N-CA-C 115.286 1.587 . . . . 0.0 115.286 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.47 -22.8 75.12 Favored Glycine 0 CA--C 1.543 1.84 0 O-C-N 119.603 -1.936 . . . . 0.0 111.922 173.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 13.4 m -66.01 -32.02 73.25 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 121.391 -1.064 . . . . 0.0 112.373 165.677 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.77 -41.24 92.3 Favored 'General case' 0 CA--C 1.535 0.375 0 O-C-N 120.142 -1.599 . . . . 0.0 111.802 171.131 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 6.9 mm -59.61 -44.07 92.53 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 O-C-N 120.855 -1.153 . . . . 0.0 112.436 170.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.92 -46.6 93.24 Favored Glycine 0 CA--C 1.533 1.174 0 C-N-CA 123.591 0.615 . . . . 0.0 111.672 177.172 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 50.1 t -54.46 -64.84 0.7 Allowed 'General case' 0 CA--C 1.554 1.106 0 C-N-CA 126.996 2.118 . . . . 0.0 112.232 174.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.7 mp -53.74 -48.76 60.48 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.108 0 C-N-CA 124.538 1.135 . . . . 0.0 111.468 175.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.79 -51.15 57.09 Favored Glycine 0 CA--C 1.535 1.335 0 C-N-CA 124.623 1.106 . . . . 0.0 112.518 -173.022 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -66.62 -53.2 36.76 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 123.398 0.679 . . . . 0.0 111.997 177.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 68.5 m-80 -72.64 -38.95 67.55 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 121.049 -1.032 . . . . 0.0 112.589 -170.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.98 -37.58 88.12 Favored 'General case' 0 C--O 1.214 -0.794 0 O-C-N 120.135 -1.603 . . . . 0.0 112.258 169.165 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.0 -24.0 66.77 Favored 'General case' 0 CA--C 1.553 1.091 0 CA-C-N 121.551 1.978 . . . . 0.0 112.805 175.166 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.83 -21.94 50.72 Favored 'General case' 0 CA--C 1.557 1.212 0 N-CA-C 114.713 1.375 . . . . 0.0 114.713 165.362 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 54.6 m-80 -110.03 -4.95 15.57 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 117.154 2.279 . . . . 0.0 117.154 -176.207 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 147.26 -106.33 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.239 1 C-N-CA 132.193 4.197 . . . . 0.0 109.853 -162.746 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -165.0 -33.99 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.43 1 C-N-CA 132.239 4.216 . . . . 0.0 109.55 -173.738 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 17.6 p -139.85 65.28 1.43 Allowed 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 126.4 1.88 . . . . 0.0 112.1 151.281 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 76.87 84.33 0.47 Allowed Glycine 0 CA--C 1.54 1.624 0 CA-C-O 122.684 1.158 . . . . 0.0 115.487 153.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -58.06 -9.16 5.34 Favored Glycine 0 CA--C 1.547 2.042 0 CA-C-N 114.421 -0.889 . . . . 0.0 113.128 142.566 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -155.02 170.53 21.57 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 126.314 1.846 . . . . 0.0 109.592 170.108 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -132.49 -7.65 3.28 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.231 1.412 . . . . 0.0 114.094 176.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -72.64 14.07 2.73 Favored Glycine 0 CA--C 1.53 1.013 0 C-N-CA 126.405 1.955 . . . . 0.0 116.235 -179.358 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 19.4 p90 -49.91 -62.2 1.7 Allowed 'General case' 0 C--N 1.343 0.319 0 C-N-CA 126.297 1.839 . . . . 0.0 111.016 175.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -152.51 12.29 0.53 Allowed 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 128.314 2.645 . . . . 0.0 111.501 154.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt 46.77 173.13 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 125.9 1.68 . . . . 0.0 114.123 -141.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 58.1 m . . . . . 0 C--O 1.253 1.272 0 CA-C-O 118.089 -0.958 . . . . 0.0 111.055 125.047 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 55.7 p-90 . . . . . 0 CA--C 1.549 0.909 0 N-CA-C 113.606 0.965 . . . . 0.0 113.606 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -73.07 -16.27 78.5 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 114.823 0.689 . . . . 0.0 114.823 178.517 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 23.0 m -73.8 -41.31 62.53 Favored 'General case' 0 N--CA 1.476 0.843 0 O-C-N 121.025 -1.279 . . . . 0.0 111.074 167.352 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.64 -54.63 44.17 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.184 0.994 . . . . 0.0 111.868 174.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 7.5 pt -68.59 -25.85 31.86 Favored 'Isoleucine or valine' 0 C--N 1.348 0.513 0 CA-C-N 119.12 0.873 . . . . 0.0 112.738 174.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.18 -50.61 65.94 Favored Glycine 0 CA--C 1.547 2.085 0 C-N-CA 124.502 1.049 . . . . 0.0 111.567 171.219 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 70.9 m -56.48 -70.2 0.13 Allowed 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.864 0.865 . . . . 0.0 111.281 171.102 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.7 mp -52.04 -42.41 34.56 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 C-N-CA 124.615 1.166 . . . . 0.0 111.407 -173.326 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.3 -58.66 13.27 Favored Glycine 0 CA--C 1.538 1.524 0 O-C-N 120.963 -1.085 . . . . 0.0 114.052 177.39 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 36.2 t30 -64.61 -51.73 61.15 Favored 'General case' 0 C--O 1.241 0.64 0 C-N-CA 123.567 0.747 . . . . 0.0 112.641 178.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -63.89 -40.8 97.36 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.432 1.093 . . . . 0.0 111.661 -177.348 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.83 -38.71 83.56 Favored 'General case' 0 C--O 1.217 -0.616 0 O-C-N 120.421 -1.424 . . . . 0.0 113.051 171.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.6 -24.52 66.74 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 120.167 1.349 . . . . 0.0 112.883 178.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -74.85 -40.72 60.85 Favored 'General case' 0 CA--C 1.552 1.039 0 N-CA-C 114.293 1.219 . . . . 0.0 114.293 166.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 34.2 m-80 -74.01 -42.3 60.56 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 125.386 1.475 . . . . 0.0 114.231 -179.349 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 170.8 -113.43 0.0 OUTLIER 'General case' 0 CA--C 1.557 1.247 0 C-N-CA 127.989 2.516 . . . . 0.0 108.783 -147.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -154.19 -39.04 0.09 Allowed 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 131.575 3.95 . . . . 0.0 109.28 -171.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 16.7 p -146.18 81.55 1.59 Allowed 'General case' 0 C--N 1.349 0.587 0 C-N-CA 127.595 2.358 . . . . 0.0 111.825 150.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 79.79 71.43 1.26 Allowed Glycine 0 C--N 1.346 1.101 0 C-N-CA 118.83 -1.652 . . . . 0.0 114.16 148.213 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -58.84 -6.54 3.81 Favored Glycine 0 CA--C 1.552 2.368 0 CA-C-O 119.734 -0.481 . . . . 0.0 113.137 146.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -150.31 178.8 8.67 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 125.287 1.435 . . . . 0.0 111.365 164.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -130.63 -20.26 2.92 Favored 'General case' 0 CA--C 1.559 1.298 0 C-N-CA 125.872 1.669 . . . . 0.0 113.573 170.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -66.98 20.66 0.21 Allowed Glycine 0 CA--C 1.538 1.504 0 O-C-N 120.059 -1.651 . . . . 0.0 115.201 169.303 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 6.1 p90 -55.41 -45.53 76.71 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.657 1.583 . . . . 0.0 112.01 167.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 153.13 20.28 0.0 OUTLIER 'General case' 0 CA--C 1.555 1.159 1 C-N-CA 133.855 4.862 . . . . 0.0 111.794 -175.649 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 20.7 pttp -15.05 94.5 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.949 0 C-N-CA 127.639 2.376 . . . . 0.0 116.443 -172.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 68.1 m . . . . . 0 C--O 1.258 1.537 0 CA-C-O 117.8 -1.095 . . . . 0.0 113.357 -162.471 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . 0.287 7.8 m95 . . . . . 0 N--CA 1.466 0.371 0 N-CA-C 117.066 2.247 . . . . 0.0 117.066 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -63.37 -25.62 68.69 Favored Glycine 0 CA--C 1.541 1.694 0 CA-C-N 120.127 1.331 . . . . 0.0 113.722 -167.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 22.8 m -60.5 -39.64 88.45 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.339 1.056 . . . . 0.0 113.47 168.468 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.59 -41.34 84.26 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 119.36 0.982 . . . . 0.0 111.463 176.276 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 5.0 mt -60.81 -43.55 95.66 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 124.165 0.986 . . . . 0.0 111.356 173.52 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.3 -56.35 24.8 Favored Glycine 0 CA--C 1.542 1.75 0 C-N-CA 124.732 1.158 . . . . 0.0 113.489 170.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 4.6 t -48.98 -56.12 9.87 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 126.352 1.861 . . . . 0.0 111.38 175.516 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 41.0 mt -53.69 -61.94 0.79 Allowed 'Isoleucine or valine' 0 C--O 1.223 -0.315 0 C-N-CA 125.994 1.718 . . . . 0.0 112.351 172.113 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.13 -41.26 99.7 Favored Glycine 0 CA--C 1.531 1.052 0 CA-C-N 118.992 0.814 . . . . 0.0 114.194 -168.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -61.83 -55.17 32.74 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.731 0.813 . . . . 0.0 111.845 174.11 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -75.47 -24.9 57.01 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 114.374 1.25 . . . . 0.0 114.374 -175.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.48 -63.62 1.09 Allowed 'General case' 0 C--O 1.216 -0.674 0 O-C-N 120.071 -1.643 . . . . 0.0 109.068 165.132 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.25 -24.42 64.87 Favored 'General case' 0 CA--C 1.552 1.04 0 N-CA-C 113.561 0.948 . . . . 0.0 113.561 -175.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.98 -41.98 94.95 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 114.898 1.444 . . . . 0.0 114.898 167.257 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 27.3 m120 -89.92 -40.0 12.66 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 114.504 1.298 . . . . 0.0 114.504 -178.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 175.51 -123.83 0.0 OUTLIER 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 129.393 3.077 . . . . 0.0 109.115 -151.196 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -137.71 -20.75 1.15 Allowed 'General case' 0 CA--C 1.546 0.796 1 C-N-CA 132.125 4.17 . . . . 0.0 111.054 -177.814 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.3 p -148.94 73.51 1.22 Allowed 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.768 1.627 . . . . 0.0 111.095 152.051 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 78.95 8.65 87.71 Favored Glycine 0 N--CA 1.479 1.527 0 O-C-N 119.634 -1.916 . . . . 0.0 115.37 147.122 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.61 8.94 42.24 Favored Glycine 0 CA--C 1.543 1.783 0 CA-C-N 119.266 1.533 . . . . 0.0 113.744 -162.468 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.2 p30 127.63 -32.3 0.01 OUTLIER 'General case' 0 CA--C 1.551 1.003 1 C-N-CA 137.048 6.139 . . . . 0.0 113.384 177.212 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -159.11 -4.55 0.07 Allowed 'General case' 0 CA--C 1.556 1.176 0 N-CA-C 117.28 2.326 . . . . 0.0 117.28 -169.213 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -64.52 -6.05 20.22 Favored Glycine 0 CA--C 1.536 1.36 0 N-CA-C 117.644 1.818 . . . . 0.0 117.644 -157.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.494 ' CD1' ' HA ' ' A' ' 43' ' ' LYS . 39.1 p90 -67.07 -49.91 63.51 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-N 119.589 1.695 . . . . 0.0 112.918 178.713 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.2 p30 170.57 21.7 0.0 OUTLIER 'General case' 0 CA--C 1.56 1.341 0 C-N-CA 129.812 3.245 . . . . 0.0 112.826 171.231 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.494 ' HA ' ' CD1' ' A' ' 41' ' ' TRP 0.337 25.9 pttm -32.99 103.13 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 117.424 2.379 . . . . 0.0 117.424 -104.838 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 C--O 1.253 1.237 0 C-N-CA 125.303 1.441 . . . . 0.0 112.37 154.026 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 62.3 p-90 . . . . . 0 N--CA 1.478 0.971 0 CA-C-O 121.573 0.701 . . . . 0.0 111.944 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -67.63 -22.46 73.44 Favored Glycine 0 N--CA 1.478 1.459 0 O-C-N 119.954 -1.716 . . . . 0.0 113.307 179.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 17.0 m -68.19 -36.28 79.33 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 117.916 0.858 . . . . 0.0 110.703 172.172 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.47 -51.96 67.22 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 124.865 1.266 . . . . 0.0 110.659 168.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 35.5 mm -55.8 -41.05 64.64 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 C-N-CA 123.185 0.594 . . . . 0.0 111.387 175.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.32 -46.34 79.34 Favored Glycine 0 N--CA 1.472 1.042 0 C-N-CA 123.968 0.794 . . . . 0.0 113.264 176.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 39.4 t -50.91 -60.98 2.5 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 126.919 2.088 . . . . 0.0 111.28 172.391 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.7 mp -54.18 -56.13 11.15 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 C-N-CA 125.693 1.597 . . . . 0.0 111.286 173.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -57.79 -49.46 74.15 Favored Glycine 0 CA--C 1.534 1.223 0 C-N-CA 125.333 1.444 . . . . 0.0 115.298 -171.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -64.41 -45.77 86.17 Favored 'General case' 0 C--O 1.241 0.613 0 C-N-CA 124.046 0.938 . . . . 0.0 111.138 177.242 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 69.6 m-80 -76.53 -30.59 57.21 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-O 118.105 -0.95 . . . . 0.0 113.278 -177.273 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -49.9 -65.98 0.47 Allowed 'General case' 0 C--O 1.214 -0.766 0 C-N-CA 125.221 1.409 . . . . 0.0 109.749 165.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.28 -23.99 67.5 Favored 'General case' 0 CA--C 1.553 1.058 0 CA-C-N 120.565 1.53 . . . . 0.0 113.605 -175.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.65 -19.86 63.6 Favored 'General case' 0 CA--C 1.551 1.005 0 N-CA-C 114.624 1.342 . . . . 0.0 114.624 167.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -112.81 -23.65 10.02 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 116.868 2.173 . . . . 0.0 116.868 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . 0.42 ' CG ' ' N ' ' A' ' 34' ' ' ALA . 1.2 t-105 141.12 -105.38 0.0 OUTLIER 'General case' 0 CA--C 1.553 1.076 0 C-N-CA 131.076 3.75 . . . . 0.0 110.99 -155.296 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.42 ' N ' ' CG ' ' A' ' 33' ' ' TRP . . . -147.79 8.81 0.88 Allowed 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 130.072 3.349 . . . . 0.0 111.294 -170.549 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . 0.256 80.7 p 102.56 66.2 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.344 1 C-N-CA 133.32 4.648 . . . . 0.0 110.124 -162.65 . . . . . . . . 3 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -170.5 -17.17 0.02 OUTLIER Glycine 0 N--CA 1.479 1.535 0 N-CA-C 116.951 1.54 . . . . 0.0 116.951 174.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -58.98 -33.21 72.94 Favored Glycine 0 CA--C 1.541 1.698 0 CA-C-N 120.214 2.007 . . . . 0.0 113.783 163.001 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 8.0 p-10 -161.52 172.48 16.33 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 127.974 2.51 . . . . 0.0 111.572 169.24 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -125.33 -23.9 4.05 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 125.752 1.621 . . . . 0.0 113.488 171.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -71.47 24.56 0.61 Allowed Glycine 0 CA--C 1.535 1.292 0 C-N-CA 125.625 1.583 . . . . 0.0 114.642 178.452 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.423 ' CD1' ' N ' ' A' ' 42' ' ' ASN . 13.6 p90 -53.45 -66.02 0.46 Allowed 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 126.517 1.927 . . . . 0.0 110.085 170.454 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.428 ' C ' ' H ' ' A' ' 44' ' ' CYS . 34.2 m-80 -152.2 7.08 0.44 Allowed 'General case' 0 CA--C 1.555 1.144 1 C-N-CA 131.821 4.048 . . . . 0.0 109.031 164.467 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 26.5 mmmt 62.95 -27.31 0.07 Allowed 'General case' 0 N--CA 1.494 1.752 0 C-N-CA 128.765 2.826 . . . . 0.0 116.041 -164.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.428 ' H ' ' C ' ' A' ' 42' ' ' ASN . 64.5 m . . . . . 0 CA--C 1.55 0.973 0 N-CA-C 116.622 2.082 . . . . 0.0 116.622 -124.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 4.7 tmtp? . . . . . 0 N--CA 1.493 1.683 0 CA-C-O 119.522 -0.275 . . . . 0.01 111.275 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -111.64 -28.34 8.17 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 125.051 1.341 . . . . 0.0 110.823 165.247 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 29.1 t80 -137.52 -169.39 2.51 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 127.922 2.489 . . . . 0.0 109.725 160.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.78 18.79 0.04 OUTLIER Glycine 0 CA--C 1.53 0.995 0 N-CA-C 120.2 2.84 . . . . 0.0 120.2 175.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -129.6 81.09 2.0 Allowed 'General case' 0 N--CA 1.483 1.192 0 CA-C-N 120.355 2.077 . . . . 0.0 109.702 177.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 79.58 105.05 0.25 Allowed Glycine 0 N--CA 1.469 0.892 0 N-CA-C 108.398 -1.881 . . . . 0.0 108.398 -154.016 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.487 ' H ' ' HB3' ' A' ' 17' ' ' ASP 0.295 0.3 OUTLIER 51.39 150.04 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.544 0.724 1 C-N-CA 133.626 4.771 . . . . 0.0 117.213 -170.542 . . . . . . . . 5 4 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 62.8 m80 -112.04 -35.99 5.5 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 125.188 1.395 . . . . 0.0 114.691 -172.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.411 ' N ' ' HB2' ' A' ' 14' ' ' CYS 0.611 1.6 p -153.93 -128.63 0.03 OUTLIER 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 116.902 2.186 . . . . 0.0 116.902 158.165 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -155.28 -157.35 8.19 Favored Glycine 0 CA--C 1.542 1.729 0 C-N-CA 126.18 1.848 . . . . 0.0 111.233 -171.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -48.89 -20.52 0.51 Allowed 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 127.243 2.217 . . . . 0.0 115.019 177.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -37.79 -57.76 0.97 Allowed 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 126.774 2.03 . . . . 0.0 112.884 160.262 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 30.2 p 172.62 -44.97 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 127.453 2.301 . . . . 0.0 112.937 -176.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.411 ' HB2' ' N ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -74.42 -74.01 0.21 Allowed 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 124.38 1.072 . . . . 0.0 113.763 -160.768 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 6.1 m 52.89 -127.44 2.45 Favored 'General case' 0 CA--C 1.549 0.922 0 CA-C-O 117.752 -1.118 . . . . 0.0 110.463 -177.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 53.0 t 48.82 95.51 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 N-CA-C 117.465 2.394 . . . . 0.0 117.465 177.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.487 ' HB3' ' H ' ' A' ' 7' ' ' VAL . 0.4 OUTLIER -98.02 -1.81 41.78 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 113.246 0.832 . . . . 0.0 113.246 138.763 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 69.3 p-90 -121.87 -36.61 2.98 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 126.688 1.995 . . . . 0.0 115.428 -164.07 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -73.99 -22.12 78.34 Favored Glycine 0 N--CA 1.474 1.217 0 CA-C-N 119.889 1.222 . . . . 0.0 114.443 -172.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 10.4 p -65.1 -53.66 42.05 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 124.666 1.187 . . . . 0.0 110.57 164.368 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.08 -54.43 39.46 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.762 1.225 . . . . 0.0 111.957 177.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 6.3 pt -63.88 -26.34 40.35 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 N-CA-C 113.561 0.949 . . . . 0.0 113.561 175.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.71 -48.97 58.59 Favored Glycine 0 CA--C 1.524 0.639 0 C-N-CA 124.559 1.076 . . . . 0.0 112.431 171.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 35.2 m -51.51 -58.13 7.14 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.934 1.294 . . . . 0.0 112.149 171.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 28.1 mt -49.47 -63.99 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 126.506 1.922 . . . . 0.0 112.228 173.306 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.63 -43.27 99.49 Favored Glycine 0 CA--C 1.536 1.374 0 CA-C-N 119.317 0.962 . . . . 0.0 112.149 -164.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -61.62 -58.93 6.15 Favored 'General case' 0 C--N 1.346 0.428 0 C-N-CA 124.758 1.223 . . . . 0.0 112.377 176.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 65.6 m-80 -70.05 -29.54 66.58 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 113.069 0.766 . . . . 0.0 113.069 -174.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.79 -72.97 0.07 Allowed 'General case' 0 C--O 1.215 -0.759 0 CA-C-O 117.844 -1.074 . . . . 0.0 109.906 169.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.67 -17.53 55.88 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 114.784 1.401 . . . . 0.0 114.784 -172.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.54 -35.11 79.9 Favored 'General case' 0 CA--C 1.552 1.055 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 166.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 23.9 m120 -110.69 -38.52 5.14 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 115.212 1.56 . . . . 0.0 115.212 -176.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -178.63 -126.04 0.0 OUTLIER 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 128.18 2.592 . . . . 0.0 108.554 -154.252 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -126.36 -14.83 5.81 Favored 'General case' 0 CA--C 1.539 0.55 1 C-N-CA 131.831 4.053 . . . . 0.0 111.395 177.775 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.5 p -158.23 57.95 0.46 Allowed 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 127.67 2.388 . . . . 0.0 112.756 163.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 76.68 10.09 86.05 Favored Glycine 0 C--N 1.349 1.277 0 O-C-N 119.231 -2.168 . . . . 0.0 114.437 158.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 68.04 -28.86 0.25 Allowed Glycine 0 CA--C 1.547 2.045 0 C-N-CA 125.194 1.378 . . . . 0.0 114.569 -168.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -153.62 7.3 0.36 Allowed 'General case' 0 CA--C 1.558 1.285 0 C-N-CA 126.279 1.832 . . . . 0.0 115.333 -174.038 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . 52.63 19.98 1.39 Allowed 'General case' 0 CA--C 1.553 1.078 0 N-CA-C 116.3 1.963 . . . . 0.0 116.3 -168.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.85 8.51 21.63 Favored Glycine 0 CA--C 1.537 1.462 0 C-N-CA 126.675 2.083 . . . . 0.0 115.198 -179.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 31.6 p90 -56.29 -47.2 79.11 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 119.613 1.706 . . . . 0.0 111.31 176.229 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -164.52 3.72 0.03 OUTLIER 'General case' 0 CA--C 1.563 1.452 0 C-N-CA 126.307 1.843 . . . . 0.0 114.352 150.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 26.3 pttm -41.75 144.13 0.44 Allowed 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 118.852 2.908 . . . . 0.0 118.852 -92.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 71.0 m . . . . . 0 C--O 1.257 1.484 0 C-N-CA 127.94 2.496 . . . . 0.0 112.077 175.627 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 29.5 mmtp . . . . . 0 N--CA 1.492 1.639 0 CA-C-O 117.856 -1.069 . . . . 0.01 110.102 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 35.3 p90 -136.55 16.35 3.14 Favored 'General case' 0 CA--C 1.56 1.337 0 C-N-CA 125.669 1.588 . . . . 0.0 113.32 177.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -60.99 116.73 4.72 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 126.462 1.905 . . . . 0.0 114.8 -173.362 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.05 8.22 0.67 Allowed Glycine 0 CA--C 1.547 2.044 0 C-N-CA 124.722 1.153 . . . . 0.0 114.866 154.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -147.27 80.73 1.52 Allowed 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 126.053 1.741 . . . . 0.0 111.656 179.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 56.38 -24.62 0.01 OUTLIER Glycine 0 CA--C 1.54 1.639 1 C-N-CA 131.637 4.446 . . . . 0.0 118.958 179.046 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -57.78 147.0 6.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 C-N-CA 129.628 3.171 . . . . 0.0 114.421 174.429 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 35.7 m80 -127.06 2.7 6.51 Favored 'General case' 0 N--CA 1.486 1.342 0 N-CA-C 114.331 1.234 . . . . 0.0 114.331 157.21 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . 0.554 14.6 p 144.2 -175.23 0.0 OUTLIER 'General case' 0 C--O 1.212 -0.877 1 C-N-CA 134.053 4.941 . . . . 0.0 116.657 165.734 . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 166.27 -157.1 29.42 Favored Glycine 0 C--N 1.34 0.784 2 C-N-CA 133.678 5.418 . . . . 0.0 110.426 10.039 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt -56.53 -5.24 0.19 Allowed 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 116.221 1.934 . . . . 0.0 116.221 171.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 71.7 m-70 -137.63 13.49 2.95 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 125.621 1.569 . . . . 0.0 114.756 -179.158 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 52.9 m 52.74 69.59 0.67 Allowed 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 126.829 2.052 . . . . 0.0 112.191 -172.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.1 m -67.3 -52.91 34.74 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 127.438 2.295 . . . . 0.0 112.026 177.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -144.85 160.26 41.57 Favored 'General case' 0 N--CA 1.499 2.002 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 152.069 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 91.8 t -131.55 96.7 2.66 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.723 0 C-N-CA 124.661 1.184 . . . . 0.0 112.498 -175.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -72.51 -36.34 68.34 Favored 'General case' 0 CA--C 1.56 1.34 0 CA-C-O 121.902 0.858 . . . . 0.0 111.215 152.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 35.6 p-90 -68.88 23.45 0.03 OUTLIER 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 129.716 3.206 . . . . 0.0 116.229 -177.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.37 -24.63 74.97 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 120.019 -1.675 . . . . 0.0 113.849 -176.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 36.0 m -65.15 -35.71 81.97 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 117.451 0.625 . . . . 0.0 111.457 170.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.25 -51.08 67.63 Favored 'General case' 0 C--N 1.344 0.364 0 CA-C-N 119.02 0.827 . . . . 0.0 112.072 174.11 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 8.5 pt -66.96 -24.14 31.96 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 N-CA-C 114.55 1.315 . . . . 0.0 114.55 173.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.72 -57.78 18.01 Favored Glycine 0 CA--C 1.537 1.416 0 C-N-CA 125.526 1.536 . . . . 0.0 111.691 162.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 85.3 m -52.96 -73.45 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 125.228 1.411 . . . . 0.0 112.387 175.06 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 2.1 mp -34.42 -55.63 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.726 0 C-N-CA 127.861 2.464 . . . . 0.0 113.423 169.387 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -73.54 -65.97 2.11 Favored Glycine 0 CA--C 1.537 1.421 0 O-C-N 120.041 -1.662 . . . . 0.0 116.063 -170.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 29.6 m120 -62.61 -42.38 99.54 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 123.978 0.911 . . . . 0.0 110.954 -175.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -79.78 -17.15 54.11 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-O 117.076 -1.44 . . . . 0.0 113.726 177.375 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.31 -59.8 4.2 Favored 'General case' 0 CA--C 1.502 -0.896 0 CA-C-N 121.583 1.992 . . . . 0.0 108.877 157.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.93 -22.5 65.66 Favored 'General case' 0 CA--C 1.561 1.4 0 CA-C-N 120.178 1.354 . . . . 0.0 113.625 -174.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -73.2 -25.67 60.86 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 115.913 1.82 . . . . 0.0 115.913 168.233 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . 0.253 29.2 p30 -115.94 -23.73 8.44 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 116.698 2.11 . . . . 0.0 116.698 -176.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 175.59 -135.24 0.0 OUTLIER 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 128.471 2.708 . . . . 0.0 109.596 -165.144 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -119.19 8.68 11.55 Favored 'General case' 0 CA--C 1.559 1.297 1 C-N-CA 132.857 4.463 . . . . 0.0 110.084 168.631 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 12.8 p 139.51 86.84 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.386 1 C-N-CA 135.088 5.355 . . . . 0.0 112.231 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 115.14 27.38 3.19 Favored Glycine 0 N--CA 1.475 1.262 0 O-C-N 120.282 -1.511 . . . . 0.0 115.28 147.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.65 -15.25 53.5 Favored Glycine 0 N--CA 1.476 1.363 0 CA-C-O 119.215 -0.769 . . . . 0.0 114.345 167.126 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -151.23 157.42 42.58 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 118.002 0.901 . . . . 0.0 112.658 169.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -80.17 9.28 5.81 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 114.911 1.448 . . . . 0.0 114.911 174.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -56.64 -13.64 8.23 Favored Glycine 0 CA--C 1.533 1.173 0 C-N-CA 128.201 2.81 . . . . 0.0 116.62 178.007 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.488 ' CD1' ' C ' ' A' ' 41' ' ' TRP . 0.0 OUTLIER -105.39 -42.59 5.2 Favored 'General case' 0 C--O 1.209 -1.049 0 CA-C-N 118.623 1.211 . . . . 0.0 113.334 150.786 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 46.5 m-80 -53.25 -2.24 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.262 0 N-CA-C 116.983 2.216 . . . . 0.0 116.983 -167.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.5 -65.68 0.39 Allowed 'General case' 0 N--CA 1.483 1.198 0 N-CA-C 115.368 1.618 . . . . 0.0 115.368 139.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 41.0 t . . . . . 0 C--O 1.252 1.197 1 C-N-CA 132.234 4.213 . . . . 0.0 112.178 -175.316 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 76.8 tttt . . . . . 0 N--CA 1.487 1.42 0 N-CA-C 110.565 -0.161 . . . . 0.01 110.565 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 72.2 20.29 4.23 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 126.71 2.004 . . . . 0.0 114.119 175.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 27.0 t80 -56.26 -50.99 69.79 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 126.204 1.802 . . . . 0.0 112.535 176.196 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 63.79 9.84 35.28 Favored Glycine 0 CA--C 1.531 1.052 0 N-CA-C 117.652 1.821 . . . . 0.0 117.652 164.059 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 10.1 m-80 -102.0 13.2 35.44 Favored 'General case' 0 CA--C 1.56 1.347 0 C-N-CA 125.686 1.594 . . . . 0.0 113.119 -178.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 151.62 -15.28 0.82 Allowed Glycine 0 N--CA 1.475 1.276 0 C-N-CA 125.488 1.518 . . . . 0.0 114.587 179.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -136.03 159.98 38.86 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.097 0 C-N-CA 127.918 2.487 . . . . 0.0 112.662 -176.477 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.4 p-80 -138.96 136.92 35.92 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 127.806 2.442 . . . . 0.0 111.456 159.049 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 68.7 m -90.93 70.42 6.43 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 124.871 1.268 . . . . 0.0 110.529 174.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -78.58 -73.95 1.07 Allowed Glycine 0 N--CA 1.47 0.922 0 C-N-CA 126.359 1.933 . . . . 0.0 113.505 -173.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 57.1 mtmt -70.53 1.05 5.59 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 125.529 1.532 . . . . 0.0 112.421 158.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 72.9 4.04 4.86 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 128.299 2.64 . . . . 0.0 115.331 175.284 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 23.7 p -62.34 -16.28 53.37 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.278 1.031 . . . . 0.0 113.577 160.344 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 72.9 m 61.41 81.82 0.18 Allowed 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 127.809 2.444 . . . . 0.0 112.356 177.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 18.4 p -133.88 172.32 12.96 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.101 1.36 . . . . 0.0 113.279 -164.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.458 HG11 ' H ' ' A' ' 19' ' ' GLY . 8.7 t -14.31 112.11 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 130.266 3.426 . . . . 0.0 115.878 -179.452 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -94.11 -24.4 17.57 Favored 'General case' 0 CA--C 1.563 1.443 0 CA-C-N 114.439 -1.255 . . . . 0.0 112.122 119.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 33.2 p-90 -63.34 -19.9 65.03 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 127.905 2.482 . . . . 0.0 116.379 -169.095 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.458 ' H ' HG11 ' A' ' 16' ' ' VAL . . . -52.43 -39.58 52.65 Favored Glycine 0 N--CA 1.475 1.265 0 C-N-CA 125.691 1.615 . . . . 0.0 113.539 -172.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 62.1 m -66.58 -45.53 78.96 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.35 1.46 . . . . 0.0 111.362 178.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.76 -57.36 12.76 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 125.259 1.424 . . . . 0.0 113.077 178.24 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 40.6 mm -65.64 -30.62 50.69 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.696 0 C-N-CA 124.559 1.143 . . . . 0.0 112.285 176.142 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.69 -47.86 78.86 Favored Glycine 0 CA--C 1.527 0.793 0 O-C-N 120.622 -1.299 . . . . 0.0 113.134 174.224 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.439 ' HB3' ' CD1' ' A' ' 41' ' ' TRP . 68.1 m -54.71 -62.56 1.58 Allowed 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 125.547 1.539 . . . . 0.0 111.222 173.346 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 52.7 mt -33.67 -66.3 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 126.817 2.047 . . . . 0.0 112.069 164.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -54.49 -52.24 46.34 Favored Glycine 0 CA--C 1.538 1.52 0 CA-C-N 119.757 1.162 . . . . 0.0 115.08 -171.185 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 45.4 t30 -61.64 -66.14 0.58 Allowed 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 124.174 0.99 . . . . 0.0 113.182 -178.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -79.48 -13.39 59.6 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 120.763 -1.21 . . . . 0.0 113.386 -174.448 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.91 -46.49 84.58 Favored 'General case' 0 C--N 1.347 0.463 0 CA-C-N 121.309 1.868 . . . . 0.0 112.675 160.429 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.3 -24.68 66.59 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 120.925 1.693 . . . . 0.0 113.068 179.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.36 -49.25 67.54 Favored 'General case' 0 CA--C 1.555 1.136 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 163.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -67.22 -50.99 58.65 Favored 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 126.175 1.79 . . . . 0.0 114.321 -177.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 172.92 -122.3 0.0 OUTLIER 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 127.747 2.419 . . . . 0.0 110.095 -137.705 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -145.13 -34.15 0.35 Allowed 'General case' 0 CA--C 1.547 0.85 1 C-N-CA 133.052 4.541 . . . . 0.0 110.325 -175.233 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -159.93 94.91 1.15 Allowed 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 128.673 2.789 . . . . 0.0 111.65 152.772 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 99.25 36.56 4.36 Favored Glycine 0 N--CA 1.47 0.955 0 C-N-CA 118.709 -1.71 . . . . 0.0 115.149 143.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -54.27 -17.66 8.37 Favored Glycine 0 CA--C 1.545 1.968 0 CA-C-N 118.053 0.926 . . . . 0.0 112.775 159.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 59.9 t30 -150.96 166.33 30.99 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.988 1.315 . . . . 0.0 113.28 167.02 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -76.88 20.3 0.25 Allowed 'General case' 0 CA--C 1.558 1.252 0 C-N-CA 127.399 2.28 . . . . 0.0 113.428 170.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -53.31 -32.25 43.96 Favored Glycine 0 CA--C 1.523 0.574 0 C-N-CA 127.194 2.33 . . . . 0.0 114.764 -178.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.475 ' CD1' ' C ' ' A' ' 41' ' ' TRP . 0.1 OUTLIER -97.62 -38.19 9.63 Favored 'General case' 0 C--O 1.217 -0.651 0 CA-C-O 117.603 -1.189 . . . . 0.0 112.661 156.228 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . 0.252 1.1 t-20 -57.14 2.25 0.03 OUTLIER 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 116.735 2.124 . . . . 0.0 116.735 -163.42 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.53 -45.09 2.2 Favored 'General case' 0 CA--C 1.551 0.982 0 N-CA-C 116.929 2.196 . . . . 0.0 116.929 141.24 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 65.5 m . . . . . 0 C--O 1.251 1.15 0 C-N-CA 125.099 1.359 . . . . 0.0 112.832 -175.032 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . 0.255 30.4 mmtt . . . . . 0 N--CA 1.49 1.574 0 CA-C-O 118.544 -0.741 . . . . 0.01 111.402 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -65.27 -24.59 67.35 Favored 'General case' 0 N--CA 1.484 1.265 0 CA-C-N 120.644 1.565 . . . . 0.0 114.051 -158.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 6.8 p90 -66.98 -20.74 65.94 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 127.714 2.406 . . . . 0.0 115.36 173.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 106.56 -150.33 16.79 Favored Glycine 0 CA--C 1.539 1.579 0 C-N-CA 124.641 1.115 . . . . 0.0 113.172 -166.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -80.03 -22.02 42.86 Favored 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 114.964 1.468 . . . . 0.0 114.964 -179.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -80.26 -161.86 25.17 Favored Glycine 0 CA--C 1.525 0.681 0 C-N-CA 126.679 2.085 . . . . 0.0 115.824 -173.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.748 ' CG1' ' H ' ' A' ' 8' ' ' HIS 0.481 2.9 p 49.6 -95.96 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 N-CA-C 119.361 3.097 . . . . 0.0 119.361 167.859 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.748 ' H ' ' CG1' ' A' ' 7' ' ' VAL . 2.1 m-70 97.07 99.11 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.888 1 C-N-CA 135.933 5.693 . . . . 0.0 109.55 -173.607 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 88.8 m -45.1 123.48 3.95 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 124.424 1.09 . . . . 0.0 110.278 179.641 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -105.95 3.34 38.48 Favored Glycine 0 N--CA 1.481 1.673 0 CA-C-N 119.74 1.155 . . . . 0.0 115.842 -160.009 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp 61.46 -26.33 0.05 OUTLIER 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 128.286 2.634 . . . . 0.0 115.627 -162.197 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -39.49 -53.12 2.1 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 128.765 2.826 . . . . 0.0 113.139 150.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 68.0 p 172.47 -169.67 0.03 OUTLIER 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 130.182 3.393 . . . . 0.0 107.003 -164.136 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 24.6 t -152.97 159.44 42.94 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 123.509 0.724 . . . . 0.0 109.364 166.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -142.86 -133.81 0.09 Allowed 'General case' 0 N--CA 1.493 1.689 0 C-N-CA 120.72 -0.392 . . . . 0.0 112.004 -177.269 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.4 p -146.19 -1.19 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.247 0 C-N-CA 127.22 2.208 . . . . 0.0 114.294 175.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.7 t70 102.34 -18.23 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.237 1 C-N-CA 132.971 4.509 . . . . 0.0 110.687 -177.281 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 14.4 p-90 -154.04 7.92 0.34 Allowed 'General case' 0 CA--C 1.554 1.135 0 N-CA-C 116.904 2.187 . . . . 0.0 116.904 -165.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -70.86 -40.04 64.28 Favored Glycine 0 CA--C 1.532 1.141 0 O-C-N 119.987 -1.696 . . . . 0.0 109.801 175.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.1 p -66.58 -31.89 72.88 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 125.414 1.486 . . . . 0.0 112.891 167.36 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.51 -51.21 70.41 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 125.052 1.341 . . . . 0.0 110.745 172.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 18.5 mm -62.25 -39.36 83.81 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.899 0 C-N-CA 123.729 0.812 . . . . 0.0 111.677 172.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.91 -46.91 91.89 Favored Glycine 0 CA--C 1.535 1.284 0 C-N-CA 123.824 0.726 . . . . 0.0 113.294 175.194 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 7.0 t -55.74 -74.08 0.05 OUTLIER 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 126.639 1.976 . . . . 0.0 111.07 169.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.7 mp -46.93 -40.37 4.94 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 C-N-CA 125.043 1.337 . . . . 0.0 112.595 -179.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -66.86 -53.9 24.7 Favored Glycine 0 CA--C 1.539 1.583 0 CA-C-N 121.795 2.088 . . . . 0.0 114.577 177.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -63.9 -44.07 94.11 Favored 'General case' 0 CA--C 1.54 0.563 0 O-C-N 121.207 -1.173 . . . . 0.0 111.517 178.058 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 27.2 m120 -67.24 -34.91 78.45 Favored 'General case' 0 CA--C 1.549 0.911 0 CA-C-O 118.06 -0.972 . . . . 0.0 113.135 176.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -51.37 -60.3 3.28 Favored 'General case' 0 C--O 1.216 -0.691 0 CA-C-N 120.246 1.385 . . . . 0.0 109.822 168.326 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.76 -21.86 66.62 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 120.399 1.454 . . . . 0.0 113.982 -177.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.21 -23.17 62.89 Favored 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 114.66 1.356 . . . . 0.0 114.66 169.167 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 9.9 p30 -107.31 -26.61 10.94 Favored 'General case' 0 C--O 1.24 0.593 0 N-CA-C 116.187 1.921 . . . . 0.0 116.187 176.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . 0.446 ' CG ' ' N ' ' A' ' 34' ' ' ALA . 2.0 t-105 146.04 -101.61 0.0 OUTLIER 'General case' 0 CA--C 1.565 1.519 0 C-N-CA 130.368 3.467 . . . . 0.0 111.068 -156.535 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.446 ' N ' ' CG ' ' A' ' 33' ' ' TRP . . . -154.84 43.49 0.49 Allowed 'General case' 0 CA--C 1.563 1.445 0 C-N-CA 130.742 3.617 . . . . 0.0 107.365 -172.113 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . 0.356 6.5 t 56.09 79.86 0.16 Allowed 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 129.032 2.933 . . . . 0.0 112.055 -163.363 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -179.86 -15.47 0.03 OUTLIER Glycine 0 N--CA 1.472 1.048 0 CA-C-O 118.208 -1.329 . . . . 0.0 115.953 170.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -53.62 -56.31 20.81 Favored Glycine 0 CA--C 1.539 1.57 0 CA-C-N 119.832 1.816 . . . . 0.0 113.21 172.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.6 p-10 -164.29 145.68 8.48 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 127.111 2.164 . . . . 0.0 111.667 176.419 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.415 ' C ' ' H ' ' A' ' 41' ' ' TRP . . . -82.72 -17.21 45.14 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 125.46 1.504 . . . . 0.0 113.459 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -59.88 8.62 0.05 OUTLIER Glycine 0 CA--C 1.536 1.347 0 C-N-CA 126.873 2.178 . . . . 0.0 115.72 173.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.415 ' H ' ' C ' ' A' ' 39' ' ' ALA . 1.7 p90 -48.21 -41.46 27.33 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 127.76 2.424 . . . . 0.0 113.177 168.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 147.49 8.26 0.0 OUTLIER 'General case' 0 CA--C 1.557 1.217 1 C-N-CA 135.46 5.504 . . . . 0.0 113.651 -174.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 19.9 ptmt 1.28 82.38 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 129.745 3.218 . . . . 0.0 115.315 -174.182 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 8.9 p . . . . . 0 C--O 1.257 1.473 0 CA-C-N 113.632 -1.622 . . . . 0.0 113.937 -162.32 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 76.4 tttt . . . . . 0 N--CA 1.494 1.741 0 CA-C-O 118.789 -0.624 . . . . 0.01 111.621 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 46.0 p90 -130.79 21.73 5.01 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 114.798 1.407 . . . . 0.0 114.798 -175.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 71.1 t80 -34.77 114.6 0.23 Allowed 'General case' 0 C--N 1.354 0.802 0 N-CA-C 116.892 2.182 . . . . 0.0 116.892 -174.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.23 -75.47 1.3 Allowed Glycine 0 C--N 1.334 0.47 0 C-N-CA 127.003 2.239 . . . . 0.0 112.902 164.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -141.07 -6.79 1.07 Allowed 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 127.324 2.25 . . . . 0.0 113.837 175.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -135.18 -26.62 0.49 Allowed Glycine 0 N--CA 1.471 0.979 0 N-CA-C 116.965 1.546 . . . . 0.0 116.965 -162.026 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -64.97 157.63 5.02 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 CA-C-N 120.201 2.0 . . . . 0.0 112.514 -179.095 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -156.89 89.11 1.07 Allowed 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 127.865 2.466 . . . . 0.0 107.76 158.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 15.4 t -142.99 158.34 43.69 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.959 1.304 . . . . 0.0 112.142 -177.511 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -94.43 -110.51 2.26 Favored Glycine 0 N--CA 1.471 1.011 0 C-N-CA 126.223 1.868 . . . . 0.0 112.764 -178.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -106.1 -4.7 20.08 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 125.144 1.378 . . . . 0.0 111.998 175.053 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 5.5 t-80 -116.13 -124.69 0.29 Allowed 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.664 1.186 . . . . 0.0 112.257 -161.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 38.5 m -137.26 81.99 1.9 Allowed 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 126.834 2.054 . . . . 0.0 109.928 -165.408 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -128.32 -66.39 0.85 Allowed 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.19 1.396 . . . . 0.0 112.582 -166.736 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.431 ' HB ' ' HA ' ' A' ' 16' ' ' VAL 0.272 42.6 p 54.04 -174.78 0.04 OUTLIER 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 129.311 3.044 . . . . 0.0 116.817 155.9 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.431 ' HA ' ' HB ' ' A' ' 15' ' ' THR . 8.0 p -140.42 128.82 25.18 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 2 C-N-CA 137.557 6.343 . . . . 0.0 111.313 4.265 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -62.73 -46.01 90.07 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 127.72 2.408 . . . . 0.0 114.275 177.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 34.1 p-90 -83.31 9.5 10.73 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 128.138 2.575 . . . . 0.0 114.262 178.04 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -60.16 -19.56 52.05 Favored Glycine 0 CA--C 1.529 0.939 0 C-N-CA 123.499 0.571 . . . . 0.0 114.337 173.191 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 29.2 p -60.79 -44.93 96.19 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 118.69 1.245 . . . . 0.0 113.339 168.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.94 -53.81 18.83 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 124.893 1.277 . . . . 0.0 112.191 177.094 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 21.8 pt -68.86 -17.22 21.79 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 N-CA-C 114.329 1.233 . . . . 0.0 114.329 176.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -82.7 -37.87 12.95 Favored Glycine 0 C--N 1.342 0.873 0 C-N-CA 125.05 1.31 . . . . 0.0 113.6 170.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 53.3 t -54.08 -52.16 61.84 Favored 'General case' 0 C--O 1.246 0.92 0 C-N-CA 125.162 1.385 . . . . 0.0 110.373 165.048 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.3 mp -53.06 -56.64 6.98 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.785 0 C-N-CA 123.629 0.771 . . . . 0.0 111.629 166.13 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.23 -44.47 84.19 Favored Glycine 0 CA--C 1.531 1.075 0 C-N-CA 125.381 1.467 . . . . 0.0 113.628 -169.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 50.3 m-80 -64.7 -55.61 18.94 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 112.767 0.655 . . . . 0.0 112.767 173.574 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 69.8 m-80 -74.12 -26.58 60.42 Favored 'General case' 0 CA--C 1.551 1.014 0 N-CA-C 114.539 1.311 . . . . 0.0 114.539 -172.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.61 -72.67 0.07 Allowed 'General case' 0 C--O 1.206 -1.207 0 CA-C-O 116.598 -1.668 . . . . 0.0 109.548 158.277 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.92 -9.27 28.03 Favored 'General case' 0 CA--C 1.553 1.072 0 CA-C-N 123.637 2.926 . . . . 0.0 115.656 -167.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.91 -61.08 2.65 Favored 'General case' 0 CA--C 1.547 0.845 0 O-C-N 120.406 -1.433 . . . . 0.0 112.915 154.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -153.28 94.08 1.78 Allowed 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 126.421 1.888 . . . . 0.0 110.619 170.678 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -153.35 -55.46 0.12 Allowed 'General case' 0 CA--C 1.554 1.128 0 C-N-CA 130.678 3.591 . . . . 0.0 108.653 2.793 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -143.96 68.78 1.27 Allowed 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 128.695 2.798 . . . . 0.0 107.607 169.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 41.6 p 44.33 44.4 6.71 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 126.371 1.868 . . . . 0.0 114.341 -164.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -158.96 -10.37 0.05 OUTLIER Glycine 0 N--CA 1.476 1.353 0 N-CA-C 118.791 2.276 . . . . 0.0 118.791 -175.499 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -73.06 -29.08 65.28 Favored Glycine 0 CA--C 1.532 1.119 0 CA-C-N 119.762 1.781 . . . . 0.0 114.542 177.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -144.05 -48.62 0.28 Allowed 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 115.684 1.735 . . . . 0.0 115.684 178.297 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . 58.9 -26.36 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 129.233 3.013 . . . . 0.0 116.96 -172.321 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -67.25 11.03 0.79 Allowed Glycine 0 CA--C 1.54 1.598 0 C-N-CA 126.151 1.834 . . . . 0.0 114.099 170.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 2.2 p90 -57.84 -54.81 42.74 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 126.953 2.101 . . . . 0.0 109.405 178.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 21.5 p30 -162.77 0.18 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 128.85 2.86 . . . . 0.0 113.779 163.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 25.2 pttm -27.81 138.95 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.289 0 N-CA-C 118.864 2.913 . . . . 0.0 118.864 -114.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.3 m . . . . . 0 C--O 1.257 1.448 0 CA-C-N 114.148 -1.387 . . . . 0.0 113.976 -157.684 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt . . . . . 0 N--CA 1.496 1.846 0 CA-C-O 119.257 -0.401 . . . . 0.01 111.497 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 55.2 m-85 85.46 95.06 0.03 OUTLIER 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 128.618 2.767 . . . . 0.0 111.924 171.164 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -135.21 -69.06 0.51 Allowed 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 125.851 1.661 . . . . 0.0 111.327 -175.504 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.72 12.66 83.98 Favored Glycine 0 N--CA 1.474 1.213 0 N-CA-C 117.44 1.736 . . . . 0.0 117.44 163.068 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -116.31 17.23 15.67 Favored 'General case' 0 CA--C 1.555 1.152 0 C-N-CA 125.88 1.672 . . . . 0.0 112.008 175.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 141.53 -155.61 25.35 Favored Glycine 0 CA--C 1.534 1.243 0 C-N-CA 127.266 2.365 . . . . 0.0 109.841 -161.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -20.84 136.2 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 C-N-CA 130.382 3.473 . . . . 0.0 117.336 176.507 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 49.4 m80 -114.99 152.98 31.47 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 125.429 1.491 . . . . 0.0 110.984 175.283 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 8.6 t -142.19 140.6 32.41 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 126.646 1.978 . . . . 0.0 111.419 -177.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -86.46 -104.31 0.78 Allowed Glycine 0 C--N 1.343 0.937 0 N-CA-C 109.095 -1.602 . . . . 0.0 109.095 167.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -115.93 -0.22 12.88 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.687 1.595 . . . . 0.0 113.279 167.078 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 18.3 t-80 -102.35 -82.91 0.47 Allowed 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 114.724 1.379 . . . . 0.0 114.724 -155.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.6 m -129.97 -7.85 4.42 Favored 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 116.067 1.877 . . . . 0.0 116.067 -166.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 36.8 m 54.28 92.68 0.02 OUTLIER 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 128.149 2.58 . . . . 0.0 113.622 177.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 16.7 p -121.64 -55.78 1.9 Allowed 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 115.478 1.658 . . . . 0.0 115.478 -148.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.408 HG11 ' H ' ' A' ' 19' ' ' GLY . 2.1 t -135.13 130.2 51.32 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 N-CA-C 113.85 1.055 . . . . 0.0 113.85 -152.195 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -128.09 -27.46 2.73 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-N 114.824 -1.08 . . . . 0.0 110.51 143.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 64.3 p-90 -53.47 -6.28 0.07 Allowed 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 129.975 3.31 . . . . 0.0 116.284 167.457 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.408 ' H ' HG11 ' A' ' 16' ' ' VAL . . . -52.03 -30.49 30.66 Favored Glycine 0 N--CA 1.473 1.117 0 C-N-CA 125.577 1.561 . . . . 0.0 113.648 162.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 36.3 p -59.29 -42.74 92.02 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 126.573 1.949 . . . . 0.0 112.42 170.057 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.08 -42.86 93.69 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.89 0.876 . . . . 0.0 112.345 175.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.0 mt -57.88 -49.52 80.81 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 122.987 0.515 . . . . 0.0 110.942 172.033 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.88 -40.43 98.84 Favored Glycine 0 N--CA 1.472 1.036 0 C-N-CA 123.826 0.727 . . . . 0.0 113.001 179.317 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 27.9 t -60.33 -52.37 65.56 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.219 1.408 . . . . 0.0 112.387 175.246 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.4 mp -52.68 -48.03 49.26 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 C-N-CA 125.204 1.402 . . . . 0.0 112.542 166.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -68.18 -41.31 86.85 Favored Glycine 0 CA--C 1.527 0.821 0 CA-C-N 119.64 1.109 . . . . 0.0 115.568 -173.054 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 19.6 t30 -59.92 -53.22 60.43 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.488 1.115 . . . . 0.0 110.622 173.034 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 67.4 m-80 -73.23 -23.75 60.4 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 114.382 1.253 . . . . 0.0 114.382 -178.121 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.21 -55.59 32.76 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 117.823 -1.084 . . . . 0.0 109.98 164.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.55 -26.17 68.3 Favored 'General case' 0 CA--C 1.561 1.387 0 CA-C-N 120.575 1.534 . . . . 0.0 113.349 -178.225 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.07 -45.81 79.97 Favored 'General case' 0 CA--C 1.547 0.849 0 O-C-N 121.248 -0.907 . . . . 0.0 113.356 167.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.68 -54.06 37.59 Favored 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 125.613 1.565 . . . . 0.0 114.487 175.159 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 157.86 -118.05 0.0 OUTLIER 'General case' 0 CA--C 1.564 1.5 0 C-N-CA 128.196 2.598 . . . . 0.0 110.231 -129.594 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -146.22 9.87 1.12 Allowed 'General case' 0 CA--C 1.56 1.361 1 C-N-CA 132.053 4.141 . . . . 0.0 111.205 -179.023 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 22.0 p 118.84 100.49 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.787 1 C-N-CA 134.691 5.197 . . . . 0.0 110.218 -171.188 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 139.76 -16.29 3.07 Favored Glycine 0 N--CA 1.482 1.757 0 N-CA-C 116.312 1.285 . . . . 0.0 116.312 160.09 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -51.63 -39.63 46.33 Favored Glycine 0 CA--C 1.542 1.777 0 CA-C-N 120.139 1.97 . . . . 0.0 114.262 178.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -156.19 98.49 1.87 Allowed 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 125.907 1.683 . . . . 0.0 110.576 169.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.97 -19.67 63.04 Favored 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 174.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -58.74 6.62 0.04 OUTLIER Glycine 0 CA--C 1.551 2.32 0 C-N-CA 126.698 2.094 . . . . 0.0 114.786 164.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 1.5 p90 -50.61 -43.25 56.76 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 126.487 1.915 . . . . 0.0 112.642 172.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 149.66 25.34 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.969 1 C-N-CA 133.835 4.854 . . . . 0.0 111.461 -179.425 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 63.0 pttt -24.34 108.21 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 128.273 2.629 . . . . 0.0 116.392 -162.452 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 3.9 m . . . . . 0 C--O 1.252 1.2 0 CA-C-N 113.955 -1.475 . . . . 0.0 114.132 -151.667 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 9.4 ptpp? . . . . . 0 N--CA 1.483 1.219 0 N-CA-C 112.263 0.468 . . . . 0.01 112.263 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 72.84 14.06 4.97 Favored 'General case' 0 N--CA 1.492 1.641 0 C-N-CA 128.181 2.592 . . . . 0.0 115.42 178.233 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -62.76 -50.32 71.5 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 126.083 1.753 . . . . 0.0 110.943 172.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 56.27 85.42 0.03 OUTLIER Glycine 0 C--N 1.347 1.148 0 C-N-CA 127.035 2.255 . . . . 0.0 117.737 164.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -118.29 -77.95 0.58 Allowed 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.591 1.156 . . . . 0.0 109.473 164.041 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -119.03 -45.01 0.47 Allowed Glycine 0 N--CA 1.475 1.262 0 C-N-CA 125.99 1.757 . . . . 0.0 109.943 157.437 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -62.62 163.51 1.46 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.674 0 C-N-CA 127.876 2.47 . . . . 0.0 115.008 165.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 43.8 m-70 33.57 77.64 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 130.868 3.667 . . . . 0.0 114.581 167.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.43 ' HB2' ' H ' ' A' ' 15' ' ' THR . 1.2 m -102.35 -86.2 0.43 Allowed 'General case' 0 C--N 1.347 0.482 0 C-N-CA 123.311 0.644 . . . . 0.0 112.049 172.307 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 133.59 -140.66 11.99 Favored Glycine 0 CA--C 1.533 1.206 0 C-N-CA 125.552 1.549 . . . . 0.0 110.949 -164.073 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -57.75 -21.11 39.51 Favored 'General case' 0 N--CA 1.483 1.186 0 N-CA-C 114.251 1.204 . . . . 0.0 114.251 174.236 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -65.98 -9.74 32.91 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 116.38 1.993 . . . . 0.0 116.38 172.278 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.8 m 76.69 5.52 3.44 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 127.994 2.518 . . . . 0.0 116.997 168.014 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -66.12 -87.0 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 119.701 1.137 . . . . 0.0 110.8 172.783 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.43 ' H ' ' HB2' ' A' ' 9' ' ' CYS . 9.1 m 61.01 -60.25 0.08 Allowed 'General case' 0 N--CA 1.485 1.316 0 N-CA-C 116.678 2.103 . . . . 0.0 116.678 166.213 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 47.9 t -119.95 83.16 0.76 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 C-N-CA 126.609 1.963 . . . . 0.0 112.495 -175.309 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -74.51 -27.76 60.68 Favored 'General case' 0 CA--C 1.554 1.128 0 CA-C-N 115.122 -0.945 . . . . 0.0 111.455 141.022 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 45.1 p-90 -76.85 11.33 1.77 Allowed 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 115.286 1.587 . . . . 0.0 115.286 -171.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.47 -22.8 75.12 Favored Glycine 0 CA--C 1.543 1.84 0 O-C-N 119.603 -1.936 . . . . 0.0 111.922 173.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 13.4 m -66.01 -32.02 73.25 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 121.391 -1.064 . . . . 0.0 112.373 165.677 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.77 -41.24 92.3 Favored 'General case' 0 CA--C 1.535 0.375 0 O-C-N 120.142 -1.599 . . . . 0.0 111.802 171.131 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 6.9 mm -59.61 -44.07 92.53 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 O-C-N 120.855 -1.153 . . . . 0.0 112.436 170.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.92 -46.6 93.24 Favored Glycine 0 CA--C 1.533 1.174 0 C-N-CA 123.591 0.615 . . . . 0.0 111.672 177.172 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 50.1 t -54.46 -64.84 0.7 Allowed 'General case' 0 CA--C 1.554 1.106 0 C-N-CA 126.996 2.118 . . . . 0.0 112.232 174.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.7 mp -53.74 -48.76 60.48 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.108 0 C-N-CA 124.538 1.135 . . . . 0.0 111.468 175.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.79 -51.15 57.09 Favored Glycine 0 CA--C 1.535 1.335 0 C-N-CA 124.623 1.106 . . . . 0.0 112.518 -173.022 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -66.62 -53.2 36.76 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 123.398 0.679 . . . . 0.0 111.997 177.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 68.5 m-80 -72.64 -38.95 67.55 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 121.049 -1.032 . . . . 0.0 112.589 -170.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.98 -37.58 88.12 Favored 'General case' 0 C--O 1.214 -0.794 0 O-C-N 120.135 -1.603 . . . . 0.0 112.258 169.165 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.0 -24.0 66.77 Favored 'General case' 0 CA--C 1.553 1.091 0 CA-C-N 121.551 1.978 . . . . 0.0 112.805 175.166 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.83 -21.94 50.72 Favored 'General case' 0 CA--C 1.557 1.212 0 N-CA-C 114.713 1.375 . . . . 0.0 114.713 165.362 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 54.6 m-80 -110.03 -4.95 15.57 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 117.154 2.279 . . . . 0.0 117.154 -176.207 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 147.26 -106.33 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.239 1 C-N-CA 132.193 4.197 . . . . 0.0 109.853 -162.746 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -165.0 -33.99 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.43 1 C-N-CA 132.239 4.216 . . . . 0.0 109.55 -173.738 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 17.6 p -139.85 65.28 1.43 Allowed 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 126.4 1.88 . . . . 0.0 112.1 151.281 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 76.87 84.33 0.47 Allowed Glycine 0 CA--C 1.54 1.624 0 CA-C-O 122.684 1.158 . . . . 0.0 115.487 153.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -58.06 -9.16 5.34 Favored Glycine 0 CA--C 1.547 2.042 0 CA-C-N 114.421 -0.889 . . . . 0.0 113.128 142.566 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -155.02 170.53 21.57 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 126.314 1.846 . . . . 0.0 109.592 170.108 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -132.49 -7.65 3.28 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.231 1.412 . . . . 0.0 114.094 176.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -72.64 14.07 2.73 Favored Glycine 0 CA--C 1.53 1.013 0 C-N-CA 126.405 1.955 . . . . 0.0 116.235 -179.358 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 19.4 p90 -49.91 -62.2 1.7 Allowed 'General case' 0 C--N 1.343 0.319 0 C-N-CA 126.297 1.839 . . . . 0.0 111.016 175.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -152.51 12.29 0.53 Allowed 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 128.314 2.645 . . . . 0.0 111.501 154.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt 46.77 173.13 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 125.9 1.68 . . . . 0.0 114.123 -141.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 58.1 m . . . . . 0 C--O 1.253 1.272 0 CA-C-O 118.089 -0.958 . . . . 0.0 111.055 125.047 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 9.8 tptp . . . . . 0 N--CA 1.494 1.728 0 CA-C-O 119.39 -0.338 . . . . 0.01 110.636 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -134.76 8.75 3.57 Favored 'General case' 0 CA--C 1.554 1.105 0 C-N-CA 125.949 1.7 . . . . 0.0 114.377 -168.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -75.04 -7.38 53.53 Favored 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 117.29 2.33 . . . . 0.0 117.29 -172.296 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 84.38 100.82 0.61 Allowed Glycine 0 CA--C 1.54 1.596 0 C-N-CA 124.957 1.265 . . . . 0.0 110.406 -169.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -63.39 10.57 0.04 OUTLIER 'General case' 0 N--CA 1.485 1.282 0 N-CA-C 118.465 2.765 . . . . 0.0 118.465 -160.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -74.92 -44.05 25.54 Favored Glycine 0 CA--C 1.539 1.578 0 CA-C-N 120.005 1.275 . . . . 0.0 111.541 161.034 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.0 t -68.06 152.28 9.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 C-N-CA 126.428 1.891 . . . . 0.0 110.989 157.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 4.1 m80 -140.35 106.63 5.26 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 124.342 1.057 . . . . 0.0 109.627 165.527 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 72.9 m -81.35 164.65 21.99 Favored 'General case' 0 CA--C 1.551 0.991 0 O-C-N 121.312 -0.868 . . . . 0.0 110.371 164.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.421 ' C ' ' H ' ' A' ' 12' ' ' HIS . . . 164.5 -160.82 33.97 Favored Glycine 0 N--CA 1.479 1.51 0 C-N-CA 124.298 0.951 . . . . 0.0 110.991 -173.244 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -72.01 40.97 0.08 Allowed 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 125.854 1.662 . . . . 0.0 112.047 167.169 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.421 ' H ' ' C ' ' A' ' 10' ' ' GLY . 98.2 m-70 -131.32 -118.2 0.22 Allowed 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 127.572 2.349 . . . . 0.0 110.476 178.406 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 27.9 m -137.97 1.75 2.3 Favored 'General case' 0 CA--C 1.558 1.276 0 N-CA-C 114.527 1.306 . . . . 0.0 114.527 -168.395 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 92.4 m 62.95 86.71 0.11 Allowed 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 125.711 1.604 . . . . 0.0 109.556 -159.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 72.6 p -71.5 170.86 12.43 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 125.014 1.326 . . . . 0.0 112.046 -176.046 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 37.7 t -99.71 115.51 40.83 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 N-CA-C 115.362 1.616 . . . . 0.0 115.362 -156.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -99.8 -24.04 14.8 Favored 'General case' 0 CA--C 1.552 1.041 0 CA-C-N 114.123 -1.399 . . . . 0.0 112.689 118.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 55.7 p-90 -59.83 -43.6 94.5 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 124.543 1.137 . . . . 0.0 113.606 -174.202 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -73.07 -16.27 78.5 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 114.823 0.689 . . . . 0.0 114.823 178.517 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 23.0 m -73.8 -41.31 62.53 Favored 'General case' 0 N--CA 1.476 0.843 0 O-C-N 121.025 -1.279 . . . . 0.0 111.074 167.352 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.64 -54.63 44.17 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.184 0.994 . . . . 0.0 111.868 174.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 7.5 pt -68.59 -25.85 31.86 Favored 'Isoleucine or valine' 0 C--N 1.348 0.513 0 CA-C-N 119.12 0.873 . . . . 0.0 112.738 174.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.18 -50.61 65.94 Favored Glycine 0 CA--C 1.547 2.085 0 C-N-CA 124.502 1.049 . . . . 0.0 111.567 171.219 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 70.9 m -56.48 -70.2 0.13 Allowed 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.864 0.865 . . . . 0.0 111.281 171.102 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.7 mp -52.04 -42.41 34.56 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 C-N-CA 124.615 1.166 . . . . 0.0 111.407 -173.326 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.3 -58.66 13.27 Favored Glycine 0 CA--C 1.538 1.524 0 O-C-N 120.963 -1.085 . . . . 0.0 114.052 177.39 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 36.2 t30 -64.61 -51.73 61.15 Favored 'General case' 0 C--O 1.241 0.64 0 C-N-CA 123.567 0.747 . . . . 0.0 112.641 178.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -63.89 -40.8 97.36 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.432 1.093 . . . . 0.0 111.661 -177.348 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.83 -38.71 83.56 Favored 'General case' 0 C--O 1.217 -0.616 0 O-C-N 120.421 -1.424 . . . . 0.0 113.051 171.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.6 -24.52 66.74 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 120.167 1.349 . . . . 0.0 112.883 178.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -74.85 -40.72 60.85 Favored 'General case' 0 CA--C 1.552 1.039 0 N-CA-C 114.293 1.219 . . . . 0.0 114.293 166.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 34.2 m-80 -74.01 -42.3 60.56 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 125.386 1.475 . . . . 0.0 114.231 -179.349 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 170.8 -113.43 0.0 OUTLIER 'General case' 0 CA--C 1.557 1.247 0 C-N-CA 127.989 2.516 . . . . 0.0 108.783 -147.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -154.19 -39.04 0.09 Allowed 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 131.575 3.95 . . . . 0.0 109.28 -171.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 16.7 p -146.18 81.55 1.59 Allowed 'General case' 0 C--N 1.349 0.587 0 C-N-CA 127.595 2.358 . . . . 0.0 111.825 150.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 79.79 71.43 1.26 Allowed Glycine 0 C--N 1.346 1.101 0 C-N-CA 118.83 -1.652 . . . . 0.0 114.16 148.213 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -58.84 -6.54 3.81 Favored Glycine 0 CA--C 1.552 2.368 0 CA-C-O 119.734 -0.481 . . . . 0.0 113.137 146.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -150.31 178.8 8.67 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 125.287 1.435 . . . . 0.0 111.365 164.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -130.63 -20.26 2.92 Favored 'General case' 0 CA--C 1.559 1.298 0 C-N-CA 125.872 1.669 . . . . 0.0 113.573 170.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -66.98 20.66 0.21 Allowed Glycine 0 CA--C 1.538 1.504 0 O-C-N 120.059 -1.651 . . . . 0.0 115.201 169.303 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 6.1 p90 -55.41 -45.53 76.71 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.657 1.583 . . . . 0.0 112.01 167.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 153.13 20.28 0.0 OUTLIER 'General case' 0 CA--C 1.555 1.159 1 C-N-CA 133.855 4.862 . . . . 0.0 111.794 -175.649 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 20.7 pttp -15.05 94.5 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.949 0 C-N-CA 127.639 2.376 . . . . 0.0 116.443 -172.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 68.1 m . . . . . 0 C--O 1.258 1.537 0 CA-C-O 117.8 -1.095 . . . . 0.0 113.357 -162.471 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 121.479 0.657 . . . . 0.01 112.703 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 -132.66 14.24 4.43 Favored 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 115.076 1.51 . . . . 0.0 115.076 -172.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 29.0 t80 -47.36 -55.94 7.86 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 127.841 2.456 . . . . 0.0 114.552 -176.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.455 ' C ' ' H ' ' A' ' 6' ' ' GLY . . . 146.72 171.99 16.56 Favored Glycine 0 CA--C 1.538 1.514 0 C-N-CA 125.802 1.668 . . . . 0.0 113.056 -176.792 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 59.84 -22.91 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 129.5 3.12 . . . . 0.0 116.115 -174.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.455 ' H ' ' C ' ' A' ' 4' ' ' GLY . . . 113.77 1.55 24.2 Favored Glycine 0 CA--C 1.532 1.141 0 C-N-CA 127.923 2.677 . . . . 0.0 112.725 -171.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -61.86 148.24 10.27 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 CA-C-N 118.982 1.391 . . . . 0.0 111.371 173.158 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.3 p-80 -141.42 108.69 5.52 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 125.479 1.512 . . . . 0.0 111.982 -175.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 57.2 m -77.22 164.89 25.2 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.055 0.942 . . . . 0.0 112.123 168.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -154.17 16.58 0.6 Allowed Glycine 0 CA--C 1.528 0.856 0 C-N-CA 125.549 1.547 . . . . 0.0 115.486 -169.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 30.5 mtpp 52.2 27.13 4.4 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 126.283 1.833 . . . . 0.0 114.792 -167.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 38.0 m-70 -116.33 -87.7 0.6 Allowed 'General case' 0 C--O 1.235 0.311 0 C-N-CA 125.616 1.566 . . . . 0.0 111.487 172.127 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 49.7 m -133.08 -12.26 2.86 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 125.657 1.583 . . . . 0.0 114.013 -178.146 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 8.4 m 65.66 158.97 0.11 Allowed 'General case' 0 C--O 1.24 0.566 0 C-N-CA 128.002 2.521 . . . . 0.0 112.717 -170.255 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.2 m -142.92 147.91 36.05 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.781 1.232 . . . . 0.0 110.166 -169.603 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -81.81 161.27 3.69 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 125.362 1.465 . . . . 0.0 112.755 -175.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -71.6 -33.23 68.84 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 128.488 2.715 . . . . 0.0 112.24 163.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . 0.287 7.8 m95 101.18 -54.33 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.371 1 C-N-CA 132.494 4.317 . . . . 0.0 117.066 165.621 . . . . . . . . 3 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -63.37 -25.62 68.69 Favored Glycine 0 CA--C 1.541 1.694 0 CA-C-N 120.127 1.331 . . . . 0.0 113.722 -167.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 22.8 m -60.5 -39.64 88.45 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.339 1.056 . . . . 0.0 113.47 168.468 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.59 -41.34 84.26 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 119.36 0.982 . . . . 0.0 111.463 176.276 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 5.0 mt -60.81 -43.55 95.66 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 124.165 0.986 . . . . 0.0 111.356 173.52 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.3 -56.35 24.8 Favored Glycine 0 CA--C 1.542 1.75 0 C-N-CA 124.732 1.158 . . . . 0.0 113.489 170.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 4.6 t -48.98 -56.12 9.87 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 126.352 1.861 . . . . 0.0 111.38 175.516 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 41.0 mt -53.69 -61.94 0.79 Allowed 'Isoleucine or valine' 0 C--O 1.223 -0.315 0 C-N-CA 125.994 1.718 . . . . 0.0 112.351 172.113 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.13 -41.26 99.7 Favored Glycine 0 CA--C 1.531 1.052 0 CA-C-N 118.992 0.814 . . . . 0.0 114.194 -168.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -61.83 -55.17 32.74 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.731 0.813 . . . . 0.0 111.845 174.11 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -75.47 -24.9 57.01 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 114.374 1.25 . . . . 0.0 114.374 -175.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.48 -63.62 1.09 Allowed 'General case' 0 C--O 1.216 -0.674 0 O-C-N 120.071 -1.643 . . . . 0.0 109.068 165.132 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.25 -24.42 64.87 Favored 'General case' 0 CA--C 1.552 1.04 0 N-CA-C 113.561 0.948 . . . . 0.0 113.561 -175.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.98 -41.98 94.95 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 114.898 1.444 . . . . 0.0 114.898 167.257 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 27.3 m120 -89.92 -40.0 12.66 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 114.504 1.298 . . . . 0.0 114.504 -178.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 175.51 -123.83 0.0 OUTLIER 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 129.393 3.077 . . . . 0.0 109.115 -151.196 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -137.71 -20.75 1.15 Allowed 'General case' 0 CA--C 1.546 0.796 1 C-N-CA 132.125 4.17 . . . . 0.0 111.054 -177.814 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.3 p -148.94 73.51 1.22 Allowed 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.768 1.627 . . . . 0.0 111.095 152.051 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 78.95 8.65 87.71 Favored Glycine 0 N--CA 1.479 1.527 0 O-C-N 119.634 -1.916 . . . . 0.0 115.37 147.122 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.61 8.94 42.24 Favored Glycine 0 CA--C 1.543 1.783 0 CA-C-N 119.266 1.533 . . . . 0.0 113.744 -162.468 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.2 p30 127.63 -32.3 0.01 OUTLIER 'General case' 0 CA--C 1.551 1.003 1 C-N-CA 137.048 6.139 . . . . 0.0 113.384 177.212 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -159.11 -4.55 0.07 Allowed 'General case' 0 CA--C 1.556 1.176 0 N-CA-C 117.28 2.326 . . . . 0.0 117.28 -169.213 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -64.52 -6.05 20.22 Favored Glycine 0 CA--C 1.536 1.36 0 N-CA-C 117.644 1.818 . . . . 0.0 117.644 -157.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.494 ' CD1' ' HA ' ' A' ' 43' ' ' LYS . 39.1 p90 -67.07 -49.91 63.51 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-N 119.589 1.695 . . . . 0.0 112.918 178.713 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.2 p30 170.57 21.7 0.0 OUTLIER 'General case' 0 CA--C 1.56 1.341 0 C-N-CA 129.812 3.245 . . . . 0.0 112.826 171.231 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.494 ' HA ' ' CD1' ' A' ' 41' ' ' TRP 0.337 25.9 pttm -32.99 103.13 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 117.424 2.379 . . . . 0.0 117.424 -104.838 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 C--O 1.253 1.237 0 C-N-CA 125.303 1.441 . . . . 0.0 112.37 154.026 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.469 ' HE3' ' CZ ' ' A' ' 2' ' ' TYR . 64.6 pttt . . . . . 0 N--CA 1.488 1.438 0 CA-C-O 119.0 -0.524 . . . . 0.01 110.93 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.469 ' CZ ' ' HE3' ' A' ' 1' ' ' LYS . 46.2 m-85 56.74 36.46 27.71 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 125.371 1.468 . . . . 0.0 113.528 -177.48 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -64.55 -35.33 80.62 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 128.297 2.639 . . . . 0.0 114.418 -173.721 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 56.33 17.39 18.18 Favored Glycine 0 CA--C 1.545 1.965 0 C-N-CA 126.516 2.008 . . . . 0.0 116.969 -174.009 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 27.4 m-80 -129.34 51.4 2.06 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 119.543 1.672 . . . . 0.0 112.259 -172.008 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 66.07 -31.35 0.15 Allowed Glycine 0 CA--C 1.541 1.681 1 C-N-CA 131.903 4.573 . . . . 0.0 116.02 172.468 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.555 HG21 ' H ' ' A' ' 16' ' ' VAL . 6.1 p -46.5 157.75 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.447 -0.597 0 C-N-CA 130.767 3.627 . . . . 0.0 115.592 171.034 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 17.4 m80 -132.51 96.26 3.8 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 126.382 1.873 . . . . 0.0 108.83 158.083 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 76.8 m -44.17 135.87 4.17 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 125.415 1.486 . . . . 0.0 113.058 178.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -127.07 5.33 7.33 Favored Glycine 0 N--CA 1.475 1.283 0 C-N-CA 124.989 1.281 . . . . 0.0 115.111 -162.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . 0.281 20.9 ptmt 46.23 39.03 5.61 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 125.526 1.53 . . . . 0.0 113.359 -158.358 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 60.9 m170 -115.48 -6.92 12.28 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 126.686 1.994 . . . . 0.0 115.453 177.227 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 71.2 m -84.3 -71.46 0.51 Allowed 'General case' 0 N--CA 1.472 0.655 1 C-N-CA 137.108 6.163 . . . . 0.0 112.158 5.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 17.3 t -148.25 125.04 11.19 Favored 'General case' 0 C--O 1.241 0.652 0 C-N-CA 125.317 1.447 . . . . 0.0 109.16 -175.162 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 8.8 p -136.68 -23.91 1.19 Allowed 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 119.367 3.099 . . . . 0.0 119.367 -138.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.555 ' H ' HG21 ' A' ' 7' ' ' VAL 0.324 2.1 t -125.29 -174.22 0.99 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 C-N-CA 126.586 1.954 . . . . 0.0 114.051 -149.097 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.475 ' H ' ' CG1' ' A' ' 16' ' ' VAL . 4.6 t70 132.36 -47.23 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.304 1 C-N-CA 135.378 5.471 . . . . 0.0 106.797 -167.477 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 62.3 p-90 -62.88 -42.9 99.94 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.281 1.032 . . . . 0.0 111.944 163.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -67.63 -22.46 73.44 Favored Glycine 0 N--CA 1.478 1.459 0 O-C-N 119.954 -1.716 . . . . 0.0 113.307 179.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 17.0 m -68.19 -36.28 79.33 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 117.916 0.858 . . . . 0.0 110.703 172.172 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.47 -51.96 67.22 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 124.865 1.266 . . . . 0.0 110.659 168.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 35.5 mm -55.8 -41.05 64.64 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 C-N-CA 123.185 0.594 . . . . 0.0 111.387 175.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.32 -46.34 79.34 Favored Glycine 0 N--CA 1.472 1.042 0 C-N-CA 123.968 0.794 . . . . 0.0 113.264 176.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 39.4 t -50.91 -60.98 2.5 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 126.919 2.088 . . . . 0.0 111.28 172.391 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.7 mp -54.18 -56.13 11.15 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 C-N-CA 125.693 1.597 . . . . 0.0 111.286 173.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -57.79 -49.46 74.15 Favored Glycine 0 CA--C 1.534 1.223 0 C-N-CA 125.333 1.444 . . . . 0.0 115.298 -171.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -64.41 -45.77 86.17 Favored 'General case' 0 C--O 1.241 0.613 0 C-N-CA 124.046 0.938 . . . . 0.0 111.138 177.242 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 69.6 m-80 -76.53 -30.59 57.21 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-O 118.105 -0.95 . . . . 0.0 113.278 -177.273 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -49.9 -65.98 0.47 Allowed 'General case' 0 C--O 1.214 -0.766 0 C-N-CA 125.221 1.409 . . . . 0.0 109.749 165.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.28 -23.99 67.5 Favored 'General case' 0 CA--C 1.553 1.058 0 CA-C-N 120.565 1.53 . . . . 0.0 113.605 -175.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.65 -19.86 63.6 Favored 'General case' 0 CA--C 1.551 1.005 0 N-CA-C 114.624 1.342 . . . . 0.0 114.624 167.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -112.81 -23.65 10.02 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 116.868 2.173 . . . . 0.0 116.868 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . 0.42 ' CG ' ' N ' ' A' ' 34' ' ' ALA . 1.2 t-105 141.12 -105.38 0.0 OUTLIER 'General case' 0 CA--C 1.553 1.076 0 C-N-CA 131.076 3.75 . . . . 0.0 110.99 -155.296 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.42 ' N ' ' CG ' ' A' ' 33' ' ' TRP . . . -147.79 8.81 0.88 Allowed 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 130.072 3.349 . . . . 0.0 111.294 -170.549 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . 0.256 80.7 p 102.56 66.2 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.344 1 C-N-CA 133.32 4.648 . . . . 0.0 110.124 -162.65 . . . . . . . . 3 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -170.5 -17.17 0.02 OUTLIER Glycine 0 N--CA 1.479 1.535 0 N-CA-C 116.951 1.54 . . . . 0.0 116.951 174.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -58.98 -33.21 72.94 Favored Glycine 0 CA--C 1.541 1.698 0 CA-C-N 120.214 2.007 . . . . 0.0 113.783 163.001 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 8.0 p-10 -161.52 172.48 16.33 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 127.974 2.51 . . . . 0.0 111.572 169.24 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -125.33 -23.9 4.05 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 125.752 1.621 . . . . 0.0 113.488 171.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -71.47 24.56 0.61 Allowed Glycine 0 CA--C 1.535 1.292 0 C-N-CA 125.625 1.583 . . . . 0.0 114.642 178.452 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.423 ' CD1' ' N ' ' A' ' 42' ' ' ASN . 13.6 p90 -53.45 -66.02 0.46 Allowed 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 126.517 1.927 . . . . 0.0 110.085 170.454 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.428 ' C ' ' H ' ' A' ' 44' ' ' CYS . 34.2 m-80 -152.2 7.08 0.44 Allowed 'General case' 0 CA--C 1.555 1.144 1 C-N-CA 131.821 4.048 . . . . 0.0 109.031 164.467 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 26.5 mmmt 62.95 -27.31 0.07 Allowed 'General case' 0 N--CA 1.494 1.752 0 C-N-CA 128.765 2.826 . . . . 0.0 116.041 -164.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.428 ' H ' ' C ' ' A' ' 42' ' ' ASN . 64.5 m . . . . . 0 CA--C 1.55 0.973 0 N-CA-C 116.622 2.082 . . . . 0.0 116.622 -124.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 69.3 p-90 . . . . . 0 CA--C 1.549 0.929 0 N-CA-C 115.428 1.64 . . . . 0.0 115.428 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -73.99 -22.12 78.34 Favored Glycine 0 N--CA 1.474 1.217 0 CA-C-N 119.889 1.222 . . . . 0.0 114.443 -172.39 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 10.4 p -65.1 -53.66 42.05 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 124.666 1.187 . . . . 0.0 110.57 164.368 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.08 -54.43 39.46 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.762 1.225 . . . . 0.0 111.957 177.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 6.3 pt -63.88 -26.34 40.35 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 N-CA-C 113.561 0.949 . . . . 0.0 113.561 175.181 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.71 -48.97 58.59 Favored Glycine 0 CA--C 1.524 0.639 0 C-N-CA 124.559 1.076 . . . . 0.0 112.431 171.633 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 35.2 m -51.51 -58.13 7.14 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.934 1.294 . . . . 0.0 112.149 171.455 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 28.1 mt -49.47 -63.99 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 126.506 1.922 . . . . 0.0 112.228 173.306 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.63 -43.27 99.49 Favored Glycine 0 CA--C 1.536 1.374 0 CA-C-N 119.317 0.962 . . . . 0.0 112.149 -164.677 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -61.62 -58.93 6.15 Favored 'General case' 0 C--N 1.346 0.428 0 C-N-CA 124.758 1.223 . . . . 0.0 112.377 176.406 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 65.6 m-80 -70.05 -29.54 66.58 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 113.069 0.766 . . . . 0.0 113.069 -174.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.79 -72.97 0.07 Allowed 'General case' 0 C--O 1.215 -0.759 0 CA-C-O 117.844 -1.074 . . . . 0.0 109.906 169.438 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.67 -17.53 55.88 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 114.784 1.401 . . . . 0.0 114.784 -172.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.54 -35.11 79.9 Favored 'General case' 0 CA--C 1.552 1.055 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 166.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 23.9 m120 -110.69 -38.52 5.14 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 115.212 1.56 . . . . 0.0 115.212 -176.726 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' TRP . . . . . 0.408 ' CG ' ' N ' ' A' ' 34' ' ' ALA . 0.0 OUTLIER -178.63 -126.04 0.0 OUTLIER 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 128.18 2.592 . . . . 0.0 108.554 -154.252 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.482 ' O ' HG23 ' A' ' 35' ' ' THR . . . -126.36 -14.83 5.81 Favored 'General case' 0 CA--C 1.539 0.55 1 C-N-CA 131.831 4.053 . . . . 0.0 111.395 177.775 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.482 HG23 ' O ' ' A' ' 34' ' ' ALA . 7.5 p -158.23 57.95 0.46 Allowed 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 127.67 2.388 . . . . 0.0 112.756 163.444 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 76.68 10.09 86.05 Favored Glycine 0 C--N 1.349 1.277 0 O-C-N 119.231 -2.168 . . . . 0.0 114.437 158.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 68.04 -28.86 0.25 Allowed Glycine 0 CA--C 1.547 2.045 0 C-N-CA 125.194 1.378 . . . . 0.0 114.569 -168.434 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -153.62 7.3 0.36 Allowed 'General case' 0 CA--C 1.558 1.285 0 C-N-CA 126.279 1.832 . . . . 0.0 115.333 -174.038 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . 52.63 19.98 1.39 Allowed 'General case' 0 CA--C 1.553 1.078 0 N-CA-C 116.3 1.963 . . . . 0.0 116.3 -168.833 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.85 8.51 21.63 Favored Glycine 0 CA--C 1.537 1.462 0 C-N-CA 126.675 2.083 . . . . 0.0 115.198 -179.407 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 31.6 p90 -56.29 -47.2 79.11 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 119.613 1.706 . . . . 0.0 111.31 176.229 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -164.52 3.72 0.03 OUTLIER 'General case' 0 CA--C 1.563 1.452 0 C-N-CA 126.307 1.843 . . . . 0.0 114.352 150.617 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 26.3 pttm -41.75 144.13 0.44 Allowed 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 118.852 2.908 . . . . 0.0 118.852 -92.416 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 71.0 m . . . . . 0 C--O 1.257 1.484 0 C-N-CA 127.94 2.496 . . . . 0.0 112.077 175.627 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 35.6 p-90 . . . . . 0 CA--C 1.549 0.94 0 N-CA-C 116.229 1.937 . . . . 0.0 116.229 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.37 -24.63 74.97 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 120.019 -1.675 . . . . 0.0 113.849 -176.432 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 36.0 m -65.15 -35.71 81.97 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 117.451 0.625 . . . . 0.0 111.457 170.424 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.25 -51.08 67.63 Favored 'General case' 0 C--N 1.344 0.364 0 CA-C-N 119.02 0.827 . . . . 0.0 112.072 174.11 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 8.5 pt -66.96 -24.14 31.96 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 N-CA-C 114.55 1.315 . . . . 0.0 114.55 173.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.72 -57.78 18.01 Favored Glycine 0 CA--C 1.537 1.416 0 C-N-CA 125.526 1.536 . . . . 0.0 111.691 162.829 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 85.3 m -52.96 -73.45 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 125.228 1.411 . . . . 0.0 112.387 175.06 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 2.1 mp -34.42 -55.63 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.726 0 C-N-CA 127.861 2.464 . . . . 0.0 113.423 169.387 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -73.54 -65.97 2.11 Favored Glycine 0 CA--C 1.537 1.421 0 O-C-N 120.041 -1.662 . . . . 0.0 116.063 -170.655 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 29.6 m120 -62.61 -42.38 99.54 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 123.978 0.911 . . . . 0.0 110.954 -175.75 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -79.78 -17.15 54.11 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-O 117.076 -1.44 . . . . 0.0 113.726 177.375 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.31 -59.8 4.2 Favored 'General case' 0 CA--C 1.502 -0.896 0 CA-C-N 121.583 1.992 . . . . 0.0 108.877 157.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.93 -22.5 65.66 Favored 'General case' 0 CA--C 1.561 1.4 0 CA-C-N 120.178 1.354 . . . . 0.0 113.625 -174.563 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -73.2 -25.67 60.86 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 115.913 1.82 . . . . 0.0 115.913 168.233 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . 0.253 29.2 p30 -115.94 -23.73 8.44 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 116.698 2.11 . . . . 0.0 116.698 -176.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 175.59 -135.24 0.0 OUTLIER 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 128.471 2.708 . . . . 0.0 109.596 -165.144 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -119.19 8.68 11.55 Favored 'General case' 0 CA--C 1.559 1.297 1 C-N-CA 132.857 4.463 . . . . 0.0 110.084 168.631 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 12.8 p 139.51 86.84 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.386 1 C-N-CA 135.088 5.355 . . . . 0.0 112.231 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 115.14 27.38 3.19 Favored Glycine 0 N--CA 1.475 1.262 0 O-C-N 120.282 -1.511 . . . . 0.0 115.28 147.792 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.65 -15.25 53.5 Favored Glycine 0 N--CA 1.476 1.363 0 CA-C-O 119.215 -0.769 . . . . 0.0 114.345 167.126 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -151.23 157.42 42.58 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 118.002 0.901 . . . . 0.0 112.658 169.822 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -80.17 9.28 5.81 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 114.911 1.448 . . . . 0.0 114.911 174.464 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -56.64 -13.64 8.23 Favored Glycine 0 CA--C 1.533 1.173 0 C-N-CA 128.201 2.81 . . . . 0.0 116.62 178.007 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.488 ' CD1' ' C ' ' A' ' 41' ' ' TRP . 0.0 OUTLIER -105.39 -42.59 5.2 Favored 'General case' 0 C--O 1.209 -1.049 0 CA-C-N 118.623 1.211 . . . . 0.0 113.334 150.786 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 46.5 m-80 -53.25 -2.24 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.262 0 N-CA-C 116.983 2.216 . . . . 0.0 116.983 -167.299 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.5 -65.68 0.39 Allowed 'General case' 0 N--CA 1.483 1.198 0 N-CA-C 115.368 1.618 . . . . 0.0 115.368 139.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 41.0 t . . . . . 0 C--O 1.252 1.197 1 C-N-CA 132.234 4.213 . . . . 0.0 112.178 -175.316 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 33.2 p-90 . . . . . 0 N--CA 1.484 1.236 0 N-CA-C 116.379 1.992 . . . . 0.0 116.379 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -52.43 -39.58 52.65 Favored Glycine 0 N--CA 1.475 1.265 0 C-N-CA 125.691 1.615 . . . . 0.0 113.539 -172.838 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 62.1 m -66.58 -45.53 78.96 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.35 1.46 . . . . 0.0 111.362 178.681 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.76 -57.36 12.76 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 125.259 1.424 . . . . 0.0 113.077 178.24 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 40.6 mm -65.64 -30.62 50.69 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.696 0 C-N-CA 124.559 1.143 . . . . 0.0 112.285 176.142 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.69 -47.86 78.86 Favored Glycine 0 CA--C 1.527 0.793 0 O-C-N 120.622 -1.299 . . . . 0.0 113.134 174.224 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.474 ' HB3' ' CD1' ' A' ' 41' ' ' TRP . 68.1 m -54.71 -62.56 1.58 Allowed 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 125.547 1.539 . . . . 0.0 111.222 173.346 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 52.7 mt -33.67 -66.3 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 126.817 2.047 . . . . 0.0 112.069 164.522 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -54.49 -52.24 46.34 Favored Glycine 0 CA--C 1.538 1.52 0 CA-C-N 119.757 1.162 . . . . 0.0 115.08 -171.185 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 45.4 t30 -61.64 -66.14 0.58 Allowed 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 124.174 0.99 . . . . 0.0 113.182 -178.411 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -79.48 -13.39 59.6 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 120.763 -1.21 . . . . 0.0 113.386 -174.448 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.91 -46.49 84.58 Favored 'General case' 0 C--N 1.347 0.463 0 CA-C-N 121.309 1.868 . . . . 0.0 112.675 160.429 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.3 -24.68 66.59 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 120.925 1.693 . . . . 0.0 113.068 179.511 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.36 -49.25 67.54 Favored 'General case' 0 CA--C 1.555 1.136 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 163.527 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -67.22 -50.99 58.65 Favored 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 126.175 1.79 . . . . 0.0 114.321 -177.627 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 172.92 -122.3 0.0 OUTLIER 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 127.747 2.419 . . . . 0.0 110.095 -137.705 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -145.13 -34.15 0.35 Allowed 'General case' 0 CA--C 1.547 0.85 1 C-N-CA 133.052 4.541 . . . . 0.0 110.325 -175.233 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -159.93 94.91 1.15 Allowed 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 128.673 2.789 . . . . 0.0 111.65 152.772 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 99.25 36.56 4.36 Favored Glycine 0 N--CA 1.47 0.955 0 C-N-CA 118.709 -1.71 . . . . 0.0 115.149 143.801 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -54.27 -17.66 8.37 Favored Glycine 0 CA--C 1.545 1.968 0 CA-C-N 118.053 0.926 . . . . 0.0 112.775 159.549 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 59.9 t30 -150.96 166.33 30.99 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.988 1.315 . . . . 0.0 113.28 167.02 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -76.88 20.3 0.25 Allowed 'General case' 0 CA--C 1.558 1.252 0 C-N-CA 127.399 2.28 . . . . 0.0 113.428 170.538 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -53.31 -32.25 43.96 Favored Glycine 0 CA--C 1.523 0.574 0 C-N-CA 127.194 2.33 . . . . 0.0 114.764 -178.518 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.475 ' CD1' ' C ' ' A' ' 41' ' ' TRP . 0.1 OUTLIER -97.62 -38.19 9.63 Favored 'General case' 0 C--O 1.217 -0.651 0 CA-C-O 117.603 -1.189 . . . . 0.0 112.661 156.228 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . 0.252 1.1 t-20 -57.14 2.25 0.03 OUTLIER 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 116.735 2.124 . . . . 0.0 116.735 -163.42 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.53 -45.09 2.2 Favored 'General case' 0 CA--C 1.551 0.982 0 N-CA-C 116.929 2.196 . . . . 0.0 116.929 141.24 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 65.5 m . . . . . 0 C--O 1.251 1.15 0 C-N-CA 125.099 1.359 . . . . 0.0 112.832 -175.032 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 14.4 p-90 . . . . . 0 CA--C 1.554 1.135 0 N-CA-C 116.904 2.187 . . . . 0.0 116.904 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -70.86 -40.04 64.28 Favored Glycine 0 CA--C 1.532 1.141 0 O-C-N 119.987 -1.696 . . . . 0.0 109.801 175.475 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.1 p -66.58 -31.89 72.88 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 125.414 1.486 . . . . 0.0 112.891 167.36 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.51 -51.21 70.41 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 125.052 1.341 . . . . 0.0 110.745 172.716 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 18.5 mm -62.25 -39.36 83.81 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.899 0 C-N-CA 123.729 0.812 . . . . 0.0 111.677 172.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.91 -46.91 91.89 Favored Glycine 0 CA--C 1.535 1.284 0 C-N-CA 123.824 0.726 . . . . 0.0 113.294 175.194 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 7.0 t -55.74 -74.08 0.05 OUTLIER 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 126.639 1.976 . . . . 0.0 111.07 169.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.7 mp -46.93 -40.37 4.94 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 C-N-CA 125.043 1.337 . . . . 0.0 112.595 -179.58 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -66.86 -53.9 24.7 Favored Glycine 0 CA--C 1.539 1.583 0 CA-C-N 121.795 2.088 . . . . 0.0 114.577 177.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -63.9 -44.07 94.11 Favored 'General case' 0 CA--C 1.54 0.563 0 O-C-N 121.207 -1.173 . . . . 0.0 111.517 178.058 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 27.2 m120 -67.24 -34.91 78.45 Favored 'General case' 0 CA--C 1.549 0.911 0 CA-C-O 118.06 -0.972 . . . . 0.0 113.135 176.606 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -51.37 -60.3 3.28 Favored 'General case' 0 C--O 1.216 -0.691 0 CA-C-N 120.246 1.385 . . . . 0.0 109.822 168.326 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.76 -21.86 66.62 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 120.399 1.454 . . . . 0.0 113.982 -177.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.21 -23.17 62.89 Favored 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 114.66 1.356 . . . . 0.0 114.66 169.167 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 9.9 p30 -107.31 -26.61 10.94 Favored 'General case' 0 C--O 1.24 0.593 0 N-CA-C 116.187 1.921 . . . . 0.0 116.187 176.429 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' TRP . . . . . 0.446 ' CG ' ' N ' ' A' ' 34' ' ' ALA . 2.0 t-105 146.04 -101.61 0.0 OUTLIER 'General case' 0 CA--C 1.565 1.519 0 C-N-CA 130.368 3.467 . . . . 0.0 111.068 -156.535 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.446 ' N ' ' CG ' ' A' ' 33' ' ' TRP . . . -154.84 43.49 0.49 Allowed 'General case' 0 CA--C 1.563 1.445 0 C-N-CA 130.742 3.617 . . . . 0.0 107.365 -172.113 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . 0.356 6.5 t 56.09 79.86 0.16 Allowed 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 129.032 2.933 . . . . 0.0 112.055 -163.363 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -179.86 -15.47 0.03 OUTLIER Glycine 0 N--CA 1.472 1.048 0 CA-C-O 118.208 -1.329 . . . . 0.0 115.953 170.829 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -53.62 -56.31 20.81 Favored Glycine 0 CA--C 1.539 1.57 0 CA-C-N 119.832 1.816 . . . . 0.0 113.21 172.707 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.6 p-10 -164.29 145.68 8.48 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 127.111 2.164 . . . . 0.0 111.667 176.419 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -82.72 -17.21 45.14 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 125.46 1.504 . . . . 0.0 113.459 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -59.88 8.62 0.05 OUTLIER Glycine 0 CA--C 1.536 1.347 0 C-N-CA 126.873 2.178 . . . . 0.0 115.72 173.708 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 1.7 p90 -48.21 -41.46 27.33 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 127.76 2.424 . . . . 0.0 113.177 168.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 147.49 8.26 0.0 OUTLIER 'General case' 0 CA--C 1.557 1.217 1 C-N-CA 135.46 5.504 . . . . 0.0 113.651 -174.961 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 19.9 ptmt 1.28 82.38 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 129.745 3.218 . . . . 0.0 115.315 -174.182 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 8.9 p . . . . . 0 C--O 1.257 1.473 0 CA-C-N 113.632 -1.622 . . . . 0.0 113.937 -162.32 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 34.1 p-90 . . . . . 0 CA--C 1.552 1.03 0 N-CA-C 114.262 1.208 . . . . 0.0 114.262 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -60.16 -19.56 52.05 Favored Glycine 0 CA--C 1.529 0.939 0 C-N-CA 123.499 0.571 . . . . 0.0 114.337 173.191 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 29.2 p -60.79 -44.93 96.19 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 118.69 1.245 . . . . 0.0 113.339 168.426 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.94 -53.81 18.83 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 124.893 1.277 . . . . 0.0 112.191 177.094 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 21.8 pt -68.86 -17.22 21.79 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 N-CA-C 114.329 1.233 . . . . 0.0 114.329 176.44 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -82.7 -37.87 12.95 Favored Glycine 0 C--N 1.342 0.873 0 C-N-CA 125.05 1.31 . . . . 0.0 113.6 170.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 53.3 t -54.08 -52.16 61.84 Favored 'General case' 0 C--O 1.246 0.92 0 C-N-CA 125.162 1.385 . . . . 0.0 110.373 165.048 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.3 mp -53.06 -56.64 6.98 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.785 0 C-N-CA 123.629 0.771 . . . . 0.0 111.629 166.13 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.23 -44.47 84.19 Favored Glycine 0 CA--C 1.531 1.075 0 C-N-CA 125.381 1.467 . . . . 0.0 113.628 -169.342 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 50.3 m-80 -64.7 -55.61 18.94 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 112.767 0.655 . . . . 0.0 112.767 173.574 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 69.8 m-80 -74.12 -26.58 60.42 Favored 'General case' 0 CA--C 1.551 1.014 0 N-CA-C 114.539 1.311 . . . . 0.0 114.539 -172.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.61 -72.67 0.07 Allowed 'General case' 0 C--O 1.206 -1.207 0 CA-C-O 116.598 -1.668 . . . . 0.0 109.548 158.277 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.92 -9.27 28.03 Favored 'General case' 0 CA--C 1.553 1.072 0 CA-C-N 123.637 2.926 . . . . 0.0 115.656 -167.8 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.91 -61.08 2.65 Favored 'General case' 0 CA--C 1.547 0.845 0 O-C-N 120.406 -1.433 . . . . 0.0 112.915 154.456 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -153.28 94.08 1.78 Allowed 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 126.421 1.888 . . . . 0.0 110.619 170.678 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -153.35 -55.46 0.12 Allowed 'General case' 0 CA--C 1.554 1.128 0 C-N-CA 130.678 3.591 . . . . 0.0 108.653 2.793 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -143.96 68.78 1.27 Allowed 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 128.695 2.798 . . . . 0.0 107.607 169.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 41.6 p 44.33 44.4 6.71 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 126.371 1.868 . . . . 0.0 114.341 -164.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -158.96 -10.37 0.05 OUTLIER Glycine 0 N--CA 1.476 1.353 0 N-CA-C 118.791 2.276 . . . . 0.0 118.791 -175.499 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -73.06 -29.08 65.28 Favored Glycine 0 CA--C 1.532 1.119 0 CA-C-N 119.762 1.781 . . . . 0.0 114.542 177.795 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -144.05 -48.62 0.28 Allowed 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 115.684 1.735 . . . . 0.0 115.684 178.297 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . 58.9 -26.36 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 129.233 3.013 . . . . 0.0 116.96 -172.321 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -67.25 11.03 0.79 Allowed Glycine 0 CA--C 1.54 1.598 0 C-N-CA 126.151 1.834 . . . . 0.0 114.099 170.687 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 2.2 p90 -57.84 -54.81 42.74 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 126.953 2.101 . . . . 0.0 109.405 178.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 21.5 p30 -162.77 0.18 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 128.85 2.86 . . . . 0.0 113.779 163.795 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 25.2 pttm -27.81 138.95 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.289 0 N-CA-C 118.864 2.913 . . . . 0.0 118.864 -114.844 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.3 m . . . . . 0 C--O 1.257 1.448 0 CA-C-N 114.148 -1.387 . . . . 0.0 113.976 -157.684 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 64.3 p-90 . . . . . 0 CA--C 1.545 0.774 0 N-CA-C 116.284 1.957 . . . . 0.0 116.284 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -52.03 -30.49 30.66 Favored Glycine 0 N--CA 1.473 1.117 0 C-N-CA 125.577 1.561 . . . . 0.0 113.648 162.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 36.3 p -59.29 -42.74 92.02 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 126.573 1.949 . . . . 0.0 112.42 170.057 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.08 -42.86 93.69 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.89 0.876 . . . . 0.0 112.345 175.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.0 mt -57.88 -49.52 80.81 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 122.987 0.515 . . . . 0.0 110.942 172.033 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.88 -40.43 98.84 Favored Glycine 0 N--CA 1.472 1.036 0 C-N-CA 123.826 0.727 . . . . 0.0 113.001 179.317 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 27.9 t -60.33 -52.37 65.56 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.219 1.408 . . . . 0.0 112.387 175.246 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.4 mp -52.68 -48.03 49.26 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 C-N-CA 125.204 1.402 . . . . 0.0 112.542 166.612 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -68.18 -41.31 86.85 Favored Glycine 0 CA--C 1.527 0.821 0 CA-C-N 119.64 1.109 . . . . 0.0 115.568 -173.054 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 19.6 t30 -59.92 -53.22 60.43 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.488 1.115 . . . . 0.0 110.622 173.034 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 67.4 m-80 -73.23 -23.75 60.4 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 114.382 1.253 . . . . 0.0 114.382 -178.121 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.21 -55.59 32.76 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 117.823 -1.084 . . . . 0.0 109.98 164.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.55 -26.17 68.3 Favored 'General case' 0 CA--C 1.561 1.387 0 CA-C-N 120.575 1.534 . . . . 0.0 113.349 -178.225 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.07 -45.81 79.97 Favored 'General case' 0 CA--C 1.547 0.849 0 O-C-N 121.248 -0.907 . . . . 0.0 113.356 167.56 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.68 -54.06 37.59 Favored 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 125.613 1.565 . . . . 0.0 114.487 175.159 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' TRP . . . . . 0.4 ' CG ' ' N ' ' A' ' 34' ' ' ALA . 0.0 OUTLIER 157.86 -118.05 0.0 OUTLIER 'General case' 0 CA--C 1.564 1.5 0 C-N-CA 128.196 2.598 . . . . 0.0 110.231 -129.594 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.4 ' N ' ' CG ' ' A' ' 33' ' ' TRP . . . -146.22 9.87 1.12 Allowed 'General case' 0 CA--C 1.56 1.361 1 C-N-CA 132.053 4.141 . . . . 0.0 111.205 -179.023 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 22.0 p 118.84 100.49 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.787 1 C-N-CA 134.691 5.197 . . . . 0.0 110.218 -171.188 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 139.76 -16.29 3.07 Favored Glycine 0 N--CA 1.482 1.757 0 N-CA-C 116.312 1.285 . . . . 0.0 116.312 160.09 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -51.63 -39.63 46.33 Favored Glycine 0 CA--C 1.542 1.777 0 CA-C-N 120.139 1.97 . . . . 0.0 114.262 178.573 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -156.19 98.49 1.87 Allowed 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 125.907 1.683 . . . . 0.0 110.576 169.734 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.97 -19.67 63.04 Favored 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 174.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -58.74 6.62 0.04 OUTLIER Glycine 0 CA--C 1.551 2.32 0 C-N-CA 126.698 2.094 . . . . 0.0 114.786 164.558 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 1.5 p90 -50.61 -43.25 56.76 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 126.487 1.915 . . . . 0.0 112.642 172.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 149.66 25.34 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.969 1 C-N-CA 133.835 4.854 . . . . 0.0 111.461 -179.425 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 63.0 pttt -24.34 108.21 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 128.273 2.629 . . . . 0.0 116.392 -162.452 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 3.9 m . . . . . 0 C--O 1.252 1.2 0 CA-C-N 113.955 -1.475 . . . . 0.0 114.132 -151.667 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 45.1 p-90 . . . . . 0 CA--C 1.545 0.784 0 N-CA-C 115.286 1.587 . . . . 0.0 115.286 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.47 -22.8 75.12 Favored Glycine 0 CA--C 1.543 1.84 0 O-C-N 119.603 -1.936 . . . . 0.0 111.922 173.755 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 13.4 m -66.01 -32.02 73.25 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 121.391 -1.064 . . . . 0.0 112.373 165.677 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.77 -41.24 92.3 Favored 'General case' 0 CA--C 1.535 0.375 0 O-C-N 120.142 -1.599 . . . . 0.0 111.802 171.131 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 6.9 mm -59.61 -44.07 92.53 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 O-C-N 120.855 -1.153 . . . . 0.0 112.436 170.794 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.92 -46.6 93.24 Favored Glycine 0 CA--C 1.533 1.174 0 C-N-CA 123.591 0.615 . . . . 0.0 111.672 177.172 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 50.1 t -54.46 -64.84 0.7 Allowed 'General case' 0 CA--C 1.554 1.106 0 C-N-CA 126.996 2.118 . . . . 0.0 112.232 174.611 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.7 mp -53.74 -48.76 60.48 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.108 0 C-N-CA 124.538 1.135 . . . . 0.0 111.468 175.842 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.79 -51.15 57.09 Favored Glycine 0 CA--C 1.535 1.335 0 C-N-CA 124.623 1.106 . . . . 0.0 112.518 -173.022 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -66.62 -53.2 36.76 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 123.398 0.679 . . . . 0.0 111.997 177.297 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 68.5 m-80 -72.64 -38.95 67.55 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 121.049 -1.032 . . . . 0.0 112.589 -170.79 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.98 -37.58 88.12 Favored 'General case' 0 C--O 1.214 -0.794 0 O-C-N 120.135 -1.603 . . . . 0.0 112.258 169.165 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.0 -24.0 66.77 Favored 'General case' 0 CA--C 1.553 1.091 0 CA-C-N 121.551 1.978 . . . . 0.0 112.805 175.166 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.83 -21.94 50.72 Favored 'General case' 0 CA--C 1.557 1.212 0 N-CA-C 114.713 1.375 . . . . 0.0 114.713 165.362 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 54.6 m-80 -110.03 -4.95 15.57 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 117.154 2.279 . . . . 0.0 117.154 -176.207 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 147.26 -106.33 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.239 1 C-N-CA 132.193 4.197 . . . . 0.0 109.853 -162.746 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -165.0 -33.99 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.43 1 C-N-CA 132.239 4.216 . . . . 0.0 109.55 -173.738 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 17.6 p -139.85 65.28 1.43 Allowed 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 126.4 1.88 . . . . 0.0 112.1 151.281 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 76.87 84.33 0.47 Allowed Glycine 0 CA--C 1.54 1.624 0 CA-C-O 122.684 1.158 . . . . 0.0 115.487 153.791 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -58.06 -9.16 5.34 Favored Glycine 0 CA--C 1.547 2.042 0 CA-C-N 114.421 -0.889 . . . . 0.0 113.128 142.566 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -155.02 170.53 21.57 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 126.314 1.846 . . . . 0.0 109.592 170.108 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -132.49 -7.65 3.28 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.231 1.412 . . . . 0.0 114.094 176.652 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -72.64 14.07 2.73 Favored Glycine 0 CA--C 1.53 1.013 0 C-N-CA 126.405 1.955 . . . . 0.0 116.235 -179.358 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 19.4 p90 -49.91 -62.2 1.7 Allowed 'General case' 0 C--N 1.343 0.319 0 C-N-CA 126.297 1.839 . . . . 0.0 111.016 175.464 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -152.51 12.29 0.53 Allowed 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 128.314 2.645 . . . . 0.0 111.501 154.549 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt 46.77 173.13 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 125.9 1.68 . . . . 0.0 114.123 -141.744 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 58.1 m . . . . . 0 C--O 1.253 1.272 0 CA-C-O 118.089 -0.958 . . . . 0.0 111.055 125.047 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 55.7 p-90 . . . . . 0 CA--C 1.549 0.909 0 N-CA-C 113.606 0.965 . . . . 0.0 113.606 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -73.07 -16.27 78.5 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 114.823 0.689 . . . . 0.0 114.823 178.517 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 23.0 m -73.8 -41.31 62.53 Favored 'General case' 0 N--CA 1.476 0.843 0 O-C-N 121.025 -1.279 . . . . 0.0 111.074 167.352 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.64 -54.63 44.17 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.184 0.994 . . . . 0.0 111.868 174.618 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 7.5 pt -68.59 -25.85 31.86 Favored 'Isoleucine or valine' 0 C--N 1.348 0.513 0 CA-C-N 119.12 0.873 . . . . 0.0 112.738 174.71 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.18 -50.61 65.94 Favored Glycine 0 CA--C 1.547 2.085 0 C-N-CA 124.502 1.049 . . . . 0.0 111.567 171.219 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 70.9 m -56.48 -70.2 0.13 Allowed 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.864 0.865 . . . . 0.0 111.281 171.102 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.7 mp -52.04 -42.41 34.56 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 C-N-CA 124.615 1.166 . . . . 0.0 111.407 -173.326 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.3 -58.66 13.27 Favored Glycine 0 CA--C 1.538 1.524 0 O-C-N 120.963 -1.085 . . . . 0.0 114.052 177.39 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 36.2 t30 -64.61 -51.73 61.15 Favored 'General case' 0 C--O 1.241 0.64 0 C-N-CA 123.567 0.747 . . . . 0.0 112.641 178.838 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -63.89 -40.8 97.36 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.432 1.093 . . . . 0.0 111.661 -177.348 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.83 -38.71 83.56 Favored 'General case' 0 C--O 1.217 -0.616 0 O-C-N 120.421 -1.424 . . . . 0.0 113.051 171.684 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.6 -24.52 66.74 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 120.167 1.349 . . . . 0.0 112.883 178.578 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -74.85 -40.72 60.85 Favored 'General case' 0 CA--C 1.552 1.039 0 N-CA-C 114.293 1.219 . . . . 0.0 114.293 166.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 34.2 m-80 -74.01 -42.3 60.56 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 125.386 1.475 . . . . 0.0 114.231 -179.349 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 170.8 -113.43 0.0 OUTLIER 'General case' 0 CA--C 1.557 1.247 0 C-N-CA 127.989 2.516 . . . . 0.0 108.783 -147.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -154.19 -39.04 0.09 Allowed 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 131.575 3.95 . . . . 0.0 109.28 -171.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 16.7 p -146.18 81.55 1.59 Allowed 'General case' 0 C--N 1.349 0.587 0 C-N-CA 127.595 2.358 . . . . 0.0 111.825 150.727 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 79.79 71.43 1.26 Allowed Glycine 0 C--N 1.346 1.101 0 C-N-CA 118.83 -1.652 . . . . 0.0 114.16 148.213 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -58.84 -6.54 3.81 Favored Glycine 0 CA--C 1.552 2.368 0 CA-C-O 119.734 -0.481 . . . . 0.0 113.137 146.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -150.31 178.8 8.67 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 125.287 1.435 . . . . 0.0 111.365 164.623 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -130.63 -20.26 2.92 Favored 'General case' 0 CA--C 1.559 1.298 0 C-N-CA 125.872 1.669 . . . . 0.0 113.573 170.663 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -66.98 20.66 0.21 Allowed Glycine 0 CA--C 1.538 1.504 0 O-C-N 120.059 -1.651 . . . . 0.0 115.201 169.303 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 6.1 p90 -55.41 -45.53 76.71 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.657 1.583 . . . . 0.0 112.01 167.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 153.13 20.28 0.0 OUTLIER 'General case' 0 CA--C 1.555 1.159 1 C-N-CA 133.855 4.862 . . . . 0.0 111.794 -175.649 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 20.7 pttp -15.05 94.5 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.949 0 C-N-CA 127.639 2.376 . . . . 0.0 116.443 -172.574 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 68.1 m . . . . . 0 C--O 1.258 1.537 0 CA-C-O 117.8 -1.095 . . . . 0.0 113.357 -162.471 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . 0.287 7.8 m95 . . . . . 0 N--CA 1.466 0.371 0 N-CA-C 117.066 2.247 . . . . 0.0 117.066 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -63.37 -25.62 68.69 Favored Glycine 0 CA--C 1.541 1.694 0 CA-C-N 120.127 1.331 . . . . 0.0 113.722 -167.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 22.8 m -60.5 -39.64 88.45 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.339 1.056 . . . . 0.0 113.47 168.468 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.59 -41.34 84.26 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 119.36 0.982 . . . . 0.0 111.463 176.276 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 5.0 mt -60.81 -43.55 95.66 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 124.165 0.986 . . . . 0.0 111.356 173.52 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.3 -56.35 24.8 Favored Glycine 0 CA--C 1.542 1.75 0 C-N-CA 124.732 1.158 . . . . 0.0 113.489 170.804 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 4.6 t -48.98 -56.12 9.87 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 126.352 1.861 . . . . 0.0 111.38 175.516 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 41.0 mt -53.69 -61.94 0.79 Allowed 'Isoleucine or valine' 0 C--O 1.223 -0.315 0 C-N-CA 125.994 1.718 . . . . 0.0 112.351 172.113 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.13 -41.26 99.7 Favored Glycine 0 CA--C 1.531 1.052 0 CA-C-N 118.992 0.814 . . . . 0.0 114.194 -168.405 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -61.83 -55.17 32.74 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.731 0.813 . . . . 0.0 111.845 174.11 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -75.47 -24.9 57.01 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 114.374 1.25 . . . . 0.0 114.374 -175.642 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.48 -63.62 1.09 Allowed 'General case' 0 C--O 1.216 -0.674 0 O-C-N 120.071 -1.643 . . . . 0.0 109.068 165.132 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.25 -24.42 64.87 Favored 'General case' 0 CA--C 1.552 1.04 0 N-CA-C 113.561 0.948 . . . . 0.0 113.561 -175.024 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.98 -41.98 94.95 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 114.898 1.444 . . . . 0.0 114.898 167.257 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 27.3 m120 -89.92 -40.0 12.66 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 114.504 1.298 . . . . 0.0 114.504 -178.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 175.51 -123.83 0.0 OUTLIER 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 129.393 3.077 . . . . 0.0 109.115 -151.196 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -137.71 -20.75 1.15 Allowed 'General case' 0 CA--C 1.546 0.796 1 C-N-CA 132.125 4.17 . . . . 0.0 111.054 -177.814 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.3 p -148.94 73.51 1.22 Allowed 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.768 1.627 . . . . 0.0 111.095 152.051 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 78.95 8.65 87.71 Favored Glycine 0 N--CA 1.479 1.527 0 O-C-N 119.634 -1.916 . . . . 0.0 115.37 147.122 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.61 8.94 42.24 Favored Glycine 0 CA--C 1.543 1.783 0 CA-C-N 119.266 1.533 . . . . 0.0 113.744 -162.468 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.2 p30 127.63 -32.3 0.01 OUTLIER 'General case' 0 CA--C 1.551 1.003 1 C-N-CA 137.048 6.139 . . . . 0.0 113.384 177.212 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -159.11 -4.55 0.07 Allowed 'General case' 0 CA--C 1.556 1.176 0 N-CA-C 117.28 2.326 . . . . 0.0 117.28 -169.213 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -64.52 -6.05 20.22 Favored Glycine 0 CA--C 1.536 1.36 0 N-CA-C 117.644 1.818 . . . . 0.0 117.644 -157.49 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.508 ' CD1' ' HA ' ' A' ' 43' ' ' LYS . 39.1 p90 -67.07 -49.91 63.51 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-N 119.589 1.695 . . . . 0.0 112.918 178.713 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.2 p30 170.57 21.7 0.0 OUTLIER 'General case' 0 CA--C 1.56 1.341 0 C-N-CA 129.812 3.245 . . . . 0.0 112.826 171.231 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.508 ' HA ' ' CD1' ' A' ' 41' ' ' TRP 0.337 25.9 pttm -32.99 103.13 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 117.424 2.379 . . . . 0.0 117.424 -104.838 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 C--O 1.253 1.237 0 C-N-CA 125.303 1.441 . . . . 0.0 112.37 154.026 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 62.3 p-90 . . . . . 0 N--CA 1.478 0.971 0 CA-C-O 121.573 0.701 . . . . 0.0 111.944 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -67.63 -22.46 73.44 Favored Glycine 0 N--CA 1.478 1.459 0 O-C-N 119.954 -1.716 . . . . 0.0 113.307 179.563 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 17.0 m -68.19 -36.28 79.33 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 117.916 0.858 . . . . 0.0 110.703 172.172 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.47 -51.96 67.22 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 124.865 1.266 . . . . 0.0 110.659 168.757 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 35.5 mm -55.8 -41.05 64.64 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 C-N-CA 123.185 0.594 . . . . 0.0 111.387 175.651 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.32 -46.34 79.34 Favored Glycine 0 N--CA 1.472 1.042 0 C-N-CA 123.968 0.794 . . . . 0.0 113.264 176.687 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 39.4 t -50.91 -60.98 2.5 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 126.919 2.088 . . . . 0.0 111.28 172.391 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.7 mp -54.18 -56.13 11.15 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 C-N-CA 125.693 1.597 . . . . 0.0 111.286 173.466 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -57.79 -49.46 74.15 Favored Glycine 0 CA--C 1.534 1.223 0 C-N-CA 125.333 1.444 . . . . 0.0 115.298 -171.556 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -64.41 -45.77 86.17 Favored 'General case' 0 C--O 1.241 0.613 0 C-N-CA 124.046 0.938 . . . . 0.0 111.138 177.242 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 69.6 m-80 -76.53 -30.59 57.21 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-O 118.105 -0.95 . . . . 0.0 113.278 -177.273 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -49.9 -65.98 0.47 Allowed 'General case' 0 C--O 1.214 -0.766 0 C-N-CA 125.221 1.409 . . . . 0.0 109.749 165.677 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.28 -23.99 67.5 Favored 'General case' 0 CA--C 1.553 1.058 0 CA-C-N 120.565 1.53 . . . . 0.0 113.605 -175.343 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.65 -19.86 63.6 Favored 'General case' 0 CA--C 1.551 1.005 0 N-CA-C 114.624 1.342 . . . . 0.0 114.624 167.466 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -112.81 -23.65 10.02 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 116.868 2.173 . . . . 0.0 116.868 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' TRP . . . . . 0.42 ' CG ' ' N ' ' A' ' 34' ' ' ALA . 1.2 t-105 141.12 -105.38 0.0 OUTLIER 'General case' 0 CA--C 1.553 1.076 0 C-N-CA 131.076 3.75 . . . . 0.0 110.99 -155.296 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.42 ' N ' ' CG ' ' A' ' 33' ' ' TRP . . . -147.79 8.81 0.88 Allowed 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 130.072 3.349 . . . . 0.0 111.294 -170.549 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . 0.256 80.7 p 102.56 66.2 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.344 1 C-N-CA 133.32 4.648 . . . . 0.0 110.124 -162.65 . . . . . . . . 3 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -170.5 -17.17 0.02 OUTLIER Glycine 0 N--CA 1.479 1.535 0 N-CA-C 116.951 1.54 . . . . 0.0 116.951 174.442 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -58.98 -33.21 72.94 Favored Glycine 0 CA--C 1.541 1.698 0 CA-C-N 120.214 2.007 . . . . 0.0 113.783 163.001 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 8.0 p-10 -161.52 172.48 16.33 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 127.974 2.51 . . . . 0.0 111.572 169.24 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.405 ' HA ' ' CE3' ' A' ' 41' ' ' TRP . . . -125.33 -23.9 4.05 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 125.752 1.621 . . . . 0.0 113.488 171.884 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -71.47 24.56 0.61 Allowed Glycine 0 CA--C 1.535 1.292 0 C-N-CA 125.625 1.583 . . . . 0.0 114.642 178.452 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.423 ' CD1' ' N ' ' A' ' 42' ' ' ASN . 13.6 p90 -53.45 -66.02 0.46 Allowed 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 126.517 1.927 . . . . 0.0 110.085 170.454 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.423 ' N ' ' CD1' ' A' ' 41' ' ' TRP . 34.2 m-80 -152.2 7.08 0.44 Allowed 'General case' 0 CA--C 1.555 1.144 1 C-N-CA 131.821 4.048 . . . . 0.0 109.031 164.467 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 26.5 mmmt 62.95 -27.31 0.07 Allowed 'General case' 0 N--CA 1.494 1.752 0 C-N-CA 128.765 2.826 . . . . 0.0 116.041 -164.749 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 64.5 m . . . . . 0 CA--C 1.55 0.973 0 N-CA-C 116.622 2.082 . . . . 0.0 116.622 -124.87 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 4.7 tmtp? . . . . . 0 N--CA 1.493 1.683 0 CA-C-O 119.522 -0.275 . . . . 0.01 111.275 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -111.64 -28.34 8.17 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 125.051 1.341 . . . . 0.0 110.823 165.247 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 29.1 t80 -137.52 -169.39 2.51 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 127.922 2.489 . . . . 0.0 109.725 160.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.78 18.79 0.04 OUTLIER Glycine 0 CA--C 1.53 0.995 0 N-CA-C 120.2 2.84 . . . . 0.0 120.2 175.277 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -129.6 81.09 2.0 Allowed 'General case' 0 N--CA 1.483 1.192 0 CA-C-N 120.355 2.077 . . . . 0.0 109.702 177.324 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 79.58 105.05 0.25 Allowed Glycine 0 N--CA 1.469 0.892 0 N-CA-C 108.398 -1.881 . . . . 0.0 108.398 -154.016 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . 0.295 0.3 OUTLIER 51.39 150.04 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.544 0.724 1 C-N-CA 133.626 4.771 . . . . 0.0 117.213 -170.542 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 62.8 m80 -112.04 -35.99 5.5 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 125.188 1.395 . . . . 0.0 114.691 -172.647 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.409 ' N ' ' HB2' ' A' ' 14' ' ' CYS 0.611 1.6 p -153.93 -128.63 0.03 OUTLIER 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 116.902 2.186 . . . . 0.0 116.902 158.165 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -155.28 -157.35 8.19 Favored Glycine 0 CA--C 1.542 1.729 0 C-N-CA 126.18 1.848 . . . . 0.0 111.233 -171.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -48.89 -20.52 0.51 Allowed 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 127.243 2.217 . . . . 0.0 115.019 177.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -37.79 -57.76 0.97 Allowed 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 126.774 2.03 . . . . 0.0 112.884 160.262 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 30.2 p 172.62 -44.97 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 127.453 2.301 . . . . 0.0 112.937 -176.581 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.409 ' HB2' ' N ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -74.42 -74.01 0.21 Allowed 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 124.38 1.072 . . . . 0.0 113.763 -160.768 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 6.1 m 52.89 -127.44 2.45 Favored 'General case' 0 CA--C 1.549 0.922 0 CA-C-O 117.752 -1.118 . . . . 0.0 110.463 -177.605 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 53.0 t 48.82 95.51 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 N-CA-C 117.465 2.394 . . . . 0.0 117.465 177.617 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.02 -1.81 41.78 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 113.246 0.832 . . . . 0.0 113.246 138.763 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 69.3 p-90 -121.87 -36.61 2.98 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 126.688 1.995 . . . . 0.0 115.428 -164.07 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -73.99 -22.12 78.34 Favored Glycine 0 N--CA 1.474 1.217 0 CA-C-N 119.889 1.222 . . . . 0.0 114.443 -172.39 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 10.4 p -65.1 -53.66 42.05 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 124.666 1.187 . . . . 0.0 110.57 164.368 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.08 -54.43 39.46 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.762 1.225 . . . . 0.0 111.957 177.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 6.3 pt -63.88 -26.34 40.35 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 N-CA-C 113.561 0.949 . . . . 0.0 113.561 175.181 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.71 -48.97 58.59 Favored Glycine 0 CA--C 1.524 0.639 0 C-N-CA 124.559 1.076 . . . . 0.0 112.431 171.633 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 35.2 m -51.51 -58.13 7.14 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.934 1.294 . . . . 0.0 112.149 171.455 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 28.1 mt -49.47 -63.99 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 126.506 1.922 . . . . 0.0 112.228 173.306 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.63 -43.27 99.49 Favored Glycine 0 CA--C 1.536 1.374 0 CA-C-N 119.317 0.962 . . . . 0.0 112.149 -164.677 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -61.62 -58.93 6.15 Favored 'General case' 0 C--N 1.346 0.428 0 C-N-CA 124.758 1.223 . . . . 0.0 112.377 176.406 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 65.6 m-80 -70.05 -29.54 66.58 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 113.069 0.766 . . . . 0.0 113.069 -174.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.79 -72.97 0.07 Allowed 'General case' 0 C--O 1.215 -0.759 0 CA-C-O 117.844 -1.074 . . . . 0.0 109.906 169.438 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.67 -17.53 55.88 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 114.784 1.401 . . . . 0.0 114.784 -172.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.54 -35.11 79.9 Favored 'General case' 0 CA--C 1.552 1.055 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 166.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 23.9 m120 -110.69 -38.52 5.14 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 115.212 1.56 . . . . 0.0 115.212 -176.726 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.408 ' CG ' ' N ' ' A' ' 34' ' ' ALA . 0.0 OUTLIER -178.63 -126.04 0.0 OUTLIER 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 128.18 2.592 . . . . 0.0 108.554 -154.252 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.482 ' O ' HG23 ' A' ' 35' ' ' THR . . . -126.36 -14.83 5.81 Favored 'General case' 0 CA--C 1.539 0.55 1 C-N-CA 131.831 4.053 . . . . 0.0 111.395 177.775 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.482 HG23 ' O ' ' A' ' 34' ' ' ALA . 7.5 p -158.23 57.95 0.46 Allowed 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 127.67 2.388 . . . . 0.0 112.756 163.444 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 76.68 10.09 86.05 Favored Glycine 0 C--N 1.349 1.277 0 O-C-N 119.231 -2.168 . . . . 0.0 114.437 158.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 68.04 -28.86 0.25 Allowed Glycine 0 CA--C 1.547 2.045 0 C-N-CA 125.194 1.378 . . . . 0.0 114.569 -168.434 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -153.62 7.3 0.36 Allowed 'General case' 0 CA--C 1.558 1.285 0 C-N-CA 126.279 1.832 . . . . 0.0 115.333 -174.038 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . 52.63 19.98 1.39 Allowed 'General case' 0 CA--C 1.553 1.078 0 N-CA-C 116.3 1.963 . . . . 0.0 116.3 -168.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.85 8.51 21.63 Favored Glycine 0 CA--C 1.537 1.462 0 C-N-CA 126.675 2.083 . . . . 0.0 115.198 -179.407 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 31.6 p90 -56.29 -47.2 79.11 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 119.613 1.706 . . . . 0.0 111.31 176.229 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -164.52 3.72 0.03 OUTLIER 'General case' 0 CA--C 1.563 1.452 0 C-N-CA 126.307 1.843 . . . . 0.0 114.352 150.617 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 26.3 pttm -41.75 144.13 0.44 Allowed 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 118.852 2.908 . . . . 0.0 118.852 -92.416 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 71.0 m . . . . . 0 C--O 1.257 1.484 0 C-N-CA 127.94 2.496 . . . . 0.0 112.077 175.627 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 29.5 mmtp . . . . . 0 N--CA 1.492 1.639 0 CA-C-O 117.856 -1.069 . . . . 0.01 110.102 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 35.3 p90 -136.55 16.35 3.14 Favored 'General case' 0 CA--C 1.56 1.337 0 C-N-CA 125.669 1.588 . . . . 0.0 113.32 177.637 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -60.99 116.73 4.72 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 126.462 1.905 . . . . 0.0 114.8 -173.362 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.05 8.22 0.67 Allowed Glycine 0 CA--C 1.547 2.044 0 C-N-CA 124.722 1.153 . . . . 0.0 114.866 154.702 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -147.27 80.73 1.52 Allowed 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 126.053 1.741 . . . . 0.0 111.656 179.644 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 56.38 -24.62 0.01 OUTLIER Glycine 0 CA--C 1.54 1.639 1 C-N-CA 131.637 4.446 . . . . 0.0 118.958 179.046 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -57.78 147.0 6.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 C-N-CA 129.628 3.171 . . . . 0.0 114.421 174.429 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 35.7 m80 -127.06 2.7 6.51 Favored 'General case' 0 N--CA 1.486 1.342 0 N-CA-C 114.331 1.234 . . . . 0.0 114.331 157.21 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.405 ' HB2' ' CA ' ' A' ' 10' ' ' GLY 0.554 14.6 p 144.2 -175.23 0.0 OUTLIER 'General case' 0 C--O 1.212 -0.877 1 C-N-CA 134.053 4.941 . . . . 0.0 116.657 165.734 . . . . . . . . 4 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.405 ' CA ' ' HB2' ' A' ' 9' ' ' CYS . . . 166.27 -157.1 29.42 Favored Glycine 0 C--N 1.34 0.784 2 C-N-CA 133.678 5.418 . . . . 0.0 110.426 10.039 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt -56.53 -5.24 0.19 Allowed 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 116.221 1.934 . . . . 0.0 116.221 171.554 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 71.7 m-70 -137.63 13.49 2.95 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 125.621 1.569 . . . . 0.0 114.756 -179.158 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 52.9 m 52.74 69.59 0.67 Allowed 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 126.829 2.052 . . . . 0.0 112.191 -172.683 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.1 m -67.3 -52.91 34.74 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 127.438 2.295 . . . . 0.0 112.026 177.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -144.85 160.26 41.57 Favored 'General case' 0 N--CA 1.499 2.002 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 152.069 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 91.8 t -131.55 96.7 2.66 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.723 0 C-N-CA 124.661 1.184 . . . . 0.0 112.498 -175.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -72.51 -36.34 68.34 Favored 'General case' 0 CA--C 1.56 1.34 0 CA-C-O 121.902 0.858 . . . . 0.0 111.215 152.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 35.6 p-90 -68.88 23.45 0.03 OUTLIER 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 129.716 3.206 . . . . 0.0 116.229 -177.332 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.37 -24.63 74.97 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 120.019 -1.675 . . . . 0.0 113.849 -176.432 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 36.0 m -65.15 -35.71 81.97 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 117.451 0.625 . . . . 0.0 111.457 170.424 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.25 -51.08 67.63 Favored 'General case' 0 C--N 1.344 0.364 0 CA-C-N 119.02 0.827 . . . . 0.0 112.072 174.11 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 8.5 pt -66.96 -24.14 31.96 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 N-CA-C 114.55 1.315 . . . . 0.0 114.55 173.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.72 -57.78 18.01 Favored Glycine 0 CA--C 1.537 1.416 0 C-N-CA 125.526 1.536 . . . . 0.0 111.691 162.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 85.3 m -52.96 -73.45 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 125.228 1.411 . . . . 0.0 112.387 175.06 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 2.1 mp -34.42 -55.63 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.726 0 C-N-CA 127.861 2.464 . . . . 0.0 113.423 169.387 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -73.54 -65.97 2.11 Favored Glycine 0 CA--C 1.537 1.421 0 O-C-N 120.041 -1.662 . . . . 0.0 116.063 -170.655 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 29.6 m120 -62.61 -42.38 99.54 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 123.978 0.911 . . . . 0.0 110.954 -175.75 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -79.78 -17.15 54.11 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-O 117.076 -1.44 . . . . 0.0 113.726 177.375 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.31 -59.8 4.2 Favored 'General case' 0 CA--C 1.502 -0.896 0 CA-C-N 121.583 1.992 . . . . 0.0 108.877 157.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.93 -22.5 65.66 Favored 'General case' 0 CA--C 1.561 1.4 0 CA-C-N 120.178 1.354 . . . . 0.0 113.625 -174.563 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -73.2 -25.67 60.86 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 115.913 1.82 . . . . 0.0 115.913 168.233 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . 0.253 29.2 p30 -115.94 -23.73 8.44 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 116.698 2.11 . . . . 0.0 116.698 -176.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 175.59 -135.24 0.0 OUTLIER 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 128.471 2.708 . . . . 0.0 109.596 -165.144 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -119.19 8.68 11.55 Favored 'General case' 0 CA--C 1.559 1.297 1 C-N-CA 132.857 4.463 . . . . 0.0 110.084 168.631 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 12.8 p 139.51 86.84 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.386 1 C-N-CA 135.088 5.355 . . . . 0.0 112.231 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 115.14 27.38 3.19 Favored Glycine 0 N--CA 1.475 1.262 0 O-C-N 120.282 -1.511 . . . . 0.0 115.28 147.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.65 -15.25 53.5 Favored Glycine 0 N--CA 1.476 1.363 0 CA-C-O 119.215 -0.769 . . . . 0.0 114.345 167.126 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -151.23 157.42 42.58 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 118.002 0.901 . . . . 0.0 112.658 169.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -80.17 9.28 5.81 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 114.911 1.448 . . . . 0.0 114.911 174.464 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -56.64 -13.64 8.23 Favored Glycine 0 CA--C 1.533 1.173 0 C-N-CA 128.201 2.81 . . . . 0.0 116.62 178.007 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.488 ' CD1' ' C ' ' A' ' 41' ' ' TRP . 0.0 OUTLIER -105.39 -42.59 5.2 Favored 'General case' 0 C--O 1.209 -1.049 0 CA-C-N 118.623 1.211 . . . . 0.0 113.334 150.786 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 46.5 m-80 -53.25 -2.24 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.262 0 N-CA-C 116.983 2.216 . . . . 0.0 116.983 -167.299 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.5 -65.68 0.39 Allowed 'General case' 0 N--CA 1.483 1.198 0 N-CA-C 115.368 1.618 . . . . 0.0 115.368 139.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 41.0 t . . . . . 0 C--O 1.252 1.197 1 C-N-CA 132.234 4.213 . . . . 0.0 112.178 -175.316 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 76.8 tttt . . . . . 0 N--CA 1.487 1.42 0 N-CA-C 110.565 -0.161 . . . . 0.01 110.565 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 72.2 20.29 4.23 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 126.71 2.004 . . . . 0.0 114.119 175.489 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 27.0 t80 -56.26 -50.99 69.79 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 126.204 1.802 . . . . 0.0 112.535 176.196 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 63.79 9.84 35.28 Favored Glycine 0 CA--C 1.531 1.052 0 N-CA-C 117.652 1.821 . . . . 0.0 117.652 164.059 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 10.1 m-80 -102.0 13.2 35.44 Favored 'General case' 0 CA--C 1.56 1.347 0 C-N-CA 125.686 1.594 . . . . 0.0 113.119 -178.57 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 151.62 -15.28 0.82 Allowed Glycine 0 N--CA 1.475 1.276 0 C-N-CA 125.488 1.518 . . . . 0.0 114.587 179.614 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -136.03 159.98 38.86 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.097 0 C-N-CA 127.918 2.487 . . . . 0.0 112.662 -176.477 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.4 p-80 -138.96 136.92 35.92 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 127.806 2.442 . . . . 0.0 111.456 159.049 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 68.7 m -90.93 70.42 6.43 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 124.871 1.268 . . . . 0.0 110.529 174.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -78.58 -73.95 1.07 Allowed Glycine 0 N--CA 1.47 0.922 0 C-N-CA 126.359 1.933 . . . . 0.0 113.505 -173.647 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 57.1 mtmt -70.53 1.05 5.59 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 125.529 1.532 . . . . 0.0 112.421 158.579 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 72.9 4.04 4.86 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 128.299 2.64 . . . . 0.0 115.331 175.284 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 23.7 p -62.34 -16.28 53.37 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.278 1.031 . . . . 0.0 113.577 160.344 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 72.9 m 61.41 81.82 0.18 Allowed 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 127.809 2.444 . . . . 0.0 112.356 177.73 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 18.4 p -133.88 172.32 12.96 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.101 1.36 . . . . 0.0 113.279 -164.404 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.638 HG13 ' H ' ' A' ' 19' ' ' GLY . 8.7 t -14.31 112.11 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 130.266 3.426 . . . . 0.0 115.878 -179.452 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -94.11 -24.4 17.57 Favored 'General case' 0 CA--C 1.563 1.443 0 CA-C-N 114.439 -1.255 . . . . 0.0 112.122 119.719 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 33.2 p-90 -63.34 -19.9 65.03 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 127.905 2.482 . . . . 0.0 116.379 -169.095 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.638 ' H ' HG13 ' A' ' 16' ' ' VAL . . . -52.43 -39.58 52.65 Favored Glycine 0 N--CA 1.475 1.265 0 C-N-CA 125.691 1.615 . . . . 0.0 113.539 -172.838 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 62.1 m -66.58 -45.53 78.96 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.35 1.46 . . . . 0.0 111.362 178.681 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.76 -57.36 12.76 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 125.259 1.424 . . . . 0.0 113.077 178.24 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 40.6 mm -65.64 -30.62 50.69 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.696 0 C-N-CA 124.559 1.143 . . . . 0.0 112.285 176.142 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.69 -47.86 78.86 Favored Glycine 0 CA--C 1.527 0.793 0 O-C-N 120.622 -1.299 . . . . 0.0 113.134 174.224 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.474 ' HB3' ' CD1' ' A' ' 41' ' ' TRP . 68.1 m -54.71 -62.56 1.58 Allowed 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 125.547 1.539 . . . . 0.0 111.222 173.346 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 52.7 mt -33.67 -66.3 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 126.817 2.047 . . . . 0.0 112.069 164.522 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -54.49 -52.24 46.34 Favored Glycine 0 CA--C 1.538 1.52 0 CA-C-N 119.757 1.162 . . . . 0.0 115.08 -171.185 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 45.4 t30 -61.64 -66.14 0.58 Allowed 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 124.174 0.99 . . . . 0.0 113.182 -178.411 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -79.48 -13.39 59.6 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 120.763 -1.21 . . . . 0.0 113.386 -174.448 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.91 -46.49 84.58 Favored 'General case' 0 C--N 1.347 0.463 0 CA-C-N 121.309 1.868 . . . . 0.0 112.675 160.429 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.3 -24.68 66.59 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 120.925 1.693 . . . . 0.0 113.068 179.511 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.36 -49.25 67.54 Favored 'General case' 0 CA--C 1.555 1.136 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 163.527 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -67.22 -50.99 58.65 Favored 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 126.175 1.79 . . . . 0.0 114.321 -177.627 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 172.92 -122.3 0.0 OUTLIER 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 127.747 2.419 . . . . 0.0 110.095 -137.705 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -145.13 -34.15 0.35 Allowed 'General case' 0 CA--C 1.547 0.85 1 C-N-CA 133.052 4.541 . . . . 0.0 110.325 -175.233 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -159.93 94.91 1.15 Allowed 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 128.673 2.789 . . . . 0.0 111.65 152.772 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 99.25 36.56 4.36 Favored Glycine 0 N--CA 1.47 0.955 0 C-N-CA 118.709 -1.71 . . . . 0.0 115.149 143.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -54.27 -17.66 8.37 Favored Glycine 0 CA--C 1.545 1.968 0 CA-C-N 118.053 0.926 . . . . 0.0 112.775 159.549 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 59.9 t30 -150.96 166.33 30.99 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.988 1.315 . . . . 0.0 113.28 167.02 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -76.88 20.3 0.25 Allowed 'General case' 0 CA--C 1.558 1.252 0 C-N-CA 127.399 2.28 . . . . 0.0 113.428 170.538 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -53.31 -32.25 43.96 Favored Glycine 0 CA--C 1.523 0.574 0 C-N-CA 127.194 2.33 . . . . 0.0 114.764 -178.518 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.475 ' CD1' ' C ' ' A' ' 41' ' ' TRP . 0.1 OUTLIER -97.62 -38.19 9.63 Favored 'General case' 0 C--O 1.217 -0.651 0 CA-C-O 117.603 -1.189 . . . . 0.0 112.661 156.228 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . 0.252 1.1 t-20 -57.14 2.25 0.03 OUTLIER 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 116.735 2.124 . . . . 0.0 116.735 -163.42 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.53 -45.09 2.2 Favored 'General case' 0 CA--C 1.551 0.982 0 N-CA-C 116.929 2.196 . . . . 0.0 116.929 141.24 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 65.5 m . . . . . 0 C--O 1.251 1.15 0 C-N-CA 125.099 1.359 . . . . 0.0 112.832 -175.032 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . 0.255 30.4 mmtt . . . . . 0 N--CA 1.49 1.574 0 CA-C-O 118.544 -0.741 . . . . 0.01 111.402 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -65.27 -24.59 67.35 Favored 'General case' 0 N--CA 1.484 1.265 0 CA-C-N 120.644 1.565 . . . . 0.0 114.051 -158.674 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 6.8 p90 -66.98 -20.74 65.94 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 127.714 2.406 . . . . 0.0 115.36 173.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 106.56 -150.33 16.79 Favored Glycine 0 CA--C 1.539 1.579 0 C-N-CA 124.641 1.115 . . . . 0.0 113.172 -166.702 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -80.03 -22.02 42.86 Favored 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 114.964 1.468 . . . . 0.0 114.964 -179.474 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -80.26 -161.86 25.17 Favored Glycine 0 CA--C 1.525 0.681 0 C-N-CA 126.679 2.085 . . . . 0.0 115.824 -173.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.799 HG13 ' H ' ' A' ' 8' ' ' HIS 0.481 2.9 p 49.6 -95.96 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 N-CA-C 119.361 3.097 . . . . 0.0 119.361 167.859 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.799 ' H ' HG13 ' A' ' 7' ' ' VAL . 2.1 m-70 97.07 99.11 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.888 1 C-N-CA 135.933 5.693 . . . . 0.0 109.55 -173.607 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 88.8 m -45.1 123.48 3.95 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 124.424 1.09 . . . . 0.0 110.278 179.641 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -105.95 3.34 38.48 Favored Glycine 0 N--CA 1.481 1.673 0 CA-C-N 119.74 1.155 . . . . 0.0 115.842 -160.009 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp 61.46 -26.33 0.05 OUTLIER 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 128.286 2.634 . . . . 0.0 115.627 -162.197 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -39.49 -53.12 2.1 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 128.765 2.826 . . . . 0.0 113.139 150.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 68.0 p 172.47 -169.67 0.03 OUTLIER 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 130.182 3.393 . . . . 0.0 107.003 -164.136 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 24.6 t -152.97 159.44 42.94 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 123.509 0.724 . . . . 0.0 109.364 166.717 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -142.86 -133.81 0.09 Allowed 'General case' 0 N--CA 1.493 1.689 0 C-N-CA 120.72 -0.392 . . . . 0.0 112.004 -177.269 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.4 p -146.19 -1.19 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.247 0 C-N-CA 127.22 2.208 . . . . 0.0 114.294 175.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.7 t70 102.34 -18.23 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.237 1 C-N-CA 132.971 4.509 . . . . 0.0 110.687 -177.281 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 14.4 p-90 -154.04 7.92 0.34 Allowed 'General case' 0 CA--C 1.554 1.135 0 N-CA-C 116.904 2.187 . . . . 0.0 116.904 -165.701 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -70.86 -40.04 64.28 Favored Glycine 0 CA--C 1.532 1.141 0 O-C-N 119.987 -1.696 . . . . 0.0 109.801 175.475 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.1 p -66.58 -31.89 72.88 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 125.414 1.486 . . . . 0.0 112.891 167.36 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.51 -51.21 70.41 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 125.052 1.341 . . . . 0.0 110.745 172.716 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 18.5 mm -62.25 -39.36 83.81 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.899 0 C-N-CA 123.729 0.812 . . . . 0.0 111.677 172.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.91 -46.91 91.89 Favored Glycine 0 CA--C 1.535 1.284 0 C-N-CA 123.824 0.726 . . . . 0.0 113.294 175.194 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 7.0 t -55.74 -74.08 0.05 OUTLIER 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 126.639 1.976 . . . . 0.0 111.07 169.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.7 mp -46.93 -40.37 4.94 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 C-N-CA 125.043 1.337 . . . . 0.0 112.595 -179.58 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -66.86 -53.9 24.7 Favored Glycine 0 CA--C 1.539 1.583 0 CA-C-N 121.795 2.088 . . . . 0.0 114.577 177.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -63.9 -44.07 94.11 Favored 'General case' 0 CA--C 1.54 0.563 0 O-C-N 121.207 -1.173 . . . . 0.0 111.517 178.058 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 27.2 m120 -67.24 -34.91 78.45 Favored 'General case' 0 CA--C 1.549 0.911 0 CA-C-O 118.06 -0.972 . . . . 0.0 113.135 176.606 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -51.37 -60.3 3.28 Favored 'General case' 0 C--O 1.216 -0.691 0 CA-C-N 120.246 1.385 . . . . 0.0 109.822 168.326 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.76 -21.86 66.62 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 120.399 1.454 . . . . 0.0 113.982 -177.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.21 -23.17 62.89 Favored 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 114.66 1.356 . . . . 0.0 114.66 169.167 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 9.9 p30 -107.31 -26.61 10.94 Favored 'General case' 0 C--O 1.24 0.593 0 N-CA-C 116.187 1.921 . . . . 0.0 116.187 176.429 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.446 ' CG ' ' N ' ' A' ' 34' ' ' ALA . 2.0 t-105 146.04 -101.61 0.0 OUTLIER 'General case' 0 CA--C 1.565 1.519 0 C-N-CA 130.368 3.467 . . . . 0.0 111.068 -156.535 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.446 ' N ' ' CG ' ' A' ' 33' ' ' TRP . . . -154.84 43.49 0.49 Allowed 'General case' 0 CA--C 1.563 1.445 0 C-N-CA 130.742 3.617 . . . . 0.0 107.365 -172.113 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . 0.356 6.5 t 56.09 79.86 0.16 Allowed 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 129.032 2.933 . . . . 0.0 112.055 -163.363 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -179.86 -15.47 0.03 OUTLIER Glycine 0 N--CA 1.472 1.048 0 CA-C-O 118.208 -1.329 . . . . 0.0 115.953 170.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -53.62 -56.31 20.81 Favored Glycine 0 CA--C 1.539 1.57 0 CA-C-N 119.832 1.816 . . . . 0.0 113.21 172.707 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.6 p-10 -164.29 145.68 8.48 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 127.111 2.164 . . . . 0.0 111.667 176.419 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -82.72 -17.21 45.14 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 125.46 1.504 . . . . 0.0 113.459 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -59.88 8.62 0.05 OUTLIER Glycine 0 CA--C 1.536 1.347 0 C-N-CA 126.873 2.178 . . . . 0.0 115.72 173.708 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 1.7 p90 -48.21 -41.46 27.33 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 127.76 2.424 . . . . 0.0 113.177 168.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 147.49 8.26 0.0 OUTLIER 'General case' 0 CA--C 1.557 1.217 1 C-N-CA 135.46 5.504 . . . . 0.0 113.651 -174.961 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 19.9 ptmt 1.28 82.38 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 129.745 3.218 . . . . 0.0 115.315 -174.182 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 8.9 p . . . . . 0 C--O 1.257 1.473 0 CA-C-N 113.632 -1.622 . . . . 0.0 113.937 -162.32 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 76.4 tttt . . . . . 0 N--CA 1.494 1.741 0 CA-C-O 118.789 -0.624 . . . . 0.01 111.621 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 46.0 p90 -130.79 21.73 5.01 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 114.798 1.407 . . . . 0.0 114.798 -175.62 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 71.1 t80 -34.77 114.6 0.23 Allowed 'General case' 0 C--N 1.354 0.802 0 N-CA-C 116.892 2.182 . . . . 0.0 116.892 -174.713 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.23 -75.47 1.3 Allowed Glycine 0 C--N 1.334 0.47 0 C-N-CA 127.003 2.239 . . . . 0.0 112.902 164.65 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -141.07 -6.79 1.07 Allowed 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 127.324 2.25 . . . . 0.0 113.837 175.342 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -135.18 -26.62 0.49 Allowed Glycine 0 N--CA 1.471 0.979 0 N-CA-C 116.965 1.546 . . . . 0.0 116.965 -162.026 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -64.97 157.63 5.02 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 CA-C-N 120.201 2.0 . . . . 0.0 112.514 -179.095 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -156.89 89.11 1.07 Allowed 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 127.865 2.466 . . . . 0.0 107.76 158.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.547 ' HB2' ' H ' ' A' ' 15' ' ' THR . 15.4 t -142.99 158.34 43.69 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.959 1.304 . . . . 0.0 112.142 -177.511 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -94.43 -110.51 2.26 Favored Glycine 0 N--CA 1.471 1.011 0 C-N-CA 126.223 1.868 . . . . 0.0 112.764 -178.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -106.1 -4.7 20.08 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 125.144 1.378 . . . . 0.0 111.998 175.053 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 5.5 t-80 -116.13 -124.69 0.29 Allowed 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.664 1.186 . . . . 0.0 112.257 -161.736 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 38.5 m -137.26 81.99 1.9 Allowed 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 126.834 2.054 . . . . 0.0 109.928 -165.408 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -128.32 -66.39 0.85 Allowed 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.19 1.396 . . . . 0.0 112.582 -166.736 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.547 ' H ' ' HB2' ' A' ' 9' ' ' CYS 0.272 42.6 p 54.04 -174.78 0.04 OUTLIER 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 129.311 3.044 . . . . 0.0 116.817 155.9 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.453 ' CA ' ' HB ' ' A' ' 15' ' ' THR . 8.0 p -140.42 128.82 25.18 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 2 C-N-CA 137.557 6.343 . . . . 0.0 111.313 4.265 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -62.73 -46.01 90.07 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 127.72 2.408 . . . . 0.0 114.275 177.469 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 34.1 p-90 -83.31 9.5 10.73 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 128.138 2.575 . . . . 0.0 114.262 178.04 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -60.16 -19.56 52.05 Favored Glycine 0 CA--C 1.529 0.939 0 C-N-CA 123.499 0.571 . . . . 0.0 114.337 173.191 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 29.2 p -60.79 -44.93 96.19 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 118.69 1.245 . . . . 0.0 113.339 168.426 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.94 -53.81 18.83 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 124.893 1.277 . . . . 0.0 112.191 177.094 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 21.8 pt -68.86 -17.22 21.79 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 N-CA-C 114.329 1.233 . . . . 0.0 114.329 176.44 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -82.7 -37.87 12.95 Favored Glycine 0 C--N 1.342 0.873 0 C-N-CA 125.05 1.31 . . . . 0.0 113.6 170.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 53.3 t -54.08 -52.16 61.84 Favored 'General case' 0 C--O 1.246 0.92 0 C-N-CA 125.162 1.385 . . . . 0.0 110.373 165.048 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.3 mp -53.06 -56.64 6.98 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.785 0 C-N-CA 123.629 0.771 . . . . 0.0 111.629 166.13 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.23 -44.47 84.19 Favored Glycine 0 CA--C 1.531 1.075 0 C-N-CA 125.381 1.467 . . . . 0.0 113.628 -169.342 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 50.3 m-80 -64.7 -55.61 18.94 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 112.767 0.655 . . . . 0.0 112.767 173.574 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 69.8 m-80 -74.12 -26.58 60.42 Favored 'General case' 0 CA--C 1.551 1.014 0 N-CA-C 114.539 1.311 . . . . 0.0 114.539 -172.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.61 -72.67 0.07 Allowed 'General case' 0 C--O 1.206 -1.207 0 CA-C-O 116.598 -1.668 . . . . 0.0 109.548 158.277 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.92 -9.27 28.03 Favored 'General case' 0 CA--C 1.553 1.072 0 CA-C-N 123.637 2.926 . . . . 0.0 115.656 -167.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.91 -61.08 2.65 Favored 'General case' 0 CA--C 1.547 0.845 0 O-C-N 120.406 -1.433 . . . . 0.0 112.915 154.456 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -153.28 94.08 1.78 Allowed 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 126.421 1.888 . . . . 0.0 110.619 170.678 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -153.35 -55.46 0.12 Allowed 'General case' 0 CA--C 1.554 1.128 0 C-N-CA 130.678 3.591 . . . . 0.0 108.653 2.793 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -143.96 68.78 1.27 Allowed 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 128.695 2.798 . . . . 0.0 107.607 169.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 41.6 p 44.33 44.4 6.71 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 126.371 1.868 . . . . 0.0 114.341 -164.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -158.96 -10.37 0.05 OUTLIER Glycine 0 N--CA 1.476 1.353 0 N-CA-C 118.791 2.276 . . . . 0.0 118.791 -175.499 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -73.06 -29.08 65.28 Favored Glycine 0 CA--C 1.532 1.119 0 CA-C-N 119.762 1.781 . . . . 0.0 114.542 177.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -144.05 -48.62 0.28 Allowed 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 115.684 1.735 . . . . 0.0 115.684 178.297 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . 58.9 -26.36 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 129.233 3.013 . . . . 0.0 116.96 -172.321 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -67.25 11.03 0.79 Allowed Glycine 0 CA--C 1.54 1.598 0 C-N-CA 126.151 1.834 . . . . 0.0 114.099 170.687 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 2.2 p90 -57.84 -54.81 42.74 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 126.953 2.101 . . . . 0.0 109.405 178.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 21.5 p30 -162.77 0.18 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 128.85 2.86 . . . . 0.0 113.779 163.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 25.2 pttm -27.81 138.95 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.289 0 N-CA-C 118.864 2.913 . . . . 0.0 118.864 -114.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.3 m . . . . . 0 C--O 1.257 1.448 0 CA-C-N 114.148 -1.387 . . . . 0.0 113.976 -157.684 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt . . . . . 0 N--CA 1.496 1.846 0 CA-C-O 119.257 -0.401 . . . . 0.01 111.497 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 55.2 m-85 85.46 95.06 0.03 OUTLIER 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 128.618 2.767 . . . . 0.0 111.924 171.164 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -135.21 -69.06 0.51 Allowed 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 125.851 1.661 . . . . 0.0 111.327 -175.504 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.72 12.66 83.98 Favored Glycine 0 N--CA 1.474 1.213 0 N-CA-C 117.44 1.736 . . . . 0.0 117.44 163.068 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -116.31 17.23 15.67 Favored 'General case' 0 CA--C 1.555 1.152 0 C-N-CA 125.88 1.672 . . . . 0.0 112.008 175.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 141.53 -155.61 25.35 Favored Glycine 0 CA--C 1.534 1.243 0 C-N-CA 127.266 2.365 . . . . 0.0 109.841 -161.646 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -20.84 136.2 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 C-N-CA 130.382 3.473 . . . . 0.0 117.336 176.507 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 49.4 m80 -114.99 152.98 31.47 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 125.429 1.491 . . . . 0.0 110.984 175.283 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 8.6 t -142.19 140.6 32.41 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 126.646 1.978 . . . . 0.0 111.419 -177.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -86.46 -104.31 0.78 Allowed Glycine 0 C--N 1.343 0.937 0 N-CA-C 109.095 -1.602 . . . . 0.0 109.095 167.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -115.93 -0.22 12.88 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.687 1.595 . . . . 0.0 113.279 167.078 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 18.3 t-80 -102.35 -82.91 0.47 Allowed 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 114.724 1.379 . . . . 0.0 114.724 -155.516 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.6 m -129.97 -7.85 4.42 Favored 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 116.067 1.877 . . . . 0.0 116.067 -166.387 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 36.8 m 54.28 92.68 0.02 OUTLIER 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 128.149 2.58 . . . . 0.0 113.622 177.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 16.7 p -121.64 -55.78 1.9 Allowed 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 115.478 1.658 . . . . 0.0 115.478 -148.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.539 HG13 ' H ' ' A' ' 19' ' ' GLY . 2.1 t -135.13 130.2 51.32 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 N-CA-C 113.85 1.055 . . . . 0.0 113.85 -152.195 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -128.09 -27.46 2.73 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-N 114.824 -1.08 . . . . 0.0 110.51 143.775 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 64.3 p-90 -53.47 -6.28 0.07 Allowed 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 129.975 3.31 . . . . 0.0 116.284 167.457 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.539 ' H ' HG13 ' A' ' 16' ' ' VAL . . . -52.03 -30.49 30.66 Favored Glycine 0 N--CA 1.473 1.117 0 C-N-CA 125.577 1.561 . . . . 0.0 113.648 162.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 36.3 p -59.29 -42.74 92.02 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 126.573 1.949 . . . . 0.0 112.42 170.057 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.08 -42.86 93.69 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.89 0.876 . . . . 0.0 112.345 175.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.0 mt -57.88 -49.52 80.81 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 122.987 0.515 . . . . 0.0 110.942 172.033 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.88 -40.43 98.84 Favored Glycine 0 N--CA 1.472 1.036 0 C-N-CA 123.826 0.727 . . . . 0.0 113.001 179.317 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 27.9 t -60.33 -52.37 65.56 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.219 1.408 . . . . 0.0 112.387 175.246 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.4 mp -52.68 -48.03 49.26 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 C-N-CA 125.204 1.402 . . . . 0.0 112.542 166.612 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -68.18 -41.31 86.85 Favored Glycine 0 CA--C 1.527 0.821 0 CA-C-N 119.64 1.109 . . . . 0.0 115.568 -173.054 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 19.6 t30 -59.92 -53.22 60.43 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.488 1.115 . . . . 0.0 110.622 173.034 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 67.4 m-80 -73.23 -23.75 60.4 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 114.382 1.253 . . . . 0.0 114.382 -178.121 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.21 -55.59 32.76 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 117.823 -1.084 . . . . 0.0 109.98 164.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.55 -26.17 68.3 Favored 'General case' 0 CA--C 1.561 1.387 0 CA-C-N 120.575 1.534 . . . . 0.0 113.349 -178.225 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.07 -45.81 79.97 Favored 'General case' 0 CA--C 1.547 0.849 0 O-C-N 121.248 -0.907 . . . . 0.0 113.356 167.56 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.68 -54.06 37.59 Favored 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 125.613 1.565 . . . . 0.0 114.487 175.159 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.4 ' CG ' ' N ' ' A' ' 34' ' ' ALA . 0.0 OUTLIER 157.86 -118.05 0.0 OUTLIER 'General case' 0 CA--C 1.564 1.5 0 C-N-CA 128.196 2.598 . . . . 0.0 110.231 -129.594 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.4 ' N ' ' CG ' ' A' ' 33' ' ' TRP . . . -146.22 9.87 1.12 Allowed 'General case' 0 CA--C 1.56 1.361 1 C-N-CA 132.053 4.141 . . . . 0.0 111.205 -179.023 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 22.0 p 118.84 100.49 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.787 1 C-N-CA 134.691 5.197 . . . . 0.0 110.218 -171.188 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 139.76 -16.29 3.07 Favored Glycine 0 N--CA 1.482 1.757 0 N-CA-C 116.312 1.285 . . . . 0.0 116.312 160.09 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -51.63 -39.63 46.33 Favored Glycine 0 CA--C 1.542 1.777 0 CA-C-N 120.139 1.97 . . . . 0.0 114.262 178.573 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -156.19 98.49 1.87 Allowed 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 125.907 1.683 . . . . 0.0 110.576 169.734 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.97 -19.67 63.04 Favored 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 174.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -58.74 6.62 0.04 OUTLIER Glycine 0 CA--C 1.551 2.32 0 C-N-CA 126.698 2.094 . . . . 0.0 114.786 164.558 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 1.5 p90 -50.61 -43.25 56.76 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 126.487 1.915 . . . . 0.0 112.642 172.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 149.66 25.34 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.969 1 C-N-CA 133.835 4.854 . . . . 0.0 111.461 -179.425 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 63.0 pttt -24.34 108.21 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 128.273 2.629 . . . . 0.0 116.392 -162.452 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 3.9 m . . . . . 0 C--O 1.252 1.2 0 CA-C-N 113.955 -1.475 . . . . 0.0 114.132 -151.667 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 9.4 ptpp? . . . . . 0 N--CA 1.483 1.219 0 N-CA-C 112.263 0.468 . . . . 0.01 112.263 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 72.84 14.06 4.97 Favored 'General case' 0 N--CA 1.492 1.641 0 C-N-CA 128.181 2.592 . . . . 0.0 115.42 178.233 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -62.76 -50.32 71.5 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 126.083 1.753 . . . . 0.0 110.943 172.363 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 56.27 85.42 0.03 OUTLIER Glycine 0 C--N 1.347 1.148 0 C-N-CA 127.035 2.255 . . . . 0.0 117.737 164.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -118.29 -77.95 0.58 Allowed 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.591 1.156 . . . . 0.0 109.473 164.041 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -119.03 -45.01 0.47 Allowed Glycine 0 N--CA 1.475 1.262 0 C-N-CA 125.99 1.757 . . . . 0.0 109.943 157.437 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -62.62 163.51 1.46 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.674 0 C-N-CA 127.876 2.47 . . . . 0.0 115.008 165.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 43.8 m-70 33.57 77.64 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 130.868 3.667 . . . . 0.0 114.581 167.468 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.2 m -102.35 -86.2 0.43 Allowed 'General case' 0 C--N 1.347 0.482 0 C-N-CA 123.311 0.644 . . . . 0.0 112.049 172.307 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 133.59 -140.66 11.99 Favored Glycine 0 CA--C 1.533 1.206 0 C-N-CA 125.552 1.549 . . . . 0.0 110.949 -164.073 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -57.75 -21.11 39.51 Favored 'General case' 0 N--CA 1.483 1.186 0 N-CA-C 114.251 1.204 . . . . 0.0 114.251 174.236 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -65.98 -9.74 32.91 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 116.38 1.993 . . . . 0.0 116.38 172.278 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.8 m 76.69 5.52 3.44 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 127.994 2.518 . . . . 0.0 116.997 168.014 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -66.12 -87.0 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 119.701 1.137 . . . . 0.0 110.8 172.783 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.1 m 61.01 -60.25 0.08 Allowed 'General case' 0 N--CA 1.485 1.316 0 N-CA-C 116.678 2.103 . . . . 0.0 116.678 166.213 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 47.9 t -119.95 83.16 0.76 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 C-N-CA 126.609 1.963 . . . . 0.0 112.495 -175.309 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -74.51 -27.76 60.68 Favored 'General case' 0 CA--C 1.554 1.128 0 CA-C-N 115.122 -0.945 . . . . 0.0 111.455 141.022 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 45.1 p-90 -76.85 11.33 1.77 Allowed 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 115.286 1.587 . . . . 0.0 115.286 -171.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.47 -22.8 75.12 Favored Glycine 0 CA--C 1.543 1.84 0 O-C-N 119.603 -1.936 . . . . 0.0 111.922 173.755 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 13.4 m -66.01 -32.02 73.25 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 121.391 -1.064 . . . . 0.0 112.373 165.677 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.77 -41.24 92.3 Favored 'General case' 0 CA--C 1.535 0.375 0 O-C-N 120.142 -1.599 . . . . 0.0 111.802 171.131 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 6.9 mm -59.61 -44.07 92.53 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 O-C-N 120.855 -1.153 . . . . 0.0 112.436 170.794 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.92 -46.6 93.24 Favored Glycine 0 CA--C 1.533 1.174 0 C-N-CA 123.591 0.615 . . . . 0.0 111.672 177.172 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 50.1 t -54.46 -64.84 0.7 Allowed 'General case' 0 CA--C 1.554 1.106 0 C-N-CA 126.996 2.118 . . . . 0.0 112.232 174.611 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.7 mp -53.74 -48.76 60.48 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.108 0 C-N-CA 124.538 1.135 . . . . 0.0 111.468 175.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.79 -51.15 57.09 Favored Glycine 0 CA--C 1.535 1.335 0 C-N-CA 124.623 1.106 . . . . 0.0 112.518 -173.022 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -66.62 -53.2 36.76 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 123.398 0.679 . . . . 0.0 111.997 177.297 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 68.5 m-80 -72.64 -38.95 67.55 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 121.049 -1.032 . . . . 0.0 112.589 -170.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.98 -37.58 88.12 Favored 'General case' 0 C--O 1.214 -0.794 0 O-C-N 120.135 -1.603 . . . . 0.0 112.258 169.165 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.0 -24.0 66.77 Favored 'General case' 0 CA--C 1.553 1.091 0 CA-C-N 121.551 1.978 . . . . 0.0 112.805 175.166 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.83 -21.94 50.72 Favored 'General case' 0 CA--C 1.557 1.212 0 N-CA-C 114.713 1.375 . . . . 0.0 114.713 165.362 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 54.6 m-80 -110.03 -4.95 15.57 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 117.154 2.279 . . . . 0.0 117.154 -176.207 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 147.26 -106.33 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.239 1 C-N-CA 132.193 4.197 . . . . 0.0 109.853 -162.746 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -165.0 -33.99 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.43 1 C-N-CA 132.239 4.216 . . . . 0.0 109.55 -173.738 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 17.6 p -139.85 65.28 1.43 Allowed 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 126.4 1.88 . . . . 0.0 112.1 151.281 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 76.87 84.33 0.47 Allowed Glycine 0 CA--C 1.54 1.624 0 CA-C-O 122.684 1.158 . . . . 0.0 115.487 153.791 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -58.06 -9.16 5.34 Favored Glycine 0 CA--C 1.547 2.042 0 CA-C-N 114.421 -0.889 . . . . 0.0 113.128 142.566 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -155.02 170.53 21.57 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 126.314 1.846 . . . . 0.0 109.592 170.108 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -132.49 -7.65 3.28 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.231 1.412 . . . . 0.0 114.094 176.652 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -72.64 14.07 2.73 Favored Glycine 0 CA--C 1.53 1.013 0 C-N-CA 126.405 1.955 . . . . 0.0 116.235 -179.358 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 19.4 p90 -49.91 -62.2 1.7 Allowed 'General case' 0 C--N 1.343 0.319 0 C-N-CA 126.297 1.839 . . . . 0.0 111.016 175.464 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -152.51 12.29 0.53 Allowed 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 128.314 2.645 . . . . 0.0 111.501 154.549 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt 46.77 173.13 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 125.9 1.68 . . . . 0.0 114.123 -141.744 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 58.1 m . . . . . 0 C--O 1.253 1.272 0 CA-C-O 118.089 -0.958 . . . . 0.0 111.055 125.047 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 9.8 tptp . . . . . 0 N--CA 1.494 1.728 0 CA-C-O 119.39 -0.338 . . . . 0.01 110.636 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -134.76 8.75 3.57 Favored 'General case' 0 CA--C 1.554 1.105 0 C-N-CA 125.949 1.7 . . . . 0.0 114.377 -168.654 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -75.04 -7.38 53.53 Favored 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 117.29 2.33 . . . . 0.0 117.29 -172.296 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 84.38 100.82 0.61 Allowed Glycine 0 CA--C 1.54 1.596 0 C-N-CA 124.957 1.265 . . . . 0.0 110.406 -169.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -63.39 10.57 0.04 OUTLIER 'General case' 0 N--CA 1.485 1.282 0 N-CA-C 118.465 2.765 . . . . 0.0 118.465 -160.574 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -74.92 -44.05 25.54 Favored Glycine 0 CA--C 1.539 1.578 0 CA-C-N 120.005 1.275 . . . . 0.0 111.541 161.034 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.0 t -68.06 152.28 9.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 C-N-CA 126.428 1.891 . . . . 0.0 110.989 157.637 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 4.1 m80 -140.35 106.63 5.26 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 124.342 1.057 . . . . 0.0 109.627 165.527 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 72.9 m -81.35 164.65 21.99 Favored 'General case' 0 CA--C 1.551 0.991 0 O-C-N 121.312 -0.868 . . . . 0.0 110.371 164.512 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 164.5 -160.82 33.97 Favored Glycine 0 N--CA 1.479 1.51 0 C-N-CA 124.298 0.951 . . . . 0.0 110.991 -173.244 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -72.01 40.97 0.08 Allowed 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 125.854 1.662 . . . . 0.0 112.047 167.169 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -131.32 -118.2 0.22 Allowed 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 127.572 2.349 . . . . 0.0 110.476 178.406 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 27.9 m -137.97 1.75 2.3 Favored 'General case' 0 CA--C 1.558 1.276 0 N-CA-C 114.527 1.306 . . . . 0.0 114.527 -168.395 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 92.4 m 62.95 86.71 0.11 Allowed 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 125.711 1.604 . . . . 0.0 109.556 -159.797 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 72.6 p -71.5 170.86 12.43 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 125.014 1.326 . . . . 0.0 112.046 -176.046 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.41 HG13 ' H ' ' A' ' 19' ' ' GLY . 37.7 t -99.71 115.51 40.83 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 N-CA-C 115.362 1.616 . . . . 0.0 115.362 -156.494 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -99.8 -24.04 14.8 Favored 'General case' 0 CA--C 1.552 1.041 0 CA-C-N 114.123 -1.399 . . . . 0.0 112.689 118.743 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 55.7 p-90 -59.83 -43.6 94.5 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 124.543 1.137 . . . . 0.0 113.606 -174.202 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.41 ' H ' HG13 ' A' ' 16' ' ' VAL . . . -73.07 -16.27 78.5 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 114.823 0.689 . . . . 0.0 114.823 178.517 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 23.0 m -73.8 -41.31 62.53 Favored 'General case' 0 N--CA 1.476 0.843 0 O-C-N 121.025 -1.279 . . . . 0.0 111.074 167.352 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.64 -54.63 44.17 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.184 0.994 . . . . 0.0 111.868 174.618 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 7.5 pt -68.59 -25.85 31.86 Favored 'Isoleucine or valine' 0 C--N 1.348 0.513 0 CA-C-N 119.12 0.873 . . . . 0.0 112.738 174.71 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.18 -50.61 65.94 Favored Glycine 0 CA--C 1.547 2.085 0 C-N-CA 124.502 1.049 . . . . 0.0 111.567 171.219 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 70.9 m -56.48 -70.2 0.13 Allowed 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.864 0.865 . . . . 0.0 111.281 171.102 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.7 mp -52.04 -42.41 34.56 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 C-N-CA 124.615 1.166 . . . . 0.0 111.407 -173.326 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.3 -58.66 13.27 Favored Glycine 0 CA--C 1.538 1.524 0 O-C-N 120.963 -1.085 . . . . 0.0 114.052 177.39 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 36.2 t30 -64.61 -51.73 61.15 Favored 'General case' 0 C--O 1.241 0.64 0 C-N-CA 123.567 0.747 . . . . 0.0 112.641 178.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -63.89 -40.8 97.36 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.432 1.093 . . . . 0.0 111.661 -177.348 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.83 -38.71 83.56 Favored 'General case' 0 C--O 1.217 -0.616 0 O-C-N 120.421 -1.424 . . . . 0.0 113.051 171.684 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.6 -24.52 66.74 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 120.167 1.349 . . . . 0.0 112.883 178.578 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -74.85 -40.72 60.85 Favored 'General case' 0 CA--C 1.552 1.039 0 N-CA-C 114.293 1.219 . . . . 0.0 114.293 166.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 34.2 m-80 -74.01 -42.3 60.56 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 125.386 1.475 . . . . 0.0 114.231 -179.349 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 170.8 -113.43 0.0 OUTLIER 'General case' 0 CA--C 1.557 1.247 0 C-N-CA 127.989 2.516 . . . . 0.0 108.783 -147.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -154.19 -39.04 0.09 Allowed 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 131.575 3.95 . . . . 0.0 109.28 -171.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 16.7 p -146.18 81.55 1.59 Allowed 'General case' 0 C--N 1.349 0.587 0 C-N-CA 127.595 2.358 . . . . 0.0 111.825 150.727 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 79.79 71.43 1.26 Allowed Glycine 0 C--N 1.346 1.101 0 C-N-CA 118.83 -1.652 . . . . 0.0 114.16 148.213 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -58.84 -6.54 3.81 Favored Glycine 0 CA--C 1.552 2.368 0 CA-C-O 119.734 -0.481 . . . . 0.0 113.137 146.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -150.31 178.8 8.67 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 125.287 1.435 . . . . 0.0 111.365 164.623 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -130.63 -20.26 2.92 Favored 'General case' 0 CA--C 1.559 1.298 0 C-N-CA 125.872 1.669 . . . . 0.0 113.573 170.663 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -66.98 20.66 0.21 Allowed Glycine 0 CA--C 1.538 1.504 0 O-C-N 120.059 -1.651 . . . . 0.0 115.201 169.303 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 6.1 p90 -55.41 -45.53 76.71 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.657 1.583 . . . . 0.0 112.01 167.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 153.13 20.28 0.0 OUTLIER 'General case' 0 CA--C 1.555 1.159 1 C-N-CA 133.855 4.862 . . . . 0.0 111.794 -175.649 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 20.7 pttp -15.05 94.5 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.949 0 C-N-CA 127.639 2.376 . . . . 0.0 116.443 -172.574 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 68.1 m . . . . . 0 C--O 1.258 1.537 0 CA-C-O 117.8 -1.095 . . . . 0.0 113.357 -162.471 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 121.479 0.657 . . . . 0.01 112.703 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 -132.66 14.24 4.43 Favored 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 115.076 1.51 . . . . 0.0 115.076 -172.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 29.0 t80 -47.36 -55.94 7.86 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 127.841 2.456 . . . . 0.0 114.552 -176.636 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.72 171.99 16.56 Favored Glycine 0 CA--C 1.538 1.514 0 C-N-CA 125.802 1.668 . . . . 0.0 113.056 -176.792 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 59.84 -22.91 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 129.5 3.12 . . . . 0.0 116.115 -174.533 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 113.77 1.55 24.2 Favored Glycine 0 CA--C 1.532 1.141 0 C-N-CA 127.923 2.677 . . . . 0.0 112.725 -171.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -61.86 148.24 10.27 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 CA-C-N 118.982 1.391 . . . . 0.0 111.371 173.158 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.3 p-80 -141.42 108.69 5.52 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 125.479 1.512 . . . . 0.0 111.982 -175.655 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 57.2 m -77.22 164.89 25.2 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.055 0.942 . . . . 0.0 112.123 168.268 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -154.17 16.58 0.6 Allowed Glycine 0 CA--C 1.528 0.856 0 C-N-CA 125.549 1.547 . . . . 0.0 115.486 -169.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 30.5 mtpp 52.2 27.13 4.4 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 126.283 1.833 . . . . 0.0 114.792 -167.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 38.0 m-70 -116.33 -87.7 0.6 Allowed 'General case' 0 C--O 1.235 0.311 0 C-N-CA 125.616 1.566 . . . . 0.0 111.487 172.127 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 49.7 m -133.08 -12.26 2.86 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 125.657 1.583 . . . . 0.0 114.013 -178.146 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 8.4 m 65.66 158.97 0.11 Allowed 'General case' 0 C--O 1.24 0.566 0 C-N-CA 128.002 2.521 . . . . 0.0 112.717 -170.255 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.2 m -142.92 147.91 36.05 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.781 1.232 . . . . 0.0 110.166 -169.603 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -81.81 161.27 3.69 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 125.362 1.465 . . . . 0.0 112.755 -175.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -71.6 -33.23 68.84 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 128.488 2.715 . . . . 0.0 112.24 163.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . 0.287 7.8 m95 101.18 -54.33 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.371 1 C-N-CA 132.494 4.317 . . . . 0.0 117.066 165.621 . . . . . . . . 3 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -63.37 -25.62 68.69 Favored Glycine 0 CA--C 1.541 1.694 0 CA-C-N 120.127 1.331 . . . . 0.0 113.722 -167.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 22.8 m -60.5 -39.64 88.45 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.339 1.056 . . . . 0.0 113.47 168.468 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.59 -41.34 84.26 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 119.36 0.982 . . . . 0.0 111.463 176.276 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 5.0 mt -60.81 -43.55 95.66 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 124.165 0.986 . . . . 0.0 111.356 173.52 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.3 -56.35 24.8 Favored Glycine 0 CA--C 1.542 1.75 0 C-N-CA 124.732 1.158 . . . . 0.0 113.489 170.804 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 4.6 t -48.98 -56.12 9.87 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 126.352 1.861 . . . . 0.0 111.38 175.516 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 41.0 mt -53.69 -61.94 0.79 Allowed 'Isoleucine or valine' 0 C--O 1.223 -0.315 0 C-N-CA 125.994 1.718 . . . . 0.0 112.351 172.113 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.13 -41.26 99.7 Favored Glycine 0 CA--C 1.531 1.052 0 CA-C-N 118.992 0.814 . . . . 0.0 114.194 -168.405 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -61.83 -55.17 32.74 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.731 0.813 . . . . 0.0 111.845 174.11 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -75.47 -24.9 57.01 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 114.374 1.25 . . . . 0.0 114.374 -175.642 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.48 -63.62 1.09 Allowed 'General case' 0 C--O 1.216 -0.674 0 O-C-N 120.071 -1.643 . . . . 0.0 109.068 165.132 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.25 -24.42 64.87 Favored 'General case' 0 CA--C 1.552 1.04 0 N-CA-C 113.561 0.948 . . . . 0.0 113.561 -175.024 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.98 -41.98 94.95 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 114.898 1.444 . . . . 0.0 114.898 167.257 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 27.3 m120 -89.92 -40.0 12.66 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 114.504 1.298 . . . . 0.0 114.504 -178.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 175.51 -123.83 0.0 OUTLIER 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 129.393 3.077 . . . . 0.0 109.115 -151.196 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -137.71 -20.75 1.15 Allowed 'General case' 0 CA--C 1.546 0.796 1 C-N-CA 132.125 4.17 . . . . 0.0 111.054 -177.814 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.3 p -148.94 73.51 1.22 Allowed 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.768 1.627 . . . . 0.0 111.095 152.051 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 78.95 8.65 87.71 Favored Glycine 0 N--CA 1.479 1.527 0 O-C-N 119.634 -1.916 . . . . 0.0 115.37 147.122 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.61 8.94 42.24 Favored Glycine 0 CA--C 1.543 1.783 0 CA-C-N 119.266 1.533 . . . . 0.0 113.744 -162.468 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.2 p30 127.63 -32.3 0.01 OUTLIER 'General case' 0 CA--C 1.551 1.003 1 C-N-CA 137.048 6.139 . . . . 0.0 113.384 177.212 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -159.11 -4.55 0.07 Allowed 'General case' 0 CA--C 1.556 1.176 0 N-CA-C 117.28 2.326 . . . . 0.0 117.28 -169.213 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -64.52 -6.05 20.22 Favored Glycine 0 CA--C 1.536 1.36 0 N-CA-C 117.644 1.818 . . . . 0.0 117.644 -157.49 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.508 ' CD1' ' HA ' ' A' ' 43' ' ' LYS . 39.1 p90 -67.07 -49.91 63.51 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-N 119.589 1.695 . . . . 0.0 112.918 178.713 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.2 p30 170.57 21.7 0.0 OUTLIER 'General case' 0 CA--C 1.56 1.341 0 C-N-CA 129.812 3.245 . . . . 0.0 112.826 171.231 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.508 ' HA ' ' CD1' ' A' ' 41' ' ' TRP 0.337 25.9 pttm -32.99 103.13 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 117.424 2.379 . . . . 0.0 117.424 -104.838 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 C--O 1.253 1.237 0 C-N-CA 125.303 1.441 . . . . 0.0 112.37 154.026 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.472 ' HE3' ' CZ ' ' A' ' 2' ' ' TYR . 64.6 pttt . . . . . 0 N--CA 1.488 1.438 0 CA-C-O 119.0 -0.524 . . . . 0.01 110.93 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.472 ' CZ ' ' HE3' ' A' ' 1' ' ' LYS . 46.2 m-85 56.74 36.46 27.71 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 125.371 1.468 . . . . 0.0 113.528 -177.48 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -64.55 -35.33 80.62 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 128.297 2.639 . . . . 0.0 114.418 -173.721 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 56.33 17.39 18.18 Favored Glycine 0 CA--C 1.545 1.965 0 C-N-CA 126.516 2.008 . . . . 0.0 116.969 -174.009 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 27.4 m-80 -129.34 51.4 2.06 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 119.543 1.672 . . . . 0.0 112.259 -172.008 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 66.07 -31.35 0.15 Allowed Glycine 0 CA--C 1.541 1.681 1 C-N-CA 131.903 4.573 . . . . 0.0 116.02 172.468 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.885 HG23 ' H ' ' A' ' 16' ' ' VAL . 6.1 p -46.5 157.75 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.447 -0.597 0 C-N-CA 130.767 3.627 . . . . 0.0 115.592 171.034 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 17.4 m80 -132.51 96.26 3.8 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 126.382 1.873 . . . . 0.0 108.83 158.083 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 76.8 m -44.17 135.87 4.17 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 125.415 1.486 . . . . 0.0 113.058 178.347 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -127.07 5.33 7.33 Favored Glycine 0 N--CA 1.475 1.283 0 C-N-CA 124.989 1.281 . . . . 0.0 115.111 -162.598 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . 0.281 20.9 ptmt 46.23 39.03 5.61 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 125.526 1.53 . . . . 0.0 113.359 -158.358 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 60.9 m170 -115.48 -6.92 12.28 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 126.686 1.994 . . . . 0.0 115.453 177.227 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 71.2 m -84.3 -71.46 0.51 Allowed 'General case' 0 N--CA 1.472 0.655 1 C-N-CA 137.108 6.163 . . . . 0.0 112.158 5.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 17.3 t -148.25 125.04 11.19 Favored 'General case' 0 C--O 1.241 0.652 0 C-N-CA 125.317 1.447 . . . . 0.0 109.16 -175.162 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 8.8 p -136.68 -23.91 1.19 Allowed 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 119.367 3.099 . . . . 0.0 119.367 -138.721 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.885 ' H ' HG23 ' A' ' 7' ' ' VAL 0.324 2.1 t -125.29 -174.22 0.99 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 C-N-CA 126.586 1.954 . . . . 0.0 114.051 -149.097 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.538 ' H ' HG13 ' A' ' 16' ' ' VAL . 4.6 t70 132.36 -47.23 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.304 1 C-N-CA 135.378 5.471 . . . . 0.0 106.797 -167.477 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 62.3 p-90 -62.88 -42.9 99.94 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.281 1.032 . . . . 0.0 111.944 163.549 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -67.63 -22.46 73.44 Favored Glycine 0 N--CA 1.478 1.459 0 O-C-N 119.954 -1.716 . . . . 0.0 113.307 179.563 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 17.0 m -68.19 -36.28 79.33 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 117.916 0.858 . . . . 0.0 110.703 172.172 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.47 -51.96 67.22 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 124.865 1.266 . . . . 0.0 110.659 168.757 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 35.5 mm -55.8 -41.05 64.64 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 C-N-CA 123.185 0.594 . . . . 0.0 111.387 175.651 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.32 -46.34 79.34 Favored Glycine 0 N--CA 1.472 1.042 0 C-N-CA 123.968 0.794 . . . . 0.0 113.264 176.687 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 39.4 t -50.91 -60.98 2.5 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 126.919 2.088 . . . . 0.0 111.28 172.391 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.7 mp -54.18 -56.13 11.15 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 C-N-CA 125.693 1.597 . . . . 0.0 111.286 173.466 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -57.79 -49.46 74.15 Favored Glycine 0 CA--C 1.534 1.223 0 C-N-CA 125.333 1.444 . . . . 0.0 115.298 -171.556 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -64.41 -45.77 86.17 Favored 'General case' 0 C--O 1.241 0.613 0 C-N-CA 124.046 0.938 . . . . 0.0 111.138 177.242 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 69.6 m-80 -76.53 -30.59 57.21 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-O 118.105 -0.95 . . . . 0.0 113.278 -177.273 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -49.9 -65.98 0.47 Allowed 'General case' 0 C--O 1.214 -0.766 0 C-N-CA 125.221 1.409 . . . . 0.0 109.749 165.677 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.28 -23.99 67.5 Favored 'General case' 0 CA--C 1.553 1.058 0 CA-C-N 120.565 1.53 . . . . 0.0 113.605 -175.343 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.65 -19.86 63.6 Favored 'General case' 0 CA--C 1.551 1.005 0 N-CA-C 114.624 1.342 . . . . 0.0 114.624 167.466 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -112.81 -23.65 10.02 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 116.868 2.173 . . . . 0.0 116.868 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.42 ' CG ' ' N ' ' A' ' 34' ' ' ALA . 1.2 t-105 141.12 -105.38 0.0 OUTLIER 'General case' 0 CA--C 1.553 1.076 0 C-N-CA 131.076 3.75 . . . . 0.0 110.99 -155.296 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.42 ' N ' ' CG ' ' A' ' 33' ' ' TRP . . . -147.79 8.81 0.88 Allowed 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 130.072 3.349 . . . . 0.0 111.294 -170.549 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . 0.256 80.7 p 102.56 66.2 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.344 1 C-N-CA 133.32 4.648 . . . . 0.0 110.124 -162.65 . . . . . . . . 3 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -170.5 -17.17 0.02 OUTLIER Glycine 0 N--CA 1.479 1.535 0 N-CA-C 116.951 1.54 . . . . 0.0 116.951 174.442 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -58.98 -33.21 72.94 Favored Glycine 0 CA--C 1.541 1.698 0 CA-C-N 120.214 2.007 . . . . 0.0 113.783 163.001 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 8.0 p-10 -161.52 172.48 16.33 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 127.974 2.51 . . . . 0.0 111.572 169.24 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.405 ' HA ' ' CE3' ' A' ' 41' ' ' TRP . . . -125.33 -23.9 4.05 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 125.752 1.621 . . . . 0.0 113.488 171.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -71.47 24.56 0.61 Allowed Glycine 0 CA--C 1.535 1.292 0 C-N-CA 125.625 1.583 . . . . 0.0 114.642 178.452 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.423 ' CD1' ' N ' ' A' ' 42' ' ' ASN . 13.6 p90 -53.45 -66.02 0.46 Allowed 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 126.517 1.927 . . . . 0.0 110.085 170.454 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.423 ' N ' ' CD1' ' A' ' 41' ' ' TRP . 34.2 m-80 -152.2 7.08 0.44 Allowed 'General case' 0 CA--C 1.555 1.144 1 C-N-CA 131.821 4.048 . . . . 0.0 109.031 164.467 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 26.5 mmmt 62.95 -27.31 0.07 Allowed 'General case' 0 N--CA 1.494 1.752 0 C-N-CA 128.765 2.826 . . . . 0.0 116.041 -164.749 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 64.5 m . . . . . 0 CA--C 1.55 0.973 0 N-CA-C 116.622 2.082 . . . . 0.0 116.622 -124.87 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 69.3 p-90 . . . . . 0 CA--C 1.549 0.929 0 N-CA-C 115.428 1.64 . . . . 0.0 115.428 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -73.99 -22.12 78.34 Favored Glycine 0 N--CA 1.474 1.217 0 CA-C-N 119.889 1.222 . . . . 0.0 114.443 -172.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 10.4 p -65.1 -53.66 42.05 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 124.666 1.187 . . . . 0.0 110.57 164.368 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.08 -54.43 39.46 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.762 1.225 . . . . 0.0 111.957 177.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 6.3 pt -63.88 -26.34 40.35 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 N-CA-C 113.561 0.949 . . . . 0.0 113.561 175.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.71 -48.97 58.59 Favored Glycine 0 CA--C 1.524 0.639 0 C-N-CA 124.559 1.076 . . . . 0.0 112.431 171.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 35.2 m -51.51 -58.13 7.14 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.934 1.294 . . . . 0.0 112.149 171.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 28.1 mt -49.47 -63.99 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 126.506 1.922 . . . . 0.0 112.228 173.306 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.63 -43.27 99.49 Favored Glycine 0 CA--C 1.536 1.374 0 CA-C-N 119.317 0.962 . . . . 0.0 112.149 -164.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -61.62 -58.93 6.15 Favored 'General case' 0 C--N 1.346 0.428 0 C-N-CA 124.758 1.223 . . . . 0.0 112.377 176.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 65.6 m-80 -70.05 -29.54 66.58 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 113.069 0.766 . . . . 0.0 113.069 -174.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.79 -72.97 0.07 Allowed 'General case' 0 C--O 1.215 -0.759 0 CA-C-O 117.844 -1.074 . . . . 0.0 109.906 169.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.67 -17.53 55.88 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 114.784 1.401 . . . . 0.0 114.784 -172.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.54 -35.11 79.9 Favored 'General case' 0 CA--C 1.552 1.055 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 166.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 23.9 m120 -110.69 -38.52 5.14 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 115.212 1.56 . . . . 0.0 115.212 -176.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . 0.408 ' CG ' ' N ' ' A' ' 34' ' ' ALA . 0.0 OUTLIER -178.63 -126.04 0.0 OUTLIER 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 128.18 2.592 . . . . 0.0 108.554 -154.252 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.482 ' O ' HG23 ' A' ' 35' ' ' THR . . . -126.36 -14.83 5.81 Favored 'General case' 0 CA--C 1.539 0.55 1 C-N-CA 131.831 4.053 . . . . 0.0 111.395 177.775 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.482 HG23 ' O ' ' A' ' 34' ' ' ALA . 7.5 p -158.23 57.95 0.46 Allowed 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 127.67 2.388 . . . . 0.0 112.756 163.444 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 76.68 10.09 86.05 Favored Glycine 0 C--N 1.349 1.277 0 O-C-N 119.231 -2.168 . . . . 0.0 114.437 158.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 68.04 -28.86 0.25 Allowed Glycine 0 CA--C 1.547 2.045 0 C-N-CA 125.194 1.378 . . . . 0.0 114.569 -168.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -153.62 7.3 0.36 Allowed 'General case' 0 CA--C 1.558 1.285 0 C-N-CA 126.279 1.832 . . . . 0.0 115.333 -174.038 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . 52.63 19.98 1.39 Allowed 'General case' 0 CA--C 1.553 1.078 0 N-CA-C 116.3 1.963 . . . . 0.0 116.3 -168.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.85 8.51 21.63 Favored Glycine 0 CA--C 1.537 1.462 0 C-N-CA 126.675 2.083 . . . . 0.0 115.198 -179.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 31.6 p90 -56.29 -47.2 79.11 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 119.613 1.706 . . . . 0.0 111.31 176.229 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -164.52 3.72 0.03 OUTLIER 'General case' 0 CA--C 1.563 1.452 0 C-N-CA 126.307 1.843 . . . . 0.0 114.352 150.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 26.3 pttm -41.75 144.13 0.44 Allowed 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 118.852 2.908 . . . . 0.0 118.852 -92.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 71.0 m . . . . . 0 C--O 1.257 1.484 0 C-N-CA 127.94 2.496 . . . . 0.0 112.077 175.627 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 35.6 p-90 . . . . . 0 CA--C 1.549 0.94 0 N-CA-C 116.229 1.937 . . . . 0.0 116.229 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.37 -24.63 74.97 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 120.019 -1.675 . . . . 0.0 113.849 -176.432 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 36.0 m -65.15 -35.71 81.97 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 117.451 0.625 . . . . 0.0 111.457 170.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.25 -51.08 67.63 Favored 'General case' 0 C--N 1.344 0.364 0 CA-C-N 119.02 0.827 . . . . 0.0 112.072 174.11 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 8.5 pt -66.96 -24.14 31.96 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 N-CA-C 114.55 1.315 . . . . 0.0 114.55 173.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.72 -57.78 18.01 Favored Glycine 0 CA--C 1.537 1.416 0 C-N-CA 125.526 1.536 . . . . 0.0 111.691 162.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 85.3 m -52.96 -73.45 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 125.228 1.411 . . . . 0.0 112.387 175.06 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 2.1 mp -34.42 -55.63 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.726 0 C-N-CA 127.861 2.464 . . . . 0.0 113.423 169.387 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -73.54 -65.97 2.11 Favored Glycine 0 CA--C 1.537 1.421 0 O-C-N 120.041 -1.662 . . . . 0.0 116.063 -170.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 29.6 m120 -62.61 -42.38 99.54 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 123.978 0.911 . . . . 0.0 110.954 -175.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -79.78 -17.15 54.11 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-O 117.076 -1.44 . . . . 0.0 113.726 177.375 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.31 -59.8 4.2 Favored 'General case' 0 CA--C 1.502 -0.896 0 CA-C-N 121.583 1.992 . . . . 0.0 108.877 157.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.93 -22.5 65.66 Favored 'General case' 0 CA--C 1.561 1.4 0 CA-C-N 120.178 1.354 . . . . 0.0 113.625 -174.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -73.2 -25.67 60.86 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 115.913 1.82 . . . . 0.0 115.913 168.233 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . 0.253 29.2 p30 -115.94 -23.73 8.44 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 116.698 2.11 . . . . 0.0 116.698 -176.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 175.59 -135.24 0.0 OUTLIER 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 128.471 2.708 . . . . 0.0 109.596 -165.144 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -119.19 8.68 11.55 Favored 'General case' 0 CA--C 1.559 1.297 1 C-N-CA 132.857 4.463 . . . . 0.0 110.084 168.631 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 12.8 p 139.51 86.84 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.386 1 C-N-CA 135.088 5.355 . . . . 0.0 112.231 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 115.14 27.38 3.19 Favored Glycine 0 N--CA 1.475 1.262 0 O-C-N 120.282 -1.511 . . . . 0.0 115.28 147.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.65 -15.25 53.5 Favored Glycine 0 N--CA 1.476 1.363 0 CA-C-O 119.215 -0.769 . . . . 0.0 114.345 167.126 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -151.23 157.42 42.58 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 118.002 0.901 . . . . 0.0 112.658 169.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -80.17 9.28 5.81 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 114.911 1.448 . . . . 0.0 114.911 174.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -56.64 -13.64 8.23 Favored Glycine 0 CA--C 1.533 1.173 0 C-N-CA 128.201 2.81 . . . . 0.0 116.62 178.007 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.488 ' CD1' ' C ' ' A' ' 41' ' ' TRP . 0.0 OUTLIER -105.39 -42.59 5.2 Favored 'General case' 0 C--O 1.209 -1.049 0 CA-C-N 118.623 1.211 . . . . 0.0 113.334 150.786 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 46.5 m-80 -53.25 -2.24 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.262 0 N-CA-C 116.983 2.216 . . . . 0.0 116.983 -167.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.5 -65.68 0.39 Allowed 'General case' 0 N--CA 1.483 1.198 0 N-CA-C 115.368 1.618 . . . . 0.0 115.368 139.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 41.0 t . . . . . 0 C--O 1.252 1.197 1 C-N-CA 132.234 4.213 . . . . 0.0 112.178 -175.316 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 33.2 p-90 . . . . . 0 N--CA 1.484 1.236 0 N-CA-C 116.379 1.992 . . . . 0.0 116.379 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -52.43 -39.58 52.65 Favored Glycine 0 N--CA 1.475 1.265 0 C-N-CA 125.691 1.615 . . . . 0.0 113.539 -172.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 62.1 m -66.58 -45.53 78.96 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.35 1.46 . . . . 0.0 111.362 178.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.76 -57.36 12.76 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 125.259 1.424 . . . . 0.0 113.077 178.24 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 40.6 mm -65.64 -30.62 50.69 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.696 0 C-N-CA 124.559 1.143 . . . . 0.0 112.285 176.142 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.69 -47.86 78.86 Favored Glycine 0 CA--C 1.527 0.793 0 O-C-N 120.622 -1.299 . . . . 0.0 113.134 174.224 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.474 ' HB3' ' CD1' ' A' ' 41' ' ' TRP . 68.1 m -54.71 -62.56 1.58 Allowed 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 125.547 1.539 . . . . 0.0 111.222 173.346 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 52.7 mt -33.67 -66.3 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 126.817 2.047 . . . . 0.0 112.069 164.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -54.49 -52.24 46.34 Favored Glycine 0 CA--C 1.538 1.52 0 CA-C-N 119.757 1.162 . . . . 0.0 115.08 -171.185 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 45.4 t30 -61.64 -66.14 0.58 Allowed 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 124.174 0.99 . . . . 0.0 113.182 -178.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -79.48 -13.39 59.6 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 120.763 -1.21 . . . . 0.0 113.386 -174.448 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.91 -46.49 84.58 Favored 'General case' 0 C--N 1.347 0.463 0 CA-C-N 121.309 1.868 . . . . 0.0 112.675 160.429 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.3 -24.68 66.59 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 120.925 1.693 . . . . 0.0 113.068 179.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.36 -49.25 67.54 Favored 'General case' 0 CA--C 1.555 1.136 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 163.527 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -67.22 -50.99 58.65 Favored 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 126.175 1.79 . . . . 0.0 114.321 -177.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 172.92 -122.3 0.0 OUTLIER 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 127.747 2.419 . . . . 0.0 110.095 -137.705 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -145.13 -34.15 0.35 Allowed 'General case' 0 CA--C 1.547 0.85 1 C-N-CA 133.052 4.541 . . . . 0.0 110.325 -175.233 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -159.93 94.91 1.15 Allowed 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 128.673 2.789 . . . . 0.0 111.65 152.772 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 99.25 36.56 4.36 Favored Glycine 0 N--CA 1.47 0.955 0 C-N-CA 118.709 -1.71 . . . . 0.0 115.149 143.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -54.27 -17.66 8.37 Favored Glycine 0 CA--C 1.545 1.968 0 CA-C-N 118.053 0.926 . . . . 0.0 112.775 159.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 59.9 t30 -150.96 166.33 30.99 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.988 1.315 . . . . 0.0 113.28 167.02 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -76.88 20.3 0.25 Allowed 'General case' 0 CA--C 1.558 1.252 0 C-N-CA 127.399 2.28 . . . . 0.0 113.428 170.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -53.31 -32.25 43.96 Favored Glycine 0 CA--C 1.523 0.574 0 C-N-CA 127.194 2.33 . . . . 0.0 114.764 -178.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.475 ' CD1' ' C ' ' A' ' 41' ' ' TRP . 0.1 OUTLIER -97.62 -38.19 9.63 Favored 'General case' 0 C--O 1.217 -0.651 0 CA-C-O 117.603 -1.189 . . . . 0.0 112.661 156.228 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . 0.252 1.1 t-20 -57.14 2.25 0.03 OUTLIER 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 116.735 2.124 . . . . 0.0 116.735 -163.42 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.53 -45.09 2.2 Favored 'General case' 0 CA--C 1.551 0.982 0 N-CA-C 116.929 2.196 . . . . 0.0 116.929 141.24 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 65.5 m . . . . . 0 C--O 1.251 1.15 0 C-N-CA 125.099 1.359 . . . . 0.0 112.832 -175.032 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 14.4 p-90 . . . . . 0 CA--C 1.554 1.135 0 N-CA-C 116.904 2.187 . . . . 0.0 116.904 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -70.86 -40.04 64.28 Favored Glycine 0 CA--C 1.532 1.141 0 O-C-N 119.987 -1.696 . . . . 0.0 109.801 175.475 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.1 p -66.58 -31.89 72.88 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 125.414 1.486 . . . . 0.0 112.891 167.36 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.51 -51.21 70.41 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 125.052 1.341 . . . . 0.0 110.745 172.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 18.5 mm -62.25 -39.36 83.81 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.899 0 C-N-CA 123.729 0.812 . . . . 0.0 111.677 172.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.91 -46.91 91.89 Favored Glycine 0 CA--C 1.535 1.284 0 C-N-CA 123.824 0.726 . . . . 0.0 113.294 175.194 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 7.0 t -55.74 -74.08 0.05 OUTLIER 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 126.639 1.976 . . . . 0.0 111.07 169.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.7 mp -46.93 -40.37 4.94 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 C-N-CA 125.043 1.337 . . . . 0.0 112.595 -179.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -66.86 -53.9 24.7 Favored Glycine 0 CA--C 1.539 1.583 0 CA-C-N 121.795 2.088 . . . . 0.0 114.577 177.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -63.9 -44.07 94.11 Favored 'General case' 0 CA--C 1.54 0.563 0 O-C-N 121.207 -1.173 . . . . 0.0 111.517 178.058 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 27.2 m120 -67.24 -34.91 78.45 Favored 'General case' 0 CA--C 1.549 0.911 0 CA-C-O 118.06 -0.972 . . . . 0.0 113.135 176.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -51.37 -60.3 3.28 Favored 'General case' 0 C--O 1.216 -0.691 0 CA-C-N 120.246 1.385 . . . . 0.0 109.822 168.326 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.76 -21.86 66.62 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 120.399 1.454 . . . . 0.0 113.982 -177.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.21 -23.17 62.89 Favored 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 114.66 1.356 . . . . 0.0 114.66 169.167 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 9.9 p30 -107.31 -26.61 10.94 Favored 'General case' 0 C--O 1.24 0.593 0 N-CA-C 116.187 1.921 . . . . 0.0 116.187 176.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . 0.446 ' CG ' ' N ' ' A' ' 34' ' ' ALA . 2.0 t-105 146.04 -101.61 0.0 OUTLIER 'General case' 0 CA--C 1.565 1.519 0 C-N-CA 130.368 3.467 . . . . 0.0 111.068 -156.535 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.446 ' N ' ' CG ' ' A' ' 33' ' ' TRP . . . -154.84 43.49 0.49 Allowed 'General case' 0 CA--C 1.563 1.445 0 C-N-CA 130.742 3.617 . . . . 0.0 107.365 -172.113 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . 0.356 6.5 t 56.09 79.86 0.16 Allowed 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 129.032 2.933 . . . . 0.0 112.055 -163.363 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -179.86 -15.47 0.03 OUTLIER Glycine 0 N--CA 1.472 1.048 0 CA-C-O 118.208 -1.329 . . . . 0.0 115.953 170.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -53.62 -56.31 20.81 Favored Glycine 0 CA--C 1.539 1.57 0 CA-C-N 119.832 1.816 . . . . 0.0 113.21 172.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.6 p-10 -164.29 145.68 8.48 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 127.111 2.164 . . . . 0.0 111.667 176.419 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -82.72 -17.21 45.14 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 125.46 1.504 . . . . 0.0 113.459 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -59.88 8.62 0.05 OUTLIER Glycine 0 CA--C 1.536 1.347 0 C-N-CA 126.873 2.178 . . . . 0.0 115.72 173.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 1.7 p90 -48.21 -41.46 27.33 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 127.76 2.424 . . . . 0.0 113.177 168.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 147.49 8.26 0.0 OUTLIER 'General case' 0 CA--C 1.557 1.217 1 C-N-CA 135.46 5.504 . . . . 0.0 113.651 -174.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 19.9 ptmt 1.28 82.38 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 129.745 3.218 . . . . 0.0 115.315 -174.182 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 8.9 p . . . . . 0 C--O 1.257 1.473 0 CA-C-N 113.632 -1.622 . . . . 0.0 113.937 -162.32 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 34.1 p-90 . . . . . 0 CA--C 1.552 1.03 0 N-CA-C 114.262 1.208 . . . . 0.0 114.262 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -60.16 -19.56 52.05 Favored Glycine 0 CA--C 1.529 0.939 0 C-N-CA 123.499 0.571 . . . . 0.0 114.337 173.191 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 29.2 p -60.79 -44.93 96.19 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 118.69 1.245 . . . . 0.0 113.339 168.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.94 -53.81 18.83 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 124.893 1.277 . . . . 0.0 112.191 177.094 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 21.8 pt -68.86 -17.22 21.79 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 N-CA-C 114.329 1.233 . . . . 0.0 114.329 176.44 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -82.7 -37.87 12.95 Favored Glycine 0 C--N 1.342 0.873 0 C-N-CA 125.05 1.31 . . . . 0.0 113.6 170.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 53.3 t -54.08 -52.16 61.84 Favored 'General case' 0 C--O 1.246 0.92 0 C-N-CA 125.162 1.385 . . . . 0.0 110.373 165.048 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.3 mp -53.06 -56.64 6.98 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.785 0 C-N-CA 123.629 0.771 . . . . 0.0 111.629 166.13 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.23 -44.47 84.19 Favored Glycine 0 CA--C 1.531 1.075 0 C-N-CA 125.381 1.467 . . . . 0.0 113.628 -169.342 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 50.3 m-80 -64.7 -55.61 18.94 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 112.767 0.655 . . . . 0.0 112.767 173.574 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 69.8 m-80 -74.12 -26.58 60.42 Favored 'General case' 0 CA--C 1.551 1.014 0 N-CA-C 114.539 1.311 . . . . 0.0 114.539 -172.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.61 -72.67 0.07 Allowed 'General case' 0 C--O 1.206 -1.207 0 CA-C-O 116.598 -1.668 . . . . 0.0 109.548 158.277 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.92 -9.27 28.03 Favored 'General case' 0 CA--C 1.553 1.072 0 CA-C-N 123.637 2.926 . . . . 0.0 115.656 -167.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.91 -61.08 2.65 Favored 'General case' 0 CA--C 1.547 0.845 0 O-C-N 120.406 -1.433 . . . . 0.0 112.915 154.456 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -153.28 94.08 1.78 Allowed 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 126.421 1.888 . . . . 0.0 110.619 170.678 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -153.35 -55.46 0.12 Allowed 'General case' 0 CA--C 1.554 1.128 0 C-N-CA 130.678 3.591 . . . . 0.0 108.653 2.793 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -143.96 68.78 1.27 Allowed 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 128.695 2.798 . . . . 0.0 107.607 169.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 41.6 p 44.33 44.4 6.71 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 126.371 1.868 . . . . 0.0 114.341 -164.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -158.96 -10.37 0.05 OUTLIER Glycine 0 N--CA 1.476 1.353 0 N-CA-C 118.791 2.276 . . . . 0.0 118.791 -175.499 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -73.06 -29.08 65.28 Favored Glycine 0 CA--C 1.532 1.119 0 CA-C-N 119.762 1.781 . . . . 0.0 114.542 177.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -144.05 -48.62 0.28 Allowed 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 115.684 1.735 . . . . 0.0 115.684 178.297 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . 58.9 -26.36 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 129.233 3.013 . . . . 0.0 116.96 -172.321 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -67.25 11.03 0.79 Allowed Glycine 0 CA--C 1.54 1.598 0 C-N-CA 126.151 1.834 . . . . 0.0 114.099 170.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 2.2 p90 -57.84 -54.81 42.74 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 126.953 2.101 . . . . 0.0 109.405 178.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 21.5 p30 -162.77 0.18 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 128.85 2.86 . . . . 0.0 113.779 163.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 25.2 pttm -27.81 138.95 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.289 0 N-CA-C 118.864 2.913 . . . . 0.0 118.864 -114.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.3 m . . . . . 0 C--O 1.257 1.448 0 CA-C-N 114.148 -1.387 . . . . 0.0 113.976 -157.684 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 64.3 p-90 . . . . . 0 CA--C 1.545 0.774 0 N-CA-C 116.284 1.957 . . . . 0.0 116.284 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -52.03 -30.49 30.66 Favored Glycine 0 N--CA 1.473 1.117 0 C-N-CA 125.577 1.561 . . . . 0.0 113.648 162.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 36.3 p -59.29 -42.74 92.02 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 126.573 1.949 . . . . 0.0 112.42 170.057 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.08 -42.86 93.69 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.89 0.876 . . . . 0.0 112.345 175.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.0 mt -57.88 -49.52 80.81 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 122.987 0.515 . . . . 0.0 110.942 172.033 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.88 -40.43 98.84 Favored Glycine 0 N--CA 1.472 1.036 0 C-N-CA 123.826 0.727 . . . . 0.0 113.001 179.317 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 27.9 t -60.33 -52.37 65.56 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.219 1.408 . . . . 0.0 112.387 175.246 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.4 mp -52.68 -48.03 49.26 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 C-N-CA 125.204 1.402 . . . . 0.0 112.542 166.612 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -68.18 -41.31 86.85 Favored Glycine 0 CA--C 1.527 0.821 0 CA-C-N 119.64 1.109 . . . . 0.0 115.568 -173.054 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 19.6 t30 -59.92 -53.22 60.43 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.488 1.115 . . . . 0.0 110.622 173.034 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 67.4 m-80 -73.23 -23.75 60.4 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 114.382 1.253 . . . . 0.0 114.382 -178.121 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.21 -55.59 32.76 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 117.823 -1.084 . . . . 0.0 109.98 164.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.55 -26.17 68.3 Favored 'General case' 0 CA--C 1.561 1.387 0 CA-C-N 120.575 1.534 . . . . 0.0 113.349 -178.225 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.07 -45.81 79.97 Favored 'General case' 0 CA--C 1.547 0.849 0 O-C-N 121.248 -0.907 . . . . 0.0 113.356 167.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.68 -54.06 37.59 Favored 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 125.613 1.565 . . . . 0.0 114.487 175.159 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . 0.4 ' CG ' ' N ' ' A' ' 34' ' ' ALA . 0.0 OUTLIER 157.86 -118.05 0.0 OUTLIER 'General case' 0 CA--C 1.564 1.5 0 C-N-CA 128.196 2.598 . . . . 0.0 110.231 -129.594 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.4 ' N ' ' CG ' ' A' ' 33' ' ' TRP . . . -146.22 9.87 1.12 Allowed 'General case' 0 CA--C 1.56 1.361 1 C-N-CA 132.053 4.141 . . . . 0.0 111.205 -179.023 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 22.0 p 118.84 100.49 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.787 1 C-N-CA 134.691 5.197 . . . . 0.0 110.218 -171.188 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 139.76 -16.29 3.07 Favored Glycine 0 N--CA 1.482 1.757 0 N-CA-C 116.312 1.285 . . . . 0.0 116.312 160.09 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -51.63 -39.63 46.33 Favored Glycine 0 CA--C 1.542 1.777 0 CA-C-N 120.139 1.97 . . . . 0.0 114.262 178.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -156.19 98.49 1.87 Allowed 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 125.907 1.683 . . . . 0.0 110.576 169.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.97 -19.67 63.04 Favored 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 174.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -58.74 6.62 0.04 OUTLIER Glycine 0 CA--C 1.551 2.32 0 C-N-CA 126.698 2.094 . . . . 0.0 114.786 164.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 1.5 p90 -50.61 -43.25 56.76 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 126.487 1.915 . . . . 0.0 112.642 172.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 149.66 25.34 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.969 1 C-N-CA 133.835 4.854 . . . . 0.0 111.461 -179.425 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 63.0 pttt -24.34 108.21 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 128.273 2.629 . . . . 0.0 116.392 -162.452 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 3.9 m . . . . . 0 C--O 1.252 1.2 0 CA-C-N 113.955 -1.475 . . . . 0.0 114.132 -151.667 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 45.1 p-90 . . . . . 0 CA--C 1.545 0.784 0 N-CA-C 115.286 1.587 . . . . 0.0 115.286 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.47 -22.8 75.12 Favored Glycine 0 CA--C 1.543 1.84 0 O-C-N 119.603 -1.936 . . . . 0.0 111.922 173.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 13.4 m -66.01 -32.02 73.25 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 121.391 -1.064 . . . . 0.0 112.373 165.677 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.77 -41.24 92.3 Favored 'General case' 0 CA--C 1.535 0.375 0 O-C-N 120.142 -1.599 . . . . 0.0 111.802 171.131 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 6.9 mm -59.61 -44.07 92.53 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 O-C-N 120.855 -1.153 . . . . 0.0 112.436 170.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.92 -46.6 93.24 Favored Glycine 0 CA--C 1.533 1.174 0 C-N-CA 123.591 0.615 . . . . 0.0 111.672 177.172 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 50.1 t -54.46 -64.84 0.7 Allowed 'General case' 0 CA--C 1.554 1.106 0 C-N-CA 126.996 2.118 . . . . 0.0 112.232 174.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.7 mp -53.74 -48.76 60.48 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.108 0 C-N-CA 124.538 1.135 . . . . 0.0 111.468 175.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.79 -51.15 57.09 Favored Glycine 0 CA--C 1.535 1.335 0 C-N-CA 124.623 1.106 . . . . 0.0 112.518 -173.022 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -66.62 -53.2 36.76 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 123.398 0.679 . . . . 0.0 111.997 177.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 68.5 m-80 -72.64 -38.95 67.55 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 121.049 -1.032 . . . . 0.0 112.589 -170.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.98 -37.58 88.12 Favored 'General case' 0 C--O 1.214 -0.794 0 O-C-N 120.135 -1.603 . . . . 0.0 112.258 169.165 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.0 -24.0 66.77 Favored 'General case' 0 CA--C 1.553 1.091 0 CA-C-N 121.551 1.978 . . . . 0.0 112.805 175.166 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.83 -21.94 50.72 Favored 'General case' 0 CA--C 1.557 1.212 0 N-CA-C 114.713 1.375 . . . . 0.0 114.713 165.362 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 54.6 m-80 -110.03 -4.95 15.57 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 117.154 2.279 . . . . 0.0 117.154 -176.207 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 147.26 -106.33 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.239 1 C-N-CA 132.193 4.197 . . . . 0.0 109.853 -162.746 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -165.0 -33.99 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.43 1 C-N-CA 132.239 4.216 . . . . 0.0 109.55 -173.738 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 17.6 p -139.85 65.28 1.43 Allowed 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 126.4 1.88 . . . . 0.0 112.1 151.281 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 76.87 84.33 0.47 Allowed Glycine 0 CA--C 1.54 1.624 0 CA-C-O 122.684 1.158 . . . . 0.0 115.487 153.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -58.06 -9.16 5.34 Favored Glycine 0 CA--C 1.547 2.042 0 CA-C-N 114.421 -0.889 . . . . 0.0 113.128 142.566 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -155.02 170.53 21.57 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 126.314 1.846 . . . . 0.0 109.592 170.108 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -132.49 -7.65 3.28 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.231 1.412 . . . . 0.0 114.094 176.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -72.64 14.07 2.73 Favored Glycine 0 CA--C 1.53 1.013 0 C-N-CA 126.405 1.955 . . . . 0.0 116.235 -179.358 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 19.4 p90 -49.91 -62.2 1.7 Allowed 'General case' 0 C--N 1.343 0.319 0 C-N-CA 126.297 1.839 . . . . 0.0 111.016 175.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -152.51 12.29 0.53 Allowed 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 128.314 2.645 . . . . 0.0 111.501 154.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt 46.77 173.13 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 125.9 1.68 . . . . 0.0 114.123 -141.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 58.1 m . . . . . 0 C--O 1.253 1.272 0 CA-C-O 118.089 -0.958 . . . . 0.0 111.055 125.047 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 55.7 p-90 . . . . . 0 CA--C 1.549 0.909 0 N-CA-C 113.606 0.965 . . . . 0.0 113.606 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -73.07 -16.27 78.5 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 114.823 0.689 . . . . 0.0 114.823 178.517 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 23.0 m -73.8 -41.31 62.53 Favored 'General case' 0 N--CA 1.476 0.843 0 O-C-N 121.025 -1.279 . . . . 0.0 111.074 167.352 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.64 -54.63 44.17 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.184 0.994 . . . . 0.0 111.868 174.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 7.5 pt -68.59 -25.85 31.86 Favored 'Isoleucine or valine' 0 C--N 1.348 0.513 0 CA-C-N 119.12 0.873 . . . . 0.0 112.738 174.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.18 -50.61 65.94 Favored Glycine 0 CA--C 1.547 2.085 0 C-N-CA 124.502 1.049 . . . . 0.0 111.567 171.219 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 70.9 m -56.48 -70.2 0.13 Allowed 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.864 0.865 . . . . 0.0 111.281 171.102 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.7 mp -52.04 -42.41 34.56 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 C-N-CA 124.615 1.166 . . . . 0.0 111.407 -173.326 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.3 -58.66 13.27 Favored Glycine 0 CA--C 1.538 1.524 0 O-C-N 120.963 -1.085 . . . . 0.0 114.052 177.39 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 36.2 t30 -64.61 -51.73 61.15 Favored 'General case' 0 C--O 1.241 0.64 0 C-N-CA 123.567 0.747 . . . . 0.0 112.641 178.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -63.89 -40.8 97.36 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.432 1.093 . . . . 0.0 111.661 -177.348 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.83 -38.71 83.56 Favored 'General case' 0 C--O 1.217 -0.616 0 O-C-N 120.421 -1.424 . . . . 0.0 113.051 171.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.6 -24.52 66.74 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 120.167 1.349 . . . . 0.0 112.883 178.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -74.85 -40.72 60.85 Favored 'General case' 0 CA--C 1.552 1.039 0 N-CA-C 114.293 1.219 . . . . 0.0 114.293 166.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 34.2 m-80 -74.01 -42.3 60.56 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 125.386 1.475 . . . . 0.0 114.231 -179.349 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 170.8 -113.43 0.0 OUTLIER 'General case' 0 CA--C 1.557 1.247 0 C-N-CA 127.989 2.516 . . . . 0.0 108.783 -147.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -154.19 -39.04 0.09 Allowed 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 131.575 3.95 . . . . 0.0 109.28 -171.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 16.7 p -146.18 81.55 1.59 Allowed 'General case' 0 C--N 1.349 0.587 0 C-N-CA 127.595 2.358 . . . . 0.0 111.825 150.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 79.79 71.43 1.26 Allowed Glycine 0 C--N 1.346 1.101 0 C-N-CA 118.83 -1.652 . . . . 0.0 114.16 148.213 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -58.84 -6.54 3.81 Favored Glycine 0 CA--C 1.552 2.368 0 CA-C-O 119.734 -0.481 . . . . 0.0 113.137 146.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -150.31 178.8 8.67 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 125.287 1.435 . . . . 0.0 111.365 164.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -130.63 -20.26 2.92 Favored 'General case' 0 CA--C 1.559 1.298 0 C-N-CA 125.872 1.669 . . . . 0.0 113.573 170.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -66.98 20.66 0.21 Allowed Glycine 0 CA--C 1.538 1.504 0 O-C-N 120.059 -1.651 . . . . 0.0 115.201 169.303 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 6.1 p90 -55.41 -45.53 76.71 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.657 1.583 . . . . 0.0 112.01 167.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 153.13 20.28 0.0 OUTLIER 'General case' 0 CA--C 1.555 1.159 1 C-N-CA 133.855 4.862 . . . . 0.0 111.794 -175.649 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 20.7 pttp -15.05 94.5 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.949 0 C-N-CA 127.639 2.376 . . . . 0.0 116.443 -172.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 68.1 m . . . . . 0 C--O 1.258 1.537 0 CA-C-O 117.8 -1.095 . . . . 0.0 113.357 -162.471 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . 0.287 7.8 m95 . . . . . 0 N--CA 1.466 0.371 0 N-CA-C 117.066 2.247 . . . . 0.0 117.066 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -63.37 -25.62 68.69 Favored Glycine 0 CA--C 1.541 1.694 0 CA-C-N 120.127 1.331 . . . . 0.0 113.722 -167.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 22.8 m -60.5 -39.64 88.45 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.339 1.056 . . . . 0.0 113.47 168.468 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.59 -41.34 84.26 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 119.36 0.982 . . . . 0.0 111.463 176.276 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 5.0 mt -60.81 -43.55 95.66 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 124.165 0.986 . . . . 0.0 111.356 173.52 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.3 -56.35 24.8 Favored Glycine 0 CA--C 1.542 1.75 0 C-N-CA 124.732 1.158 . . . . 0.0 113.489 170.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 4.6 t -48.98 -56.12 9.87 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 126.352 1.861 . . . . 0.0 111.38 175.516 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 41.0 mt -53.69 -61.94 0.79 Allowed 'Isoleucine or valine' 0 C--O 1.223 -0.315 0 C-N-CA 125.994 1.718 . . . . 0.0 112.351 172.113 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.13 -41.26 99.7 Favored Glycine 0 CA--C 1.531 1.052 0 CA-C-N 118.992 0.814 . . . . 0.0 114.194 -168.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -61.83 -55.17 32.74 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.731 0.813 . . . . 0.0 111.845 174.11 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -75.47 -24.9 57.01 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 114.374 1.25 . . . . 0.0 114.374 -175.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.48 -63.62 1.09 Allowed 'General case' 0 C--O 1.216 -0.674 0 O-C-N 120.071 -1.643 . . . . 0.0 109.068 165.132 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.25 -24.42 64.87 Favored 'General case' 0 CA--C 1.552 1.04 0 N-CA-C 113.561 0.948 . . . . 0.0 113.561 -175.024 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.98 -41.98 94.95 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 114.898 1.444 . . . . 0.0 114.898 167.257 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 27.3 m120 -89.92 -40.0 12.66 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 114.504 1.298 . . . . 0.0 114.504 -178.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 175.51 -123.83 0.0 OUTLIER 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 129.393 3.077 . . . . 0.0 109.115 -151.196 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -137.71 -20.75 1.15 Allowed 'General case' 0 CA--C 1.546 0.796 1 C-N-CA 132.125 4.17 . . . . 0.0 111.054 -177.814 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.3 p -148.94 73.51 1.22 Allowed 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.768 1.627 . . . . 0.0 111.095 152.051 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 78.95 8.65 87.71 Favored Glycine 0 N--CA 1.479 1.527 0 O-C-N 119.634 -1.916 . . . . 0.0 115.37 147.122 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.61 8.94 42.24 Favored Glycine 0 CA--C 1.543 1.783 0 CA-C-N 119.266 1.533 . . . . 0.0 113.744 -162.468 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.2 p30 127.63 -32.3 0.01 OUTLIER 'General case' 0 CA--C 1.551 1.003 1 C-N-CA 137.048 6.139 . . . . 0.0 113.384 177.212 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -159.11 -4.55 0.07 Allowed 'General case' 0 CA--C 1.556 1.176 0 N-CA-C 117.28 2.326 . . . . 0.0 117.28 -169.213 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -64.52 -6.05 20.22 Favored Glycine 0 CA--C 1.536 1.36 0 N-CA-C 117.644 1.818 . . . . 0.0 117.644 -157.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.508 ' CD1' ' HA ' ' A' ' 43' ' ' LYS . 39.1 p90 -67.07 -49.91 63.51 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-N 119.589 1.695 . . . . 0.0 112.918 178.713 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.2 p30 170.57 21.7 0.0 OUTLIER 'General case' 0 CA--C 1.56 1.341 0 C-N-CA 129.812 3.245 . . . . 0.0 112.826 171.231 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.508 ' HA ' ' CD1' ' A' ' 41' ' ' TRP 0.337 25.9 pttm -32.99 103.13 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 117.424 2.379 . . . . 0.0 117.424 -104.838 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 C--O 1.253 1.237 0 C-N-CA 125.303 1.441 . . . . 0.0 112.37 154.026 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 62.3 p-90 . . . . . 0 N--CA 1.478 0.971 0 CA-C-O 121.573 0.701 . . . . 0.0 111.944 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -67.63 -22.46 73.44 Favored Glycine 0 N--CA 1.478 1.459 0 O-C-N 119.954 -1.716 . . . . 0.0 113.307 179.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 17.0 m -68.19 -36.28 79.33 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 117.916 0.858 . . . . 0.0 110.703 172.172 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.47 -51.96 67.22 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 124.865 1.266 . . . . 0.0 110.659 168.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 35.5 mm -55.8 -41.05 64.64 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 C-N-CA 123.185 0.594 . . . . 0.0 111.387 175.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.32 -46.34 79.34 Favored Glycine 0 N--CA 1.472 1.042 0 C-N-CA 123.968 0.794 . . . . 0.0 113.264 176.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 39.4 t -50.91 -60.98 2.5 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 126.919 2.088 . . . . 0.0 111.28 172.391 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.7 mp -54.18 -56.13 11.15 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 C-N-CA 125.693 1.597 . . . . 0.0 111.286 173.466 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -57.79 -49.46 74.15 Favored Glycine 0 CA--C 1.534 1.223 0 C-N-CA 125.333 1.444 . . . . 0.0 115.298 -171.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -64.41 -45.77 86.17 Favored 'General case' 0 C--O 1.241 0.613 0 C-N-CA 124.046 0.938 . . . . 0.0 111.138 177.242 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 69.6 m-80 -76.53 -30.59 57.21 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-O 118.105 -0.95 . . . . 0.0 113.278 -177.273 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -49.9 -65.98 0.47 Allowed 'General case' 0 C--O 1.214 -0.766 0 C-N-CA 125.221 1.409 . . . . 0.0 109.749 165.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.28 -23.99 67.5 Favored 'General case' 0 CA--C 1.553 1.058 0 CA-C-N 120.565 1.53 . . . . 0.0 113.605 -175.343 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.65 -19.86 63.6 Favored 'General case' 0 CA--C 1.551 1.005 0 N-CA-C 114.624 1.342 . . . . 0.0 114.624 167.466 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -112.81 -23.65 10.02 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 116.868 2.173 . . . . 0.0 116.868 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . 0.42 ' CG ' ' N ' ' A' ' 34' ' ' ALA . 1.2 t-105 141.12 -105.38 0.0 OUTLIER 'General case' 0 CA--C 1.553 1.076 0 C-N-CA 131.076 3.75 . . . . 0.0 110.99 -155.296 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.42 ' N ' ' CG ' ' A' ' 33' ' ' TRP . . . -147.79 8.81 0.88 Allowed 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 130.072 3.349 . . . . 0.0 111.294 -170.549 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . 0.256 80.7 p 102.56 66.2 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.344 1 C-N-CA 133.32 4.648 . . . . 0.0 110.124 -162.65 . . . . . . . . 3 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -170.5 -17.17 0.02 OUTLIER Glycine 0 N--CA 1.479 1.535 0 N-CA-C 116.951 1.54 . . . . 0.0 116.951 174.442 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -58.98 -33.21 72.94 Favored Glycine 0 CA--C 1.541 1.698 0 CA-C-N 120.214 2.007 . . . . 0.0 113.783 163.001 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 8.0 p-10 -161.52 172.48 16.33 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 127.974 2.51 . . . . 0.0 111.572 169.24 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.405 ' HA ' ' CE3' ' A' ' 41' ' ' TRP . . . -125.33 -23.9 4.05 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 125.752 1.621 . . . . 0.0 113.488 171.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -71.47 24.56 0.61 Allowed Glycine 0 CA--C 1.535 1.292 0 C-N-CA 125.625 1.583 . . . . 0.0 114.642 178.452 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.423 ' CD1' ' N ' ' A' ' 42' ' ' ASN . 13.6 p90 -53.45 -66.02 0.46 Allowed 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 126.517 1.927 . . . . 0.0 110.085 170.454 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.423 ' N ' ' CD1' ' A' ' 41' ' ' TRP . 34.2 m-80 -152.2 7.08 0.44 Allowed 'General case' 0 CA--C 1.555 1.144 1 C-N-CA 131.821 4.048 . . . . 0.0 109.031 164.467 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 26.5 mmmt 62.95 -27.31 0.07 Allowed 'General case' 0 N--CA 1.494 1.752 0 C-N-CA 128.765 2.826 . . . . 0.0 116.041 -164.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 64.5 m . . . . . 0 CA--C 1.55 0.973 0 N-CA-C 116.622 2.082 . . . . 0.0 116.622 -124.87 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 4.7 tmtp? . . . . . 0 N--CA 1.493 1.683 0 CA-C-O 119.522 -0.275 . . . . 0.01 111.275 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -111.64 -28.34 8.17 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 125.051 1.341 . . . . 0.0 110.823 165.247 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 29.1 t80 -137.52 -169.39 2.51 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 127.922 2.489 . . . . 0.0 109.725 160.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.78 18.79 0.04 OUTLIER Glycine 0 CA--C 1.53 0.995 0 N-CA-C 120.2 2.84 . . . . 0.0 120.2 175.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -129.6 81.09 2.0 Allowed 'General case' 0 N--CA 1.483 1.192 0 CA-C-N 120.355 2.077 . . . . 0.0 109.702 177.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 79.58 105.05 0.25 Allowed Glycine 0 N--CA 1.469 0.892 0 N-CA-C 108.398 -1.881 . . . . 0.0 108.398 -154.016 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . 0.295 0.3 OUTLIER 51.39 150.04 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.544 0.724 1 C-N-CA 133.626 4.771 . . . . 0.0 117.213 -170.542 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 62.8 m80 -112.04 -35.99 5.5 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 125.188 1.395 . . . . 0.0 114.691 -172.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.409 ' N ' ' HB2' ' A' ' 14' ' ' CYS 0.611 1.6 p -153.93 -128.63 0.03 OUTLIER 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 116.902 2.186 . . . . 0.0 116.902 158.165 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -155.28 -157.35 8.19 Favored Glycine 0 CA--C 1.542 1.729 0 C-N-CA 126.18 1.848 . . . . 0.0 111.233 -171.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -48.89 -20.52 0.51 Allowed 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 127.243 2.217 . . . . 0.0 115.019 177.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -37.79 -57.76 0.97 Allowed 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 126.774 2.03 . . . . 0.0 112.884 160.262 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 30.2 p 172.62 -44.97 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 127.453 2.301 . . . . 0.0 112.937 -176.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.409 ' HB2' ' N ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -74.42 -74.01 0.21 Allowed 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 124.38 1.072 . . . . 0.0 113.763 -160.768 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 6.1 m 52.89 -127.44 2.45 Favored 'General case' 0 CA--C 1.549 0.922 0 CA-C-O 117.752 -1.118 . . . . 0.0 110.463 -177.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 53.0 t 48.82 95.51 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 N-CA-C 117.465 2.394 . . . . 0.0 117.465 177.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.02 -1.81 41.78 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 113.246 0.832 . . . . 0.0 113.246 138.763 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 69.3 p-90 -121.87 -36.61 2.98 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 126.688 1.995 . . . . 0.0 115.428 -164.07 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -73.99 -22.12 78.34 Favored Glycine 0 N--CA 1.474 1.217 0 CA-C-N 119.889 1.222 . . . . 0.0 114.443 -172.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 10.4 p -65.1 -53.66 42.05 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 124.666 1.187 . . . . 0.0 110.57 164.368 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.08 -54.43 39.46 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.762 1.225 . . . . 0.0 111.957 177.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 6.3 pt -63.88 -26.34 40.35 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 N-CA-C 113.561 0.949 . . . . 0.0 113.561 175.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.71 -48.97 58.59 Favored Glycine 0 CA--C 1.524 0.639 0 C-N-CA 124.559 1.076 . . . . 0.0 112.431 171.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 35.2 m -51.51 -58.13 7.14 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.934 1.294 . . . . 0.0 112.149 171.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 28.1 mt -49.47 -63.99 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 126.506 1.922 . . . . 0.0 112.228 173.306 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.63 -43.27 99.49 Favored Glycine 0 CA--C 1.536 1.374 0 CA-C-N 119.317 0.962 . . . . 0.0 112.149 -164.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -61.62 -58.93 6.15 Favored 'General case' 0 C--N 1.346 0.428 0 C-N-CA 124.758 1.223 . . . . 0.0 112.377 176.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 65.6 m-80 -70.05 -29.54 66.58 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 113.069 0.766 . . . . 0.0 113.069 -174.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.79 -72.97 0.07 Allowed 'General case' 0 C--O 1.215 -0.759 0 CA-C-O 117.844 -1.074 . . . . 0.0 109.906 169.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.67 -17.53 55.88 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 114.784 1.401 . . . . 0.0 114.784 -172.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.54 -35.11 79.9 Favored 'General case' 0 CA--C 1.552 1.055 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 166.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 23.9 m120 -110.69 -38.52 5.14 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 115.212 1.56 . . . . 0.0 115.212 -176.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.408 ' CG ' ' N ' ' A' ' 34' ' ' ALA . 0.0 OUTLIER -178.63 -126.04 0.0 OUTLIER 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 128.18 2.592 . . . . 0.0 108.554 -154.252 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.482 ' O ' HG23 ' A' ' 35' ' ' THR . . . -126.36 -14.83 5.81 Favored 'General case' 0 CA--C 1.539 0.55 1 C-N-CA 131.831 4.053 . . . . 0.0 111.395 177.775 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.482 HG23 ' O ' ' A' ' 34' ' ' ALA . 7.5 p -158.23 57.95 0.46 Allowed 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 127.67 2.388 . . . . 0.0 112.756 163.444 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 76.68 10.09 86.05 Favored Glycine 0 C--N 1.349 1.277 0 O-C-N 119.231 -2.168 . . . . 0.0 114.437 158.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 68.04 -28.86 0.25 Allowed Glycine 0 CA--C 1.547 2.045 0 C-N-CA 125.194 1.378 . . . . 0.0 114.569 -168.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -153.62 7.3 0.36 Allowed 'General case' 0 CA--C 1.558 1.285 0 C-N-CA 126.279 1.832 . . . . 0.0 115.333 -174.038 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . 52.63 19.98 1.39 Allowed 'General case' 0 CA--C 1.553 1.078 0 N-CA-C 116.3 1.963 . . . . 0.0 116.3 -168.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.85 8.51 21.63 Favored Glycine 0 CA--C 1.537 1.462 0 C-N-CA 126.675 2.083 . . . . 0.0 115.198 -179.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 31.6 p90 -56.29 -47.2 79.11 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 119.613 1.706 . . . . 0.0 111.31 176.229 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -164.52 3.72 0.03 OUTLIER 'General case' 0 CA--C 1.563 1.452 0 C-N-CA 126.307 1.843 . . . . 0.0 114.352 150.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 26.3 pttm -41.75 144.13 0.44 Allowed 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 118.852 2.908 . . . . 0.0 118.852 -92.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 71.0 m . . . . . 0 C--O 1.257 1.484 0 C-N-CA 127.94 2.496 . . . . 0.0 112.077 175.627 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 29.5 mmtp . . . . . 0 N--CA 1.492 1.639 0 CA-C-O 117.856 -1.069 . . . . 0.01 110.102 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 35.3 p90 -136.55 16.35 3.14 Favored 'General case' 0 CA--C 1.56 1.337 0 C-N-CA 125.669 1.588 . . . . 0.0 113.32 177.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -60.99 116.73 4.72 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 126.462 1.905 . . . . 0.0 114.8 -173.362 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.05 8.22 0.67 Allowed Glycine 0 CA--C 1.547 2.044 0 C-N-CA 124.722 1.153 . . . . 0.0 114.866 154.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -147.27 80.73 1.52 Allowed 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 126.053 1.741 . . . . 0.0 111.656 179.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 56.38 -24.62 0.01 OUTLIER Glycine 0 CA--C 1.54 1.639 1 C-N-CA 131.637 4.446 . . . . 0.0 118.958 179.046 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -57.78 147.0 6.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 C-N-CA 129.628 3.171 . . . . 0.0 114.421 174.429 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 35.7 m80 -127.06 2.7 6.51 Favored 'General case' 0 N--CA 1.486 1.342 0 N-CA-C 114.331 1.234 . . . . 0.0 114.331 157.21 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.405 ' HB2' ' CA ' ' A' ' 10' ' ' GLY 0.554 14.6 p 144.2 -175.23 0.0 OUTLIER 'General case' 0 C--O 1.212 -0.877 1 C-N-CA 134.053 4.941 . . . . 0.0 116.657 165.734 . . . . . . . . 4 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.405 ' CA ' ' HB2' ' A' ' 9' ' ' CYS . . . 166.27 -157.1 29.42 Favored Glycine 0 C--N 1.34 0.784 2 C-N-CA 133.678 5.418 . . . . 0.0 110.426 10.039 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt -56.53 -5.24 0.19 Allowed 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 116.221 1.934 . . . . 0.0 116.221 171.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 71.7 m-70 -137.63 13.49 2.95 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 125.621 1.569 . . . . 0.0 114.756 -179.158 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 52.9 m 52.74 69.59 0.67 Allowed 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 126.829 2.052 . . . . 0.0 112.191 -172.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.1 m -67.3 -52.91 34.74 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 127.438 2.295 . . . . 0.0 112.026 177.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -144.85 160.26 41.57 Favored 'General case' 0 N--CA 1.499 2.002 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 152.069 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 91.8 t -131.55 96.7 2.66 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.723 0 C-N-CA 124.661 1.184 . . . . 0.0 112.498 -175.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -72.51 -36.34 68.34 Favored 'General case' 0 CA--C 1.56 1.34 0 CA-C-O 121.902 0.858 . . . . 0.0 111.215 152.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 35.6 p-90 -68.88 23.45 0.03 OUTLIER 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 129.716 3.206 . . . . 0.0 116.229 -177.332 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.37 -24.63 74.97 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 120.019 -1.675 . . . . 0.0 113.849 -176.432 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 36.0 m -65.15 -35.71 81.97 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 117.451 0.625 . . . . 0.0 111.457 170.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.25 -51.08 67.63 Favored 'General case' 0 C--N 1.344 0.364 0 CA-C-N 119.02 0.827 . . . . 0.0 112.072 174.11 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 8.5 pt -66.96 -24.14 31.96 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 N-CA-C 114.55 1.315 . . . . 0.0 114.55 173.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.72 -57.78 18.01 Favored Glycine 0 CA--C 1.537 1.416 0 C-N-CA 125.526 1.536 . . . . 0.0 111.691 162.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 85.3 m -52.96 -73.45 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 125.228 1.411 . . . . 0.0 112.387 175.06 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 2.1 mp -34.42 -55.63 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.726 0 C-N-CA 127.861 2.464 . . . . 0.0 113.423 169.387 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -73.54 -65.97 2.11 Favored Glycine 0 CA--C 1.537 1.421 0 O-C-N 120.041 -1.662 . . . . 0.0 116.063 -170.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 29.6 m120 -62.61 -42.38 99.54 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 123.978 0.911 . . . . 0.0 110.954 -175.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -79.78 -17.15 54.11 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-O 117.076 -1.44 . . . . 0.0 113.726 177.375 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.31 -59.8 4.2 Favored 'General case' 0 CA--C 1.502 -0.896 0 CA-C-N 121.583 1.992 . . . . 0.0 108.877 157.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.93 -22.5 65.66 Favored 'General case' 0 CA--C 1.561 1.4 0 CA-C-N 120.178 1.354 . . . . 0.0 113.625 -174.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -73.2 -25.67 60.86 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 115.913 1.82 . . . . 0.0 115.913 168.233 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . 0.253 29.2 p30 -115.94 -23.73 8.44 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 116.698 2.11 . . . . 0.0 116.698 -176.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 175.59 -135.24 0.0 OUTLIER 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 128.471 2.708 . . . . 0.0 109.596 -165.144 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -119.19 8.68 11.55 Favored 'General case' 0 CA--C 1.559 1.297 1 C-N-CA 132.857 4.463 . . . . 0.0 110.084 168.631 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 12.8 p 139.51 86.84 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.386 1 C-N-CA 135.088 5.355 . . . . 0.0 112.231 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 115.14 27.38 3.19 Favored Glycine 0 N--CA 1.475 1.262 0 O-C-N 120.282 -1.511 . . . . 0.0 115.28 147.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.65 -15.25 53.5 Favored Glycine 0 N--CA 1.476 1.363 0 CA-C-O 119.215 -0.769 . . . . 0.0 114.345 167.126 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -151.23 157.42 42.58 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 118.002 0.901 . . . . 0.0 112.658 169.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -80.17 9.28 5.81 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 114.911 1.448 . . . . 0.0 114.911 174.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -56.64 -13.64 8.23 Favored Glycine 0 CA--C 1.533 1.173 0 C-N-CA 128.201 2.81 . . . . 0.0 116.62 178.007 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.488 ' CD1' ' C ' ' A' ' 41' ' ' TRP . 0.0 OUTLIER -105.39 -42.59 5.2 Favored 'General case' 0 C--O 1.209 -1.049 0 CA-C-N 118.623 1.211 . . . . 0.0 113.334 150.786 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 46.5 m-80 -53.25 -2.24 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.262 0 N-CA-C 116.983 2.216 . . . . 0.0 116.983 -167.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.5 -65.68 0.39 Allowed 'General case' 0 N--CA 1.483 1.198 0 N-CA-C 115.368 1.618 . . . . 0.0 115.368 139.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 41.0 t . . . . . 0 C--O 1.252 1.197 1 C-N-CA 132.234 4.213 . . . . 0.0 112.178 -175.316 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 76.8 tttt . . . . . 0 N--CA 1.487 1.42 0 N-CA-C 110.565 -0.161 . . . . 0.01 110.565 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 72.2 20.29 4.23 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 126.71 2.004 . . . . 0.0 114.119 175.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 27.0 t80 -56.26 -50.99 69.79 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 126.204 1.802 . . . . 0.0 112.535 176.196 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 63.79 9.84 35.28 Favored Glycine 0 CA--C 1.531 1.052 0 N-CA-C 117.652 1.821 . . . . 0.0 117.652 164.059 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 10.1 m-80 -102.0 13.2 35.44 Favored 'General case' 0 CA--C 1.56 1.347 0 C-N-CA 125.686 1.594 . . . . 0.0 113.119 -178.57 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 151.62 -15.28 0.82 Allowed Glycine 0 N--CA 1.475 1.276 0 C-N-CA 125.488 1.518 . . . . 0.0 114.587 179.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -136.03 159.98 38.86 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.097 0 C-N-CA 127.918 2.487 . . . . 0.0 112.662 -176.477 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.4 p-80 -138.96 136.92 35.92 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 127.806 2.442 . . . . 0.0 111.456 159.049 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 68.7 m -90.93 70.42 6.43 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 124.871 1.268 . . . . 0.0 110.529 174.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -78.58 -73.95 1.07 Allowed Glycine 0 N--CA 1.47 0.922 0 C-N-CA 126.359 1.933 . . . . 0.0 113.505 -173.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 57.1 mtmt -70.53 1.05 5.59 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 125.529 1.532 . . . . 0.0 112.421 158.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 72.9 4.04 4.86 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 128.299 2.64 . . . . 0.0 115.331 175.284 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 23.7 p -62.34 -16.28 53.37 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.278 1.031 . . . . 0.0 113.577 160.344 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 72.9 m 61.41 81.82 0.18 Allowed 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 127.809 2.444 . . . . 0.0 112.356 177.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 18.4 p -133.88 172.32 12.96 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.101 1.36 . . . . 0.0 113.279 -164.404 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.638 HG13 ' H ' ' A' ' 19' ' ' GLY . 8.7 t -14.31 112.11 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 130.266 3.426 . . . . 0.0 115.878 -179.452 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -94.11 -24.4 17.57 Favored 'General case' 0 CA--C 1.563 1.443 0 CA-C-N 114.439 -1.255 . . . . 0.0 112.122 119.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 33.2 p-90 -63.34 -19.9 65.03 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 127.905 2.482 . . . . 0.0 116.379 -169.095 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.638 ' H ' HG13 ' A' ' 16' ' ' VAL . . . -52.43 -39.58 52.65 Favored Glycine 0 N--CA 1.475 1.265 0 C-N-CA 125.691 1.615 . . . . 0.0 113.539 -172.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 62.1 m -66.58 -45.53 78.96 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.35 1.46 . . . . 0.0 111.362 178.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.76 -57.36 12.76 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 125.259 1.424 . . . . 0.0 113.077 178.24 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 40.6 mm -65.64 -30.62 50.69 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.696 0 C-N-CA 124.559 1.143 . . . . 0.0 112.285 176.142 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.69 -47.86 78.86 Favored Glycine 0 CA--C 1.527 0.793 0 O-C-N 120.622 -1.299 . . . . 0.0 113.134 174.224 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.474 ' HB3' ' CD1' ' A' ' 41' ' ' TRP . 68.1 m -54.71 -62.56 1.58 Allowed 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 125.547 1.539 . . . . 0.0 111.222 173.346 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 52.7 mt -33.67 -66.3 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 126.817 2.047 . . . . 0.0 112.069 164.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -54.49 -52.24 46.34 Favored Glycine 0 CA--C 1.538 1.52 0 CA-C-N 119.757 1.162 . . . . 0.0 115.08 -171.185 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 45.4 t30 -61.64 -66.14 0.58 Allowed 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 124.174 0.99 . . . . 0.0 113.182 -178.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -79.48 -13.39 59.6 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 120.763 -1.21 . . . . 0.0 113.386 -174.448 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.91 -46.49 84.58 Favored 'General case' 0 C--N 1.347 0.463 0 CA-C-N 121.309 1.868 . . . . 0.0 112.675 160.429 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.3 -24.68 66.59 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 120.925 1.693 . . . . 0.0 113.068 179.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.36 -49.25 67.54 Favored 'General case' 0 CA--C 1.555 1.136 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 163.527 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -67.22 -50.99 58.65 Favored 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 126.175 1.79 . . . . 0.0 114.321 -177.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 172.92 -122.3 0.0 OUTLIER 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 127.747 2.419 . . . . 0.0 110.095 -137.705 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -145.13 -34.15 0.35 Allowed 'General case' 0 CA--C 1.547 0.85 1 C-N-CA 133.052 4.541 . . . . 0.0 110.325 -175.233 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -159.93 94.91 1.15 Allowed 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 128.673 2.789 . . . . 0.0 111.65 152.772 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 99.25 36.56 4.36 Favored Glycine 0 N--CA 1.47 0.955 0 C-N-CA 118.709 -1.71 . . . . 0.0 115.149 143.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -54.27 -17.66 8.37 Favored Glycine 0 CA--C 1.545 1.968 0 CA-C-N 118.053 0.926 . . . . 0.0 112.775 159.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 59.9 t30 -150.96 166.33 30.99 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.988 1.315 . . . . 0.0 113.28 167.02 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -76.88 20.3 0.25 Allowed 'General case' 0 CA--C 1.558 1.252 0 C-N-CA 127.399 2.28 . . . . 0.0 113.428 170.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -53.31 -32.25 43.96 Favored Glycine 0 CA--C 1.523 0.574 0 C-N-CA 127.194 2.33 . . . . 0.0 114.764 -178.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.475 ' CD1' ' C ' ' A' ' 41' ' ' TRP . 0.1 OUTLIER -97.62 -38.19 9.63 Favored 'General case' 0 C--O 1.217 -0.651 0 CA-C-O 117.603 -1.189 . . . . 0.0 112.661 156.228 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . 0.252 1.1 t-20 -57.14 2.25 0.03 OUTLIER 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 116.735 2.124 . . . . 0.0 116.735 -163.42 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.53 -45.09 2.2 Favored 'General case' 0 CA--C 1.551 0.982 0 N-CA-C 116.929 2.196 . . . . 0.0 116.929 141.24 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 65.5 m . . . . . 0 C--O 1.251 1.15 0 C-N-CA 125.099 1.359 . . . . 0.0 112.832 -175.032 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . 0.255 30.4 mmtt . . . . . 0 N--CA 1.49 1.574 0 CA-C-O 118.544 -0.741 . . . . 0.01 111.402 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -65.27 -24.59 67.35 Favored 'General case' 0 N--CA 1.484 1.265 0 CA-C-N 120.644 1.565 . . . . 0.0 114.051 -158.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 6.8 p90 -66.98 -20.74 65.94 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 127.714 2.406 . . . . 0.0 115.36 173.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 106.56 -150.33 16.79 Favored Glycine 0 CA--C 1.539 1.579 0 C-N-CA 124.641 1.115 . . . . 0.0 113.172 -166.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -80.03 -22.02 42.86 Favored 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 114.964 1.468 . . . . 0.0 114.964 -179.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -80.26 -161.86 25.17 Favored Glycine 0 CA--C 1.525 0.681 0 C-N-CA 126.679 2.085 . . . . 0.0 115.824 -173.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.799 HG13 ' H ' ' A' ' 8' ' ' HIS 0.481 2.9 p 49.6 -95.96 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 N-CA-C 119.361 3.097 . . . . 0.0 119.361 167.859 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.799 ' H ' HG13 ' A' ' 7' ' ' VAL . 2.1 m-70 97.07 99.11 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.888 1 C-N-CA 135.933 5.693 . . . . 0.0 109.55 -173.607 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 88.8 m -45.1 123.48 3.95 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 124.424 1.09 . . . . 0.0 110.278 179.641 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -105.95 3.34 38.48 Favored Glycine 0 N--CA 1.481 1.673 0 CA-C-N 119.74 1.155 . . . . 0.0 115.842 -160.009 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp 61.46 -26.33 0.05 OUTLIER 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 128.286 2.634 . . . . 0.0 115.627 -162.197 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -39.49 -53.12 2.1 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 128.765 2.826 . . . . 0.0 113.139 150.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 68.0 p 172.47 -169.67 0.03 OUTLIER 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 130.182 3.393 . . . . 0.0 107.003 -164.136 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 24.6 t -152.97 159.44 42.94 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 123.509 0.724 . . . . 0.0 109.364 166.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -142.86 -133.81 0.09 Allowed 'General case' 0 N--CA 1.493 1.689 0 C-N-CA 120.72 -0.392 . . . . 0.0 112.004 -177.269 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.4 p -146.19 -1.19 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.247 0 C-N-CA 127.22 2.208 . . . . 0.0 114.294 175.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.7 t70 102.34 -18.23 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.237 1 C-N-CA 132.971 4.509 . . . . 0.0 110.687 -177.281 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 14.4 p-90 -154.04 7.92 0.34 Allowed 'General case' 0 CA--C 1.554 1.135 0 N-CA-C 116.904 2.187 . . . . 0.0 116.904 -165.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -70.86 -40.04 64.28 Favored Glycine 0 CA--C 1.532 1.141 0 O-C-N 119.987 -1.696 . . . . 0.0 109.801 175.475 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.1 p -66.58 -31.89 72.88 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 125.414 1.486 . . . . 0.0 112.891 167.36 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.51 -51.21 70.41 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 125.052 1.341 . . . . 0.0 110.745 172.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 18.5 mm -62.25 -39.36 83.81 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.899 0 C-N-CA 123.729 0.812 . . . . 0.0 111.677 172.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.91 -46.91 91.89 Favored Glycine 0 CA--C 1.535 1.284 0 C-N-CA 123.824 0.726 . . . . 0.0 113.294 175.194 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 7.0 t -55.74 -74.08 0.05 OUTLIER 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 126.639 1.976 . . . . 0.0 111.07 169.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.7 mp -46.93 -40.37 4.94 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 C-N-CA 125.043 1.337 . . . . 0.0 112.595 -179.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -66.86 -53.9 24.7 Favored Glycine 0 CA--C 1.539 1.583 0 CA-C-N 121.795 2.088 . . . . 0.0 114.577 177.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -63.9 -44.07 94.11 Favored 'General case' 0 CA--C 1.54 0.563 0 O-C-N 121.207 -1.173 . . . . 0.0 111.517 178.058 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 27.2 m120 -67.24 -34.91 78.45 Favored 'General case' 0 CA--C 1.549 0.911 0 CA-C-O 118.06 -0.972 . . . . 0.0 113.135 176.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -51.37 -60.3 3.28 Favored 'General case' 0 C--O 1.216 -0.691 0 CA-C-N 120.246 1.385 . . . . 0.0 109.822 168.326 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.76 -21.86 66.62 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 120.399 1.454 . . . . 0.0 113.982 -177.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.21 -23.17 62.89 Favored 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 114.66 1.356 . . . . 0.0 114.66 169.167 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 9.9 p30 -107.31 -26.61 10.94 Favored 'General case' 0 C--O 1.24 0.593 0 N-CA-C 116.187 1.921 . . . . 0.0 116.187 176.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.446 ' CG ' ' N ' ' A' ' 34' ' ' ALA . 2.0 t-105 146.04 -101.61 0.0 OUTLIER 'General case' 0 CA--C 1.565 1.519 0 C-N-CA 130.368 3.467 . . . . 0.0 111.068 -156.535 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.446 ' N ' ' CG ' ' A' ' 33' ' ' TRP . . . -154.84 43.49 0.49 Allowed 'General case' 0 CA--C 1.563 1.445 0 C-N-CA 130.742 3.617 . . . . 0.0 107.365 -172.113 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . 0.356 6.5 t 56.09 79.86 0.16 Allowed 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 129.032 2.933 . . . . 0.0 112.055 -163.363 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -179.86 -15.47 0.03 OUTLIER Glycine 0 N--CA 1.472 1.048 0 CA-C-O 118.208 -1.329 . . . . 0.0 115.953 170.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -53.62 -56.31 20.81 Favored Glycine 0 CA--C 1.539 1.57 0 CA-C-N 119.832 1.816 . . . . 0.0 113.21 172.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.6 p-10 -164.29 145.68 8.48 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 127.111 2.164 . . . . 0.0 111.667 176.419 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -82.72 -17.21 45.14 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 125.46 1.504 . . . . 0.0 113.459 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -59.88 8.62 0.05 OUTLIER Glycine 0 CA--C 1.536 1.347 0 C-N-CA 126.873 2.178 . . . . 0.0 115.72 173.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 1.7 p90 -48.21 -41.46 27.33 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 127.76 2.424 . . . . 0.0 113.177 168.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 147.49 8.26 0.0 OUTLIER 'General case' 0 CA--C 1.557 1.217 1 C-N-CA 135.46 5.504 . . . . 0.0 113.651 -174.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 19.9 ptmt 1.28 82.38 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 129.745 3.218 . . . . 0.0 115.315 -174.182 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 8.9 p . . . . . 0 C--O 1.257 1.473 0 CA-C-N 113.632 -1.622 . . . . 0.0 113.937 -162.32 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 76.4 tttt . . . . . 0 N--CA 1.494 1.741 0 CA-C-O 118.789 -0.624 . . . . 0.01 111.621 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 46.0 p90 -130.79 21.73 5.01 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 114.798 1.407 . . . . 0.0 114.798 -175.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 71.1 t80 -34.77 114.6 0.23 Allowed 'General case' 0 C--N 1.354 0.802 0 N-CA-C 116.892 2.182 . . . . 0.0 116.892 -174.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.23 -75.47 1.3 Allowed Glycine 0 C--N 1.334 0.47 0 C-N-CA 127.003 2.239 . . . . 0.0 112.902 164.65 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -141.07 -6.79 1.07 Allowed 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 127.324 2.25 . . . . 0.0 113.837 175.342 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -135.18 -26.62 0.49 Allowed Glycine 0 N--CA 1.471 0.979 0 N-CA-C 116.965 1.546 . . . . 0.0 116.965 -162.026 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -64.97 157.63 5.02 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 CA-C-N 120.201 2.0 . . . . 0.0 112.514 -179.095 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -156.89 89.11 1.07 Allowed 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 127.865 2.466 . . . . 0.0 107.76 158.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.547 ' HB2' ' H ' ' A' ' 15' ' ' THR . 15.4 t -142.99 158.34 43.69 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.959 1.304 . . . . 0.0 112.142 -177.511 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -94.43 -110.51 2.26 Favored Glycine 0 N--CA 1.471 1.011 0 C-N-CA 126.223 1.868 . . . . 0.0 112.764 -178.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -106.1 -4.7 20.08 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 125.144 1.378 . . . . 0.0 111.998 175.053 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 5.5 t-80 -116.13 -124.69 0.29 Allowed 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.664 1.186 . . . . 0.0 112.257 -161.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 38.5 m -137.26 81.99 1.9 Allowed 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 126.834 2.054 . . . . 0.0 109.928 -165.408 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -128.32 -66.39 0.85 Allowed 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.19 1.396 . . . . 0.0 112.582 -166.736 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.547 ' H ' ' HB2' ' A' ' 9' ' ' CYS 0.272 42.6 p 54.04 -174.78 0.04 OUTLIER 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 129.311 3.044 . . . . 0.0 116.817 155.9 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.453 ' CA ' ' HB ' ' A' ' 15' ' ' THR . 8.0 p -140.42 128.82 25.18 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 2 C-N-CA 137.557 6.343 . . . . 0.0 111.313 4.265 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -62.73 -46.01 90.07 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 127.72 2.408 . . . . 0.0 114.275 177.469 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 34.1 p-90 -83.31 9.5 10.73 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 128.138 2.575 . . . . 0.0 114.262 178.04 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -60.16 -19.56 52.05 Favored Glycine 0 CA--C 1.529 0.939 0 C-N-CA 123.499 0.571 . . . . 0.0 114.337 173.191 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 29.2 p -60.79 -44.93 96.19 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 118.69 1.245 . . . . 0.0 113.339 168.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.94 -53.81 18.83 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 124.893 1.277 . . . . 0.0 112.191 177.094 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 21.8 pt -68.86 -17.22 21.79 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 N-CA-C 114.329 1.233 . . . . 0.0 114.329 176.44 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -82.7 -37.87 12.95 Favored Glycine 0 C--N 1.342 0.873 0 C-N-CA 125.05 1.31 . . . . 0.0 113.6 170.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 53.3 t -54.08 -52.16 61.84 Favored 'General case' 0 C--O 1.246 0.92 0 C-N-CA 125.162 1.385 . . . . 0.0 110.373 165.048 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.3 mp -53.06 -56.64 6.98 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.785 0 C-N-CA 123.629 0.771 . . . . 0.0 111.629 166.13 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.23 -44.47 84.19 Favored Glycine 0 CA--C 1.531 1.075 0 C-N-CA 125.381 1.467 . . . . 0.0 113.628 -169.342 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 50.3 m-80 -64.7 -55.61 18.94 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 112.767 0.655 . . . . 0.0 112.767 173.574 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 69.8 m-80 -74.12 -26.58 60.42 Favored 'General case' 0 CA--C 1.551 1.014 0 N-CA-C 114.539 1.311 . . . . 0.0 114.539 -172.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.61 -72.67 0.07 Allowed 'General case' 0 C--O 1.206 -1.207 0 CA-C-O 116.598 -1.668 . . . . 0.0 109.548 158.277 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.92 -9.27 28.03 Favored 'General case' 0 CA--C 1.553 1.072 0 CA-C-N 123.637 2.926 . . . . 0.0 115.656 -167.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.91 -61.08 2.65 Favored 'General case' 0 CA--C 1.547 0.845 0 O-C-N 120.406 -1.433 . . . . 0.0 112.915 154.456 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -153.28 94.08 1.78 Allowed 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 126.421 1.888 . . . . 0.0 110.619 170.678 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -153.35 -55.46 0.12 Allowed 'General case' 0 CA--C 1.554 1.128 0 C-N-CA 130.678 3.591 . . . . 0.0 108.653 2.793 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -143.96 68.78 1.27 Allowed 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 128.695 2.798 . . . . 0.0 107.607 169.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 41.6 p 44.33 44.4 6.71 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 126.371 1.868 . . . . 0.0 114.341 -164.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -158.96 -10.37 0.05 OUTLIER Glycine 0 N--CA 1.476 1.353 0 N-CA-C 118.791 2.276 . . . . 0.0 118.791 -175.499 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -73.06 -29.08 65.28 Favored Glycine 0 CA--C 1.532 1.119 0 CA-C-N 119.762 1.781 . . . . 0.0 114.542 177.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -144.05 -48.62 0.28 Allowed 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 115.684 1.735 . . . . 0.0 115.684 178.297 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . 58.9 -26.36 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 129.233 3.013 . . . . 0.0 116.96 -172.321 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -67.25 11.03 0.79 Allowed Glycine 0 CA--C 1.54 1.598 0 C-N-CA 126.151 1.834 . . . . 0.0 114.099 170.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 2.2 p90 -57.84 -54.81 42.74 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 126.953 2.101 . . . . 0.0 109.405 178.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 21.5 p30 -162.77 0.18 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 128.85 2.86 . . . . 0.0 113.779 163.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 25.2 pttm -27.81 138.95 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.289 0 N-CA-C 118.864 2.913 . . . . 0.0 118.864 -114.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.3 m . . . . . 0 C--O 1.257 1.448 0 CA-C-N 114.148 -1.387 . . . . 0.0 113.976 -157.684 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt . . . . . 0 N--CA 1.496 1.846 0 CA-C-O 119.257 -0.401 . . . . 0.01 111.497 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 55.2 m-85 85.46 95.06 0.03 OUTLIER 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 128.618 2.767 . . . . 0.0 111.924 171.164 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -135.21 -69.06 0.51 Allowed 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 125.851 1.661 . . . . 0.0 111.327 -175.504 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.72 12.66 83.98 Favored Glycine 0 N--CA 1.474 1.213 0 N-CA-C 117.44 1.736 . . . . 0.0 117.44 163.068 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -116.31 17.23 15.67 Favored 'General case' 0 CA--C 1.555 1.152 0 C-N-CA 125.88 1.672 . . . . 0.0 112.008 175.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 141.53 -155.61 25.35 Favored Glycine 0 CA--C 1.534 1.243 0 C-N-CA 127.266 2.365 . . . . 0.0 109.841 -161.646 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -20.84 136.2 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 C-N-CA 130.382 3.473 . . . . 0.0 117.336 176.507 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 49.4 m80 -114.99 152.98 31.47 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 125.429 1.491 . . . . 0.0 110.984 175.283 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 8.6 t -142.19 140.6 32.41 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 126.646 1.978 . . . . 0.0 111.419 -177.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -86.46 -104.31 0.78 Allowed Glycine 0 C--N 1.343 0.937 0 N-CA-C 109.095 -1.602 . . . . 0.0 109.095 167.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -115.93 -0.22 12.88 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.687 1.595 . . . . 0.0 113.279 167.078 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 18.3 t-80 -102.35 -82.91 0.47 Allowed 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 114.724 1.379 . . . . 0.0 114.724 -155.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.6 m -129.97 -7.85 4.42 Favored 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 116.067 1.877 . . . . 0.0 116.067 -166.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 36.8 m 54.28 92.68 0.02 OUTLIER 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 128.149 2.58 . . . . 0.0 113.622 177.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 16.7 p -121.64 -55.78 1.9 Allowed 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 115.478 1.658 . . . . 0.0 115.478 -148.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.539 HG13 ' H ' ' A' ' 19' ' ' GLY . 2.1 t -135.13 130.2 51.32 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 N-CA-C 113.85 1.055 . . . . 0.0 113.85 -152.195 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -128.09 -27.46 2.73 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-N 114.824 -1.08 . . . . 0.0 110.51 143.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 64.3 p-90 -53.47 -6.28 0.07 Allowed 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 129.975 3.31 . . . . 0.0 116.284 167.457 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.539 ' H ' HG13 ' A' ' 16' ' ' VAL . . . -52.03 -30.49 30.66 Favored Glycine 0 N--CA 1.473 1.117 0 C-N-CA 125.577 1.561 . . . . 0.0 113.648 162.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 36.3 p -59.29 -42.74 92.02 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 126.573 1.949 . . . . 0.0 112.42 170.057 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.08 -42.86 93.69 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.89 0.876 . . . . 0.0 112.345 175.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.0 mt -57.88 -49.52 80.81 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 122.987 0.515 . . . . 0.0 110.942 172.033 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.88 -40.43 98.84 Favored Glycine 0 N--CA 1.472 1.036 0 C-N-CA 123.826 0.727 . . . . 0.0 113.001 179.317 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 27.9 t -60.33 -52.37 65.56 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.219 1.408 . . . . 0.0 112.387 175.246 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.4 mp -52.68 -48.03 49.26 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 C-N-CA 125.204 1.402 . . . . 0.0 112.542 166.612 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -68.18 -41.31 86.85 Favored Glycine 0 CA--C 1.527 0.821 0 CA-C-N 119.64 1.109 . . . . 0.0 115.568 -173.054 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 19.6 t30 -59.92 -53.22 60.43 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.488 1.115 . . . . 0.0 110.622 173.034 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 67.4 m-80 -73.23 -23.75 60.4 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 114.382 1.253 . . . . 0.0 114.382 -178.121 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.21 -55.59 32.76 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 117.823 -1.084 . . . . 0.0 109.98 164.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.55 -26.17 68.3 Favored 'General case' 0 CA--C 1.561 1.387 0 CA-C-N 120.575 1.534 . . . . 0.0 113.349 -178.225 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.07 -45.81 79.97 Favored 'General case' 0 CA--C 1.547 0.849 0 O-C-N 121.248 -0.907 . . . . 0.0 113.356 167.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.68 -54.06 37.59 Favored 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 125.613 1.565 . . . . 0.0 114.487 175.159 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.4 ' CG ' ' N ' ' A' ' 34' ' ' ALA . 0.0 OUTLIER 157.86 -118.05 0.0 OUTLIER 'General case' 0 CA--C 1.564 1.5 0 C-N-CA 128.196 2.598 . . . . 0.0 110.231 -129.594 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.4 ' N ' ' CG ' ' A' ' 33' ' ' TRP . . . -146.22 9.87 1.12 Allowed 'General case' 0 CA--C 1.56 1.361 1 C-N-CA 132.053 4.141 . . . . 0.0 111.205 -179.023 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 22.0 p 118.84 100.49 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.787 1 C-N-CA 134.691 5.197 . . . . 0.0 110.218 -171.188 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 139.76 -16.29 3.07 Favored Glycine 0 N--CA 1.482 1.757 0 N-CA-C 116.312 1.285 . . . . 0.0 116.312 160.09 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -51.63 -39.63 46.33 Favored Glycine 0 CA--C 1.542 1.777 0 CA-C-N 120.139 1.97 . . . . 0.0 114.262 178.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -156.19 98.49 1.87 Allowed 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 125.907 1.683 . . . . 0.0 110.576 169.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.97 -19.67 63.04 Favored 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 174.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -58.74 6.62 0.04 OUTLIER Glycine 0 CA--C 1.551 2.32 0 C-N-CA 126.698 2.094 . . . . 0.0 114.786 164.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 1.5 p90 -50.61 -43.25 56.76 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 126.487 1.915 . . . . 0.0 112.642 172.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 149.66 25.34 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.969 1 C-N-CA 133.835 4.854 . . . . 0.0 111.461 -179.425 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 63.0 pttt -24.34 108.21 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 128.273 2.629 . . . . 0.0 116.392 -162.452 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 3.9 m . . . . . 0 C--O 1.252 1.2 0 CA-C-N 113.955 -1.475 . . . . 0.0 114.132 -151.667 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 9.4 ptpp? . . . . . 0 N--CA 1.483 1.219 0 N-CA-C 112.263 0.468 . . . . 0.01 112.263 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 72.84 14.06 4.97 Favored 'General case' 0 N--CA 1.492 1.641 0 C-N-CA 128.181 2.592 . . . . 0.0 115.42 178.233 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -62.76 -50.32 71.5 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 126.083 1.753 . . . . 0.0 110.943 172.363 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 56.27 85.42 0.03 OUTLIER Glycine 0 C--N 1.347 1.148 0 C-N-CA 127.035 2.255 . . . . 0.0 117.737 164.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -118.29 -77.95 0.58 Allowed 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.591 1.156 . . . . 0.0 109.473 164.041 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -119.03 -45.01 0.47 Allowed Glycine 0 N--CA 1.475 1.262 0 C-N-CA 125.99 1.757 . . . . 0.0 109.943 157.437 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -62.62 163.51 1.46 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.674 0 C-N-CA 127.876 2.47 . . . . 0.0 115.008 165.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 43.8 m-70 33.57 77.64 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 130.868 3.667 . . . . 0.0 114.581 167.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.2 m -102.35 -86.2 0.43 Allowed 'General case' 0 C--N 1.347 0.482 0 C-N-CA 123.311 0.644 . . . . 0.0 112.049 172.307 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 133.59 -140.66 11.99 Favored Glycine 0 CA--C 1.533 1.206 0 C-N-CA 125.552 1.549 . . . . 0.0 110.949 -164.073 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -57.75 -21.11 39.51 Favored 'General case' 0 N--CA 1.483 1.186 0 N-CA-C 114.251 1.204 . . . . 0.0 114.251 174.236 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -65.98 -9.74 32.91 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 116.38 1.993 . . . . 0.0 116.38 172.278 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.8 m 76.69 5.52 3.44 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 127.994 2.518 . . . . 0.0 116.997 168.014 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -66.12 -87.0 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 119.701 1.137 . . . . 0.0 110.8 172.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.1 m 61.01 -60.25 0.08 Allowed 'General case' 0 N--CA 1.485 1.316 0 N-CA-C 116.678 2.103 . . . . 0.0 116.678 166.213 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 47.9 t -119.95 83.16 0.76 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 C-N-CA 126.609 1.963 . . . . 0.0 112.495 -175.309 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -74.51 -27.76 60.68 Favored 'General case' 0 CA--C 1.554 1.128 0 CA-C-N 115.122 -0.945 . . . . 0.0 111.455 141.022 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 45.1 p-90 -76.85 11.33 1.77 Allowed 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 115.286 1.587 . . . . 0.0 115.286 -171.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.47 -22.8 75.12 Favored Glycine 0 CA--C 1.543 1.84 0 O-C-N 119.603 -1.936 . . . . 0.0 111.922 173.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 13.4 m -66.01 -32.02 73.25 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 121.391 -1.064 . . . . 0.0 112.373 165.677 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.77 -41.24 92.3 Favored 'General case' 0 CA--C 1.535 0.375 0 O-C-N 120.142 -1.599 . . . . 0.0 111.802 171.131 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 6.9 mm -59.61 -44.07 92.53 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 O-C-N 120.855 -1.153 . . . . 0.0 112.436 170.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.92 -46.6 93.24 Favored Glycine 0 CA--C 1.533 1.174 0 C-N-CA 123.591 0.615 . . . . 0.0 111.672 177.172 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 50.1 t -54.46 -64.84 0.7 Allowed 'General case' 0 CA--C 1.554 1.106 0 C-N-CA 126.996 2.118 . . . . 0.0 112.232 174.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.7 mp -53.74 -48.76 60.48 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.108 0 C-N-CA 124.538 1.135 . . . . 0.0 111.468 175.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.79 -51.15 57.09 Favored Glycine 0 CA--C 1.535 1.335 0 C-N-CA 124.623 1.106 . . . . 0.0 112.518 -173.022 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -66.62 -53.2 36.76 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 123.398 0.679 . . . . 0.0 111.997 177.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 68.5 m-80 -72.64 -38.95 67.55 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 121.049 -1.032 . . . . 0.0 112.589 -170.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.98 -37.58 88.12 Favored 'General case' 0 C--O 1.214 -0.794 0 O-C-N 120.135 -1.603 . . . . 0.0 112.258 169.165 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.0 -24.0 66.77 Favored 'General case' 0 CA--C 1.553 1.091 0 CA-C-N 121.551 1.978 . . . . 0.0 112.805 175.166 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.83 -21.94 50.72 Favored 'General case' 0 CA--C 1.557 1.212 0 N-CA-C 114.713 1.375 . . . . 0.0 114.713 165.362 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 54.6 m-80 -110.03 -4.95 15.57 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 117.154 2.279 . . . . 0.0 117.154 -176.207 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 147.26 -106.33 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.239 1 C-N-CA 132.193 4.197 . . . . 0.0 109.853 -162.746 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -165.0 -33.99 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.43 1 C-N-CA 132.239 4.216 . . . . 0.0 109.55 -173.738 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 17.6 p -139.85 65.28 1.43 Allowed 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 126.4 1.88 . . . . 0.0 112.1 151.281 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 76.87 84.33 0.47 Allowed Glycine 0 CA--C 1.54 1.624 0 CA-C-O 122.684 1.158 . . . . 0.0 115.487 153.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -58.06 -9.16 5.34 Favored Glycine 0 CA--C 1.547 2.042 0 CA-C-N 114.421 -0.889 . . . . 0.0 113.128 142.566 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -155.02 170.53 21.57 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 126.314 1.846 . . . . 0.0 109.592 170.108 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -132.49 -7.65 3.28 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.231 1.412 . . . . 0.0 114.094 176.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -72.64 14.07 2.73 Favored Glycine 0 CA--C 1.53 1.013 0 C-N-CA 126.405 1.955 . . . . 0.0 116.235 -179.358 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 19.4 p90 -49.91 -62.2 1.7 Allowed 'General case' 0 C--N 1.343 0.319 0 C-N-CA 126.297 1.839 . . . . 0.0 111.016 175.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -152.51 12.29 0.53 Allowed 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 128.314 2.645 . . . . 0.0 111.501 154.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt 46.77 173.13 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 125.9 1.68 . . . . 0.0 114.123 -141.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 58.1 m . . . . . 0 C--O 1.253 1.272 0 CA-C-O 118.089 -0.958 . . . . 0.0 111.055 125.047 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 9.8 tptp . . . . . 0 N--CA 1.494 1.728 0 CA-C-O 119.39 -0.338 . . . . 0.01 110.636 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -134.76 8.75 3.57 Favored 'General case' 0 CA--C 1.554 1.105 0 C-N-CA 125.949 1.7 . . . . 0.0 114.377 -168.654 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -75.04 -7.38 53.53 Favored 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 117.29 2.33 . . . . 0.0 117.29 -172.296 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 84.38 100.82 0.61 Allowed Glycine 0 CA--C 1.54 1.596 0 C-N-CA 124.957 1.265 . . . . 0.0 110.406 -169.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -63.39 10.57 0.04 OUTLIER 'General case' 0 N--CA 1.485 1.282 0 N-CA-C 118.465 2.765 . . . . 0.0 118.465 -160.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -74.92 -44.05 25.54 Favored Glycine 0 CA--C 1.539 1.578 0 CA-C-N 120.005 1.275 . . . . 0.0 111.541 161.034 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.0 t -68.06 152.28 9.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 C-N-CA 126.428 1.891 . . . . 0.0 110.989 157.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 4.1 m80 -140.35 106.63 5.26 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 124.342 1.057 . . . . 0.0 109.627 165.527 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 72.9 m -81.35 164.65 21.99 Favored 'General case' 0 CA--C 1.551 0.991 0 O-C-N 121.312 -0.868 . . . . 0.0 110.371 164.512 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 164.5 -160.82 33.97 Favored Glycine 0 N--CA 1.479 1.51 0 C-N-CA 124.298 0.951 . . . . 0.0 110.991 -173.244 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -72.01 40.97 0.08 Allowed 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 125.854 1.662 . . . . 0.0 112.047 167.169 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -131.32 -118.2 0.22 Allowed 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 127.572 2.349 . . . . 0.0 110.476 178.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 27.9 m -137.97 1.75 2.3 Favored 'General case' 0 CA--C 1.558 1.276 0 N-CA-C 114.527 1.306 . . . . 0.0 114.527 -168.395 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 92.4 m 62.95 86.71 0.11 Allowed 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 125.711 1.604 . . . . 0.0 109.556 -159.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 72.6 p -71.5 170.86 12.43 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 125.014 1.326 . . . . 0.0 112.046 -176.046 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.41 HG13 ' H ' ' A' ' 19' ' ' GLY . 37.7 t -99.71 115.51 40.83 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 N-CA-C 115.362 1.616 . . . . 0.0 115.362 -156.494 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -99.8 -24.04 14.8 Favored 'General case' 0 CA--C 1.552 1.041 0 CA-C-N 114.123 -1.399 . . . . 0.0 112.689 118.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 55.7 p-90 -59.83 -43.6 94.5 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 124.543 1.137 . . . . 0.0 113.606 -174.202 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.41 ' H ' HG13 ' A' ' 16' ' ' VAL . . . -73.07 -16.27 78.5 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 114.823 0.689 . . . . 0.0 114.823 178.517 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 23.0 m -73.8 -41.31 62.53 Favored 'General case' 0 N--CA 1.476 0.843 0 O-C-N 121.025 -1.279 . . . . 0.0 111.074 167.352 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.64 -54.63 44.17 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.184 0.994 . . . . 0.0 111.868 174.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 7.5 pt -68.59 -25.85 31.86 Favored 'Isoleucine or valine' 0 C--N 1.348 0.513 0 CA-C-N 119.12 0.873 . . . . 0.0 112.738 174.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.18 -50.61 65.94 Favored Glycine 0 CA--C 1.547 2.085 0 C-N-CA 124.502 1.049 . . . . 0.0 111.567 171.219 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 70.9 m -56.48 -70.2 0.13 Allowed 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.864 0.865 . . . . 0.0 111.281 171.102 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.7 mp -52.04 -42.41 34.56 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 C-N-CA 124.615 1.166 . . . . 0.0 111.407 -173.326 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.3 -58.66 13.27 Favored Glycine 0 CA--C 1.538 1.524 0 O-C-N 120.963 -1.085 . . . . 0.0 114.052 177.39 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 36.2 t30 -64.61 -51.73 61.15 Favored 'General case' 0 C--O 1.241 0.64 0 C-N-CA 123.567 0.747 . . . . 0.0 112.641 178.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -63.89 -40.8 97.36 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.432 1.093 . . . . 0.0 111.661 -177.348 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.83 -38.71 83.56 Favored 'General case' 0 C--O 1.217 -0.616 0 O-C-N 120.421 -1.424 . . . . 0.0 113.051 171.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.6 -24.52 66.74 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 120.167 1.349 . . . . 0.0 112.883 178.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -74.85 -40.72 60.85 Favored 'General case' 0 CA--C 1.552 1.039 0 N-CA-C 114.293 1.219 . . . . 0.0 114.293 166.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 34.2 m-80 -74.01 -42.3 60.56 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 125.386 1.475 . . . . 0.0 114.231 -179.349 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 170.8 -113.43 0.0 OUTLIER 'General case' 0 CA--C 1.557 1.247 0 C-N-CA 127.989 2.516 . . . . 0.0 108.783 -147.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -154.19 -39.04 0.09 Allowed 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 131.575 3.95 . . . . 0.0 109.28 -171.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 16.7 p -146.18 81.55 1.59 Allowed 'General case' 0 C--N 1.349 0.587 0 C-N-CA 127.595 2.358 . . . . 0.0 111.825 150.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 79.79 71.43 1.26 Allowed Glycine 0 C--N 1.346 1.101 0 C-N-CA 118.83 -1.652 . . . . 0.0 114.16 148.213 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -58.84 -6.54 3.81 Favored Glycine 0 CA--C 1.552 2.368 0 CA-C-O 119.734 -0.481 . . . . 0.0 113.137 146.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -150.31 178.8 8.67 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 125.287 1.435 . . . . 0.0 111.365 164.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -130.63 -20.26 2.92 Favored 'General case' 0 CA--C 1.559 1.298 0 C-N-CA 125.872 1.669 . . . . 0.0 113.573 170.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -66.98 20.66 0.21 Allowed Glycine 0 CA--C 1.538 1.504 0 O-C-N 120.059 -1.651 . . . . 0.0 115.201 169.303 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 6.1 p90 -55.41 -45.53 76.71 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.657 1.583 . . . . 0.0 112.01 167.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 153.13 20.28 0.0 OUTLIER 'General case' 0 CA--C 1.555 1.159 1 C-N-CA 133.855 4.862 . . . . 0.0 111.794 -175.649 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 20.7 pttp -15.05 94.5 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.949 0 C-N-CA 127.639 2.376 . . . . 0.0 116.443 -172.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 68.1 m . . . . . 0 C--O 1.258 1.537 0 CA-C-O 117.8 -1.095 . . . . 0.0 113.357 -162.471 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 121.479 0.657 . . . . 0.01 112.703 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 -132.66 14.24 4.43 Favored 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 115.076 1.51 . . . . 0.0 115.076 -172.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 29.0 t80 -47.36 -55.94 7.86 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 127.841 2.456 . . . . 0.0 114.552 -176.636 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.72 171.99 16.56 Favored Glycine 0 CA--C 1.538 1.514 0 C-N-CA 125.802 1.668 . . . . 0.0 113.056 -176.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 59.84 -22.91 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 129.5 3.12 . . . . 0.0 116.115 -174.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 113.77 1.55 24.2 Favored Glycine 0 CA--C 1.532 1.141 0 C-N-CA 127.923 2.677 . . . . 0.0 112.725 -171.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -61.86 148.24 10.27 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 CA-C-N 118.982 1.391 . . . . 0.0 111.371 173.158 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.3 p-80 -141.42 108.69 5.52 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 125.479 1.512 . . . . 0.0 111.982 -175.655 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 57.2 m -77.22 164.89 25.2 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.055 0.942 . . . . 0.0 112.123 168.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -154.17 16.58 0.6 Allowed Glycine 0 CA--C 1.528 0.856 0 C-N-CA 125.549 1.547 . . . . 0.0 115.486 -169.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 30.5 mtpp 52.2 27.13 4.4 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 126.283 1.833 . . . . 0.0 114.792 -167.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 38.0 m-70 -116.33 -87.7 0.6 Allowed 'General case' 0 C--O 1.235 0.311 0 C-N-CA 125.616 1.566 . . . . 0.0 111.487 172.127 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 49.7 m -133.08 -12.26 2.86 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 125.657 1.583 . . . . 0.0 114.013 -178.146 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 8.4 m 65.66 158.97 0.11 Allowed 'General case' 0 C--O 1.24 0.566 0 C-N-CA 128.002 2.521 . . . . 0.0 112.717 -170.255 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.2 m -142.92 147.91 36.05 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.781 1.232 . . . . 0.0 110.166 -169.603 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -81.81 161.27 3.69 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 125.362 1.465 . . . . 0.0 112.755 -175.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -71.6 -33.23 68.84 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 128.488 2.715 . . . . 0.0 112.24 163.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . 0.287 7.8 m95 101.18 -54.33 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.371 1 C-N-CA 132.494 4.317 . . . . 0.0 117.066 165.621 . . . . . . . . 3 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -63.37 -25.62 68.69 Favored Glycine 0 CA--C 1.541 1.694 0 CA-C-N 120.127 1.331 . . . . 0.0 113.722 -167.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 22.8 m -60.5 -39.64 88.45 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.339 1.056 . . . . 0.0 113.47 168.468 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.59 -41.34 84.26 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 119.36 0.982 . . . . 0.0 111.463 176.276 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 5.0 mt -60.81 -43.55 95.66 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 124.165 0.986 . . . . 0.0 111.356 173.52 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.3 -56.35 24.8 Favored Glycine 0 CA--C 1.542 1.75 0 C-N-CA 124.732 1.158 . . . . 0.0 113.489 170.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 4.6 t -48.98 -56.12 9.87 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 126.352 1.861 . . . . 0.0 111.38 175.516 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 41.0 mt -53.69 -61.94 0.79 Allowed 'Isoleucine or valine' 0 C--O 1.223 -0.315 0 C-N-CA 125.994 1.718 . . . . 0.0 112.351 172.113 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.13 -41.26 99.7 Favored Glycine 0 CA--C 1.531 1.052 0 CA-C-N 118.992 0.814 . . . . 0.0 114.194 -168.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -61.83 -55.17 32.74 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.731 0.813 . . . . 0.0 111.845 174.11 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -75.47 -24.9 57.01 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 114.374 1.25 . . . . 0.0 114.374 -175.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.48 -63.62 1.09 Allowed 'General case' 0 C--O 1.216 -0.674 0 O-C-N 120.071 -1.643 . . . . 0.0 109.068 165.132 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.25 -24.42 64.87 Favored 'General case' 0 CA--C 1.552 1.04 0 N-CA-C 113.561 0.948 . . . . 0.0 113.561 -175.024 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.98 -41.98 94.95 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 114.898 1.444 . . . . 0.0 114.898 167.257 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 27.3 m120 -89.92 -40.0 12.66 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 114.504 1.298 . . . . 0.0 114.504 -178.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 175.51 -123.83 0.0 OUTLIER 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 129.393 3.077 . . . . 0.0 109.115 -151.196 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -137.71 -20.75 1.15 Allowed 'General case' 0 CA--C 1.546 0.796 1 C-N-CA 132.125 4.17 . . . . 0.0 111.054 -177.814 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.3 p -148.94 73.51 1.22 Allowed 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.768 1.627 . . . . 0.0 111.095 152.051 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 78.95 8.65 87.71 Favored Glycine 0 N--CA 1.479 1.527 0 O-C-N 119.634 -1.916 . . . . 0.0 115.37 147.122 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.61 8.94 42.24 Favored Glycine 0 CA--C 1.543 1.783 0 CA-C-N 119.266 1.533 . . . . 0.0 113.744 -162.468 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.2 p30 127.63 -32.3 0.01 OUTLIER 'General case' 0 CA--C 1.551 1.003 1 C-N-CA 137.048 6.139 . . . . 0.0 113.384 177.212 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -159.11 -4.55 0.07 Allowed 'General case' 0 CA--C 1.556 1.176 0 N-CA-C 117.28 2.326 . . . . 0.0 117.28 -169.213 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -64.52 -6.05 20.22 Favored Glycine 0 CA--C 1.536 1.36 0 N-CA-C 117.644 1.818 . . . . 0.0 117.644 -157.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.508 ' CD1' ' HA ' ' A' ' 43' ' ' LYS . 39.1 p90 -67.07 -49.91 63.51 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-N 119.589 1.695 . . . . 0.0 112.918 178.713 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.2 p30 170.57 21.7 0.0 OUTLIER 'General case' 0 CA--C 1.56 1.341 0 C-N-CA 129.812 3.245 . . . . 0.0 112.826 171.231 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.508 ' HA ' ' CD1' ' A' ' 41' ' ' TRP 0.337 25.9 pttm -32.99 103.13 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 117.424 2.379 . . . . 0.0 117.424 -104.838 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 C--O 1.253 1.237 0 C-N-CA 125.303 1.441 . . . . 0.0 112.37 154.026 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.472 ' HE3' ' CZ ' ' A' ' 2' ' ' TYR . 64.6 pttt . . . . . 0 N--CA 1.488 1.438 0 CA-C-O 119.0 -0.524 . . . . 0.01 110.93 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.472 ' CZ ' ' HE3' ' A' ' 1' ' ' LYS . 46.2 m-85 56.74 36.46 27.71 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 125.371 1.468 . . . . 0.0 113.528 -177.48 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -64.55 -35.33 80.62 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 128.297 2.639 . . . . 0.0 114.418 -173.721 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 56.33 17.39 18.18 Favored Glycine 0 CA--C 1.545 1.965 0 C-N-CA 126.516 2.008 . . . . 0.0 116.969 -174.009 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 27.4 m-80 -129.34 51.4 2.06 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 119.543 1.672 . . . . 0.0 112.259 -172.008 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 66.07 -31.35 0.15 Allowed Glycine 0 CA--C 1.541 1.681 1 C-N-CA 131.903 4.573 . . . . 0.0 116.02 172.468 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.885 HG23 ' H ' ' A' ' 16' ' ' VAL . 6.1 p -46.5 157.75 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.447 -0.597 0 C-N-CA 130.767 3.627 . . . . 0.0 115.592 171.034 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 17.4 m80 -132.51 96.26 3.8 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 126.382 1.873 . . . . 0.0 108.83 158.083 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 76.8 m -44.17 135.87 4.17 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 125.415 1.486 . . . . 0.0 113.058 178.347 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -127.07 5.33 7.33 Favored Glycine 0 N--CA 1.475 1.283 0 C-N-CA 124.989 1.281 . . . . 0.0 115.111 -162.598 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . 0.281 20.9 ptmt 46.23 39.03 5.61 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 125.526 1.53 . . . . 0.0 113.359 -158.358 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 60.9 m170 -115.48 -6.92 12.28 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 126.686 1.994 . . . . 0.0 115.453 177.227 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 71.2 m -84.3 -71.46 0.51 Allowed 'General case' 0 N--CA 1.472 0.655 1 C-N-CA 137.108 6.163 . . . . 0.0 112.158 5.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 17.3 t -148.25 125.04 11.19 Favored 'General case' 0 C--O 1.241 0.652 0 C-N-CA 125.317 1.447 . . . . 0.0 109.16 -175.162 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 8.8 p -136.68 -23.91 1.19 Allowed 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 119.367 3.099 . . . . 0.0 119.367 -138.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.885 ' H ' HG23 ' A' ' 7' ' ' VAL 0.324 2.1 t -125.29 -174.22 0.99 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 C-N-CA 126.586 1.954 . . . . 0.0 114.051 -149.097 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.538 ' H ' HG13 ' A' ' 16' ' ' VAL . 4.6 t70 132.36 -47.23 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.304 1 C-N-CA 135.378 5.471 . . . . 0.0 106.797 -167.477 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 62.3 p-90 -62.88 -42.9 99.94 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.281 1.032 . . . . 0.0 111.944 163.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -67.63 -22.46 73.44 Favored Glycine 0 N--CA 1.478 1.459 0 O-C-N 119.954 -1.716 . . . . 0.0 113.307 179.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 17.0 m -68.19 -36.28 79.33 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 117.916 0.858 . . . . 0.0 110.703 172.172 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.47 -51.96 67.22 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 124.865 1.266 . . . . 0.0 110.659 168.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 35.5 mm -55.8 -41.05 64.64 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 C-N-CA 123.185 0.594 . . . . 0.0 111.387 175.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.32 -46.34 79.34 Favored Glycine 0 N--CA 1.472 1.042 0 C-N-CA 123.968 0.794 . . . . 0.0 113.264 176.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 39.4 t -50.91 -60.98 2.5 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 126.919 2.088 . . . . 0.0 111.28 172.391 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.7 mp -54.18 -56.13 11.15 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 C-N-CA 125.693 1.597 . . . . 0.0 111.286 173.466 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -57.79 -49.46 74.15 Favored Glycine 0 CA--C 1.534 1.223 0 C-N-CA 125.333 1.444 . . . . 0.0 115.298 -171.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -64.41 -45.77 86.17 Favored 'General case' 0 C--O 1.241 0.613 0 C-N-CA 124.046 0.938 . . . . 0.0 111.138 177.242 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 69.6 m-80 -76.53 -30.59 57.21 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-O 118.105 -0.95 . . . . 0.0 113.278 -177.273 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -49.9 -65.98 0.47 Allowed 'General case' 0 C--O 1.214 -0.766 0 C-N-CA 125.221 1.409 . . . . 0.0 109.749 165.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.28 -23.99 67.5 Favored 'General case' 0 CA--C 1.553 1.058 0 CA-C-N 120.565 1.53 . . . . 0.0 113.605 -175.343 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.65 -19.86 63.6 Favored 'General case' 0 CA--C 1.551 1.005 0 N-CA-C 114.624 1.342 . . . . 0.0 114.624 167.466 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -112.81 -23.65 10.02 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 116.868 2.173 . . . . 0.0 116.868 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.42 ' CG ' ' N ' ' A' ' 34' ' ' ALA . 1.2 t-105 141.12 -105.38 0.0 OUTLIER 'General case' 0 CA--C 1.553 1.076 0 C-N-CA 131.076 3.75 . . . . 0.0 110.99 -155.296 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.42 ' N ' ' CG ' ' A' ' 33' ' ' TRP . . . -147.79 8.81 0.88 Allowed 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 130.072 3.349 . . . . 0.0 111.294 -170.549 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . 0.256 80.7 p 102.56 66.2 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.344 1 C-N-CA 133.32 4.648 . . . . 0.0 110.124 -162.65 . . . . . . . . 3 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -170.5 -17.17 0.02 OUTLIER Glycine 0 N--CA 1.479 1.535 0 N-CA-C 116.951 1.54 . . . . 0.0 116.951 174.442 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -58.98 -33.21 72.94 Favored Glycine 0 CA--C 1.541 1.698 0 CA-C-N 120.214 2.007 . . . . 0.0 113.783 163.001 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 8.0 p-10 -161.52 172.48 16.33 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 127.974 2.51 . . . . 0.0 111.572 169.24 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.405 ' HA ' ' CE3' ' A' ' 41' ' ' TRP . . . -125.33 -23.9 4.05 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 125.752 1.621 . . . . 0.0 113.488 171.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -71.47 24.56 0.61 Allowed Glycine 0 CA--C 1.535 1.292 0 C-N-CA 125.625 1.583 . . . . 0.0 114.642 178.452 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.423 ' CD1' ' N ' ' A' ' 42' ' ' ASN . 13.6 p90 -53.45 -66.02 0.46 Allowed 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 126.517 1.927 . . . . 0.0 110.085 170.454 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.423 ' N ' ' CD1' ' A' ' 41' ' ' TRP . 34.2 m-80 -152.2 7.08 0.44 Allowed 'General case' 0 CA--C 1.555 1.144 1 C-N-CA 131.821 4.048 . . . . 0.0 109.031 164.467 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 26.5 mmmt 62.95 -27.31 0.07 Allowed 'General case' 0 N--CA 1.494 1.752 0 C-N-CA 128.765 2.826 . . . . 0.0 116.041 -164.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 64.5 m . . . . . 0 CA--C 1.55 0.973 0 N-CA-C 116.622 2.082 . . . . 0.0 116.622 -124.87 . . . . . . . . 0 0 . 1 stop_ save_