==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 22-AUG-01 1GKZ . COMPND 2 MOLECULE: [3-METHYL-2-OXOBUTANOATE DEHYDROGENASE . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR M.MACHIUS,J.L.CHUANG,R.M.WYNN,D.R.TOMCHICK,D.T.CHUANG . 316 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16201.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 229 72.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 1.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 33 10.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 19 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 137 43.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 1 0 0 0 0 0 0 2 0 0 0 0 0 1 0 1 2 0 0 0 0 2 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 3 0 0 0 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 38 A V 0 0 74 0, 0.0 2,-0.5 0, 0.0 9,-0.2 0.000 360.0 360.0 360.0 -91.1 105.3 123.2 67.4 2 39 A R E -A 9 0A 47 7,-2.0 7,-3.1 152,-0.0 2,-0.2 -0.835 360.0-165.1 -93.0 127.5 104.6 122.0 63.8 3 40 A L E +A 8 0A 85 -2,-0.5 5,-0.2 5,-0.2 0, 0.0 -0.518 21.2 166.3-106.0 176.7 107.0 123.7 61.4 4 41 A T S S- 0 0 44 3,-1.0 -1,-0.1 -2,-0.2 4,-0.1 0.223 73.7 -17.2-152.2 -74.3 107.0 124.0 57.6 5 42 A P S S- 0 0 46 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 0.769 122.5 -49.3-108.0 -53.7 109.2 126.5 55.8 6 43 A T S S+ 0 0 128 0, 0.0 2,-0.3 0, 0.0 -3,-0.0 0.016 117.0 102.2-165.2 8.3 110.2 129.0 58.6 7 44 A M - 0 0 1 2,-0.0 -3,-1.0 23,-0.0 2,-0.4 -0.735 61.2-143.5-101.4 153.6 106.6 129.4 59.8 8 45 A M E -A 3 0A 58 -2,-0.3 2,-0.7 -5,-0.2 -5,-0.2 -0.967 6.4-154.1-123.8 134.9 105.2 127.7 62.9 9 46 A L E -A 2 0A 0 -7,-3.1 -7,-2.0 -2,-0.4 2,-0.2 -0.923 28.7-132.6-106.3 111.5 101.7 126.3 63.5 10 47 A Y - 0 0 52 -2,-0.7 2,-1.2 -9,-0.2 13,-0.0 -0.454 4.8-146.6 -71.5 129.1 101.1 126.4 67.3 11 48 A S - 0 0 53 -2,-0.2 2,-0.4 141,-0.1 -1,-0.1 -0.788 32.3-134.8 -93.4 93.8 99.7 123.3 69.1 12 49 A G - 0 0 27 -2,-1.2 2,-3.5 1,-0.1 3,-0.1 -0.359 16.2-152.2 -64.3 112.0 97.6 125.1 71.7 13 50 A R - 0 0 198 -2,-0.4 5,-0.2 1,-0.2 6,-0.1 -0.269 34.9-162.5 -73.3 55.1 97.8 123.9 75.3 14 51 A S >> + 0 0 68 -2,-3.5 5,-0.9 1,-0.2 4,-0.8 0.562 41.3 122.1 -3.5-104.6 94.2 125.3 75.4 15 52 A Q T 45S+ 0 0 144 1,-0.2 2,-1.2 2,-0.2 -1,-0.2 -0.474 85.9 11.1 68.6-120.1 93.2 125.8 79.1 16 53 A D T 45S- 0 0 148 -2,-0.4 -1,-0.2 1,-0.1 -2,-0.1 -0.428 110.4 -94.5 -89.7 58.2 92.3 129.5 79.8 17 54 A G T 45S+ 0 0 15 -2,-1.2 4,-0.5 1,-0.2 -2,-0.2 0.708 94.8 128.8 36.9 25.4 92.2 130.5 76.1 18 55 A S T >X5 + 0 0 69 -4,-0.8 4,-1.3 1,-0.2 3,-1.2 0.878 57.3 60.0 -73.9 -42.0 95.7 131.5 76.9 19 56 A H H 3> S+ 0 0 16 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.824 99.6 49.8 -60.5 -37.8 95.3 131.8 71.7 21 58 A L H <> S+ 0 0 30 -3,-1.2 4,-2.3 -4,-0.5 -1,-0.2 0.879 109.6 50.4 -71.1 -39.8 97.0 135.0 72.9 22 59 A K H X S+ 0 0 141 -4,-1.3 4,-1.6 2,-0.2 -2,-0.2 0.898 115.4 43.8 -64.4 -40.2 100.4 133.6 72.3 23 60 A S H X S+ 0 0 7 -4,-2.1 4,-3.0 2,-0.2 -2,-0.2 0.871 112.6 51.5 -71.5 -41.0 99.3 132.5 68.7 24 61 A G H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.908 110.2 49.2 -64.0 -41.4 97.6 135.8 68.0 25 62 A R H X S+ 0 0 87 -4,-2.3 4,-1.3 2,-0.2 -1,-0.2 0.896 112.1 48.8 -65.4 -39.2 100.7 137.7 69.0 26 63 A Y H >X S+ 0 0 34 -4,-1.6 4,-2.0 2,-0.2 3,-0.8 0.968 113.1 46.3 -63.7 -51.7 102.8 135.5 66.8 27 64 A L H 3X S+ 0 0 1 -4,-3.0 4,-2.8 1,-0.3 -2,-0.2 0.904 111.2 54.1 -55.0 -43.3 100.5 135.9 63.8 28 65 A Q H 3< S+ 0 0 26 -4,-2.7 -1,-0.3 1,-0.2 -2,-0.2 0.759 112.6 42.0 -66.1 -27.0 100.4 139.7 64.5 29 66 A Q H << S+ 0 0 142 -4,-1.3 4,-0.4 -3,-0.8 -1,-0.2 0.716 118.6 47.6 -90.2 -21.6 104.2 139.9 64.4 30 67 A E H X S+ 0 0 48 -4,-2.0 4,-1.9 -5,-0.2 3,-0.3 0.896 100.1 59.9 -87.1 -44.6 104.5 137.6 61.4 31 68 A L H X S+ 0 0 8 -4,-2.8 4,-2.3 1,-0.2 5,-0.2 0.854 101.7 50.5 -58.3 -42.0 101.9 138.8 58.9 32 69 A P H > S+ 0 0 23 0, 0.0 4,-2.8 0, 0.0 -1,-0.2 0.890 109.4 51.9 -69.2 -31.3 103.1 142.4 58.3 33 70 A V H > S+ 0 0 71 -4,-0.4 4,-2.1 -3,-0.3 -2,-0.2 0.934 112.6 45.3 -65.5 -45.8 106.7 141.2 57.6 34 71 A R H X S+ 0 0 30 -4,-1.9 4,-1.3 1,-0.2 -1,-0.2 0.882 112.7 51.1 -67.1 -36.7 105.5 138.7 55.0 35 72 A I H X S+ 0 0 11 -4,-2.3 4,-1.8 -5,-0.2 3,-0.3 0.944 108.4 52.6 -65.6 -43.8 103.2 141.3 53.5 36 73 A A H X S+ 0 0 37 -4,-2.8 4,-2.6 1,-0.2 3,-0.3 0.930 103.6 56.6 -58.2 -44.4 106.1 143.8 53.2 37 74 A H H X S+ 0 0 109 -4,-2.1 4,-1.4 1,-0.3 -1,-0.2 0.884 108.3 47.8 -55.4 -40.9 108.3 141.3 51.4 38 75 A R H X S+ 0 0 21 -4,-1.3 4,-2.0 -3,-0.3 -1,-0.3 0.809 107.2 55.4 -71.9 -29.7 105.7 140.9 48.7 39 76 A I H X S+ 0 0 14 -4,-1.8 4,-2.6 -3,-0.3 -2,-0.2 0.940 106.4 51.8 -65.8 -39.3 105.3 144.7 48.4 40 77 A K H X S+ 0 0 138 -4,-2.6 4,-1.2 1,-0.2 -2,-0.2 0.889 106.5 57.0 -60.6 -36.1 109.1 144.8 47.7 41 78 A G H < S+ 0 0 17 -4,-1.4 4,-0.4 -5,-0.2 3,-0.4 0.913 107.8 44.0 -62.1 -47.1 108.3 142.2 45.1 42 79 A F H >< S+ 0 0 5 -4,-2.0 3,-1.1 1,-0.2 -1,-0.2 0.890 109.7 58.2 -66.3 -36.9 105.8 144.4 43.3 43 80 A R H 3< S+ 0 0 182 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.786 108.5 45.9 -63.0 -23.7 108.2 147.4 43.6 44 81 A S T 3< S+ 0 0 95 -4,-1.2 -1,-0.2 -3,-0.4 -2,-0.2 0.421 85.1 114.4-101.6 2.0 110.9 145.6 41.7 45 82 A L S < S- 0 0 16 -3,-1.1 5,-0.1 -4,-0.4 -3,-0.0 -0.333 87.6 -77.9 -65.8 149.9 108.7 144.2 38.9 46 83 A P >> - 0 0 15 0, 0.0 4,-3.1 0, 0.0 3,-0.9 -0.240 44.6-120.6 -51.8 136.8 109.5 145.6 35.5 47 84 A F H 3> S+ 0 0 172 1,-0.3 4,-1.3 2,-0.2 5,-0.1 0.852 111.1 51.3 -46.2 -47.9 108.1 149.1 35.2 48 85 A I H 34 S+ 0 0 82 2,-0.2 -1,-0.3 1,-0.2 4,-0.2 0.851 113.9 43.5 -66.7 -31.6 105.9 148.2 32.3 49 86 A I H X4 S+ 0 0 1 -3,-0.9 3,-1.7 1,-0.2 -2,-0.2 0.918 111.9 54.1 -73.6 -45.6 104.4 145.1 34.0 50 87 A G H 3< S+ 0 0 17 -4,-3.1 -2,-0.2 1,-0.3 -1,-0.2 0.684 102.2 59.2 -61.9 -22.5 104.0 147.0 37.3 51 88 A C T 3< S+ 0 0 65 -4,-1.3 -1,-0.3 -5,-0.3 -2,-0.2 0.509 76.3 115.4 -83.6 -11.4 102.0 149.8 35.5 52 89 A N S <> S- 0 0 21 -3,-1.7 4,-2.7 -4,-0.2 5,-0.2 -0.467 73.9-125.6 -60.5 132.4 99.4 147.3 34.3 53 90 A P H > S+ 0 0 98 0, 0.0 4,-2.4 0, 0.0 -1,-0.1 0.854 106.3 43.9 -44.1 -53.5 96.0 148.2 36.0 54 91 A T H > S+ 0 0 34 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.932 113.2 51.2 -65.9 -46.4 95.2 144.9 37.5 55 92 A I H > S+ 0 0 0 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.927 110.9 49.8 -58.9 -41.0 98.7 144.4 38.7 56 93 A L H X S+ 0 0 68 -4,-2.7 4,-3.5 2,-0.2 -1,-0.2 0.917 108.0 53.6 -61.6 -42.3 98.5 147.9 40.3 57 94 A H H X S+ 0 0 79 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.971 111.2 44.9 -57.7 -50.9 95.2 147.0 42.0 58 95 A V H X S+ 0 0 0 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.921 111.1 53.5 -61.1 -40.3 96.8 143.9 43.5 59 96 A H H X S+ 0 0 30 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.952 109.0 50.1 -56.5 -48.1 99.8 146.0 44.5 60 97 A E H X S+ 0 0 78 -4,-3.5 4,-2.8 1,-0.2 -1,-0.2 0.874 105.8 56.1 -60.8 -34.2 97.4 148.5 46.2 61 98 A L H X S+ 0 0 21 -4,-2.2 4,-2.8 1,-0.2 5,-0.2 0.929 107.3 49.2 -64.4 -44.1 95.6 145.6 48.1 62 99 A Y H X S+ 0 0 7 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.916 111.0 48.9 -63.1 -38.0 98.9 144.5 49.6 63 100 A I H X S+ 0 0 64 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.971 113.4 48.2 -62.6 -47.9 99.8 148.1 50.7 64 101 A R H X S+ 0 0 127 -4,-2.8 4,-2.8 1,-0.2 5,-0.3 0.908 111.0 49.6 -58.6 -44.8 96.3 148.4 52.3 65 102 A A H X S+ 0 0 3 -4,-2.8 4,-2.4 1,-0.2 5,-0.3 0.935 109.9 51.4 -62.3 -43.4 96.6 145.1 54.0 66 103 A F H X S+ 0 0 67 -4,-2.4 4,-2.3 -5,-0.2 -2,-0.2 0.908 111.0 49.6 -60.0 -40.7 100.0 146.1 55.3 67 104 A Q H X S+ 0 0 110 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.954 111.0 46.1 -64.8 -49.6 98.5 149.4 56.6 68 105 A K H X S+ 0 0 80 -4,-2.8 4,-0.5 1,-0.2 -2,-0.2 0.914 115.5 48.2 -60.1 -38.6 95.5 147.8 58.5 69 106 A L H >< S+ 0 0 8 -4,-2.4 3,-0.9 -5,-0.3 -1,-0.2 0.910 112.3 48.3 -67.5 -41.0 97.8 145.2 60.0 70 107 A T H 3< S+ 0 0 72 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.862 109.6 53.7 -68.4 -33.5 100.3 147.8 61.1 71 108 A D H 3< S+ 0 0 130 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.511 84.0 99.4 -79.0 -5.9 97.6 150.0 62.6 72 109 A F S << S- 0 0 41 -3,-0.9 3,-0.1 -4,-0.5 12,-0.0 -0.686 79.4-119.5 -83.8 135.3 96.1 147.2 64.8 73 110 A P - 0 0 70 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.376 39.2 -78.6 -73.2 152.9 97.4 147.6 68.3 74 111 A P - 0 0 93 0, 0.0 2,-0.5 0, 0.0 -49,-0.1 -0.204 55.8-104.8 -50.3 136.1 99.5 144.9 70.0 75 112 A I + 0 0 4 1,-0.2 3,-0.1 -3,-0.1 -50,-0.1 -0.562 49.3 164.4 -69.4 118.0 97.2 142.1 71.3 76 113 A K - 0 0 154 -2,-0.5 2,-0.3 1,-0.3 -1,-0.2 0.604 59.0 -0.6-108.6 -20.7 96.8 142.5 75.1 77 114 A D S >> S- 0 0 70 1,-0.1 4,-2.2 -56,-0.0 3,-1.0 -0.976 82.4 -81.1-161.7 173.1 93.8 140.3 75.8 78 115 A Q H 3> S+ 0 0 87 -2,-0.3 4,-2.2 1,-0.3 5,-0.2 0.846 124.2 60.7 -49.6 -38.5 91.1 138.1 74.5 79 116 A A H 3> S+ 0 0 61 2,-0.2 4,-1.0 1,-0.2 -1,-0.3 0.918 110.2 39.8 -56.5 -45.8 89.2 141.2 73.6 80 117 A D H X> S+ 0 0 40 -3,-1.0 4,-3.2 2,-0.2 3,-0.9 0.965 111.6 54.5 -67.8 -56.2 92.0 142.2 71.2 81 118 A E H 3X S+ 0 0 4 -4,-2.2 4,-2.2 1,-0.3 -2,-0.2 0.875 108.7 53.1 -46.2 -40.2 92.8 138.8 69.8 82 119 A A H 3X S+ 0 0 42 -4,-2.2 4,-1.0 -5,-0.3 -1,-0.3 0.839 109.7 43.7 -71.4 -33.2 89.1 138.6 68.8 83 120 A Q H < S+ 0 0 96 -4,-2.3 3,-1.9 1,-0.2 4,-0.3 0.929 110.5 52.7 -64.4 -47.0 88.3 137.6 52.0 94 131 A D H 3< S+ 0 0 70 -4,-2.6 3,-0.3 1,-0.3 -1,-0.2 0.829 112.1 47.6 -57.1 -32.4 89.6 140.9 50.4 95 132 A H T >< S+ 0 0 22 -4,-2.2 3,-1.2 1,-0.2 4,-0.3 0.106 79.8 113.2 -96.8 21.9 92.5 138.9 48.8 96 133 A K T < S+ 0 0 127 -3,-1.9 3,-0.3 1,-0.3 4,-0.2 0.916 79.6 37.9 -61.7 -48.7 90.3 136.1 47.5 97 134 A D T 3> S+ 0 0 88 -3,-0.3 4,-1.8 -4,-0.3 -1,-0.3 -0.033 82.9 113.0 -97.9 37.2 90.7 136.7 43.8 98 135 A V H <> S+ 0 0 0 -3,-1.2 4,-3.1 2,-0.2 5,-0.2 0.946 74.6 47.8 -73.0 -50.2 94.4 137.6 43.9 99 136 A V H > S+ 0 0 24 -3,-0.3 4,-2.6 -4,-0.3 5,-0.2 0.902 115.0 49.8 -55.9 -38.8 96.0 134.6 42.1 100 137 A T H > S+ 0 0 74 -4,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.922 111.8 46.2 -66.6 -43.3 93.3 135.1 39.4 101 138 A L H X S+ 0 0 46 -4,-1.8 4,-3.2 2,-0.2 5,-0.2 0.909 111.5 52.3 -66.0 -42.0 94.0 138.8 39.1 102 139 A L H X S+ 0 0 0 -4,-3.1 4,-3.2 1,-0.2 5,-0.3 0.974 109.0 49.7 -59.7 -53.3 97.8 138.2 39.0 103 140 A A H X S+ 0 0 6 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.916 114.9 44.2 -53.9 -45.0 97.4 135.7 36.2 104 141 A E H X S+ 0 0 87 -4,-2.1 4,-1.1 2,-0.2 -1,-0.2 0.965 114.1 48.9 -65.2 -49.5 95.2 138.1 34.1 105 142 A G H X S+ 0 0 0 -4,-3.2 4,-1.0 1,-0.2 -2,-0.2 0.933 117.3 41.3 -54.0 -46.5 97.4 141.1 34.8 106 143 A L H < S+ 0 0 6 -4,-3.2 -1,-0.2 -5,-0.2 -2,-0.2 0.732 97.9 77.3 -76.2 -21.8 100.6 139.2 33.8 107 144 A R H < S+ 0 0 133 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.948 103.3 35.4 -54.2 -58.3 99.0 137.4 30.8 108 145 A E H < S+ 0 0 99 -4,-1.1 4,-0.5 -3,-0.2 2,-0.4 0.999 99.7 83.3 -61.3 -64.5 99.2 140.5 28.6 109 146 A S S < S+ 0 0 5 -4,-1.0 -1,-0.1 1,-0.2 -60,-0.1 -0.073 79.8 60.3 -54.4 95.5 102.6 141.9 30.0 110 147 A R S S+ 0 0 125 -2,-0.4 -1,-0.2 3,-0.1 4,-0.1 0.294 86.6 69.1 142.4 45.0 105.2 139.9 28.0 111 148 A K S S+ 0 0 182 2,-0.1 -2,-0.1 0, 0.0 -3,-0.1 0.010 118.0 32.0-125.8 -36.5 104.2 141.0 24.5 112 149 A H S S+ 0 0 117 -4,-0.5 -3,-0.1 2,-0.0 -64,-0.1 0.756 117.4 159.7 -86.6 -30.1 105.7 143.8 26.2 113 150 A I - 0 0 80 1,-0.1 2,-0.2 -65,-0.1 -3,-0.1 0.797 28.2-160.6 17.4 175.6 108.3 141.2 28.3 114 151 A E - 0 0 85 1,-0.1 5,-0.4 2,-0.1 4,-0.3 -0.936 60.5 -4.5-172.4 150.5 111.6 141.1 30.4 115 152 A D S >> S- 0 0 71 -2,-0.2 3,-2.6 2,-0.1 4,-0.5 0.674 75.0-121.5 15.5 104.8 114.3 138.5 31.6 116 153 A E T 34 S+ 0 0 144 1,-0.3 3,-0.4 2,-0.1 4,-0.4 0.807 108.4 34.6 -32.7 -58.0 112.7 135.2 30.4 117 154 A K T 3> S+ 0 0 106 1,-0.2 4,-2.0 2,-0.1 -1,-0.3 0.466 92.5 97.2 -80.5 -8.0 112.6 133.6 33.9 118 155 A L H <> S+ 0 0 33 -3,-2.6 4,-1.2 -4,-0.3 -1,-0.2 0.875 85.4 43.0 -56.2 -46.4 111.9 136.9 35.8 119 156 A V H X S+ 0 0 10 -4,-0.5 4,-3.2 -3,-0.4 3,-0.4 0.946 109.8 54.8 -69.0 -47.0 108.1 136.5 36.0 120 157 A R H > S+ 0 0 66 -4,-0.4 4,-2.8 1,-0.3 5,-0.3 0.912 108.5 51.2 -51.9 -44.7 108.1 132.7 37.0 121 158 A Y H X S+ 0 0 126 -4,-2.0 4,-1.9 1,-0.2 -1,-0.3 0.884 111.9 47.8 -59.8 -37.9 110.4 133.7 39.9 122 159 A F H X S+ 0 0 19 -4,-1.2 4,-2.4 -3,-0.4 -2,-0.2 0.938 114.0 44.1 -70.3 -50.5 108.0 136.4 40.9 123 160 A L H X S+ 0 0 0 -4,-3.2 4,-2.7 2,-0.2 5,-0.3 0.885 113.3 51.3 -64.4 -36.8 104.8 134.2 40.7 124 161 A D H X S+ 0 0 49 -4,-2.8 4,-2.0 -5,-0.3 5,-0.2 0.966 114.4 44.4 -62.2 -49.2 106.5 131.3 42.5 125 162 A K H X S+ 0 0 108 -4,-1.9 4,-1.0 -5,-0.3 -2,-0.2 0.843 118.3 43.2 -64.3 -34.6 107.6 133.6 45.3 126 163 A T H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.915 113.2 48.2 -80.6 -45.5 104.2 135.4 45.5 127 164 A L H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.872 114.4 45.8 -63.0 -39.3 101.9 132.4 45.3 128 165 A T H X S+ 0 0 11 -4,-2.0 4,-2.5 -5,-0.3 -1,-0.2 0.819 111.0 51.9 -76.7 -29.6 103.8 130.4 47.9 129 166 A S H X S+ 0 0 16 -4,-1.0 4,-2.2 -5,-0.2 5,-0.2 0.915 110.2 51.4 -69.9 -39.6 104.1 133.4 50.3 130 167 A R H X S+ 0 0 49 -4,-2.2 4,-2.9 2,-0.2 3,-0.3 0.978 108.8 49.4 -58.4 -53.6 100.4 133.7 49.9 131 168 A L H X S+ 0 0 7 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.934 111.8 49.5 -48.9 -52.3 99.9 130.0 50.7 132 169 A G H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.841 110.9 48.9 -58.0 -38.0 102.0 130.3 53.8 133 170 A I H X S+ 0 0 26 -4,-2.2 4,-2.7 -3,-0.3 -1,-0.2 0.883 112.5 48.3 -69.6 -42.3 100.2 133.4 55.0 134 171 A R H X S+ 0 0 110 -4,-2.9 4,-2.8 -5,-0.2 5,-0.3 0.848 110.4 51.8 -67.3 -32.2 96.8 131.7 54.5 135 172 A M H X S+ 0 0 1 -4,-2.4 4,-2.1 -5,-0.3 -2,-0.2 0.957 113.3 44.0 -68.8 -49.0 98.1 128.6 56.4 136 173 A L H X S+ 0 0 6 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.957 118.9 43.6 -56.1 -53.6 99.2 130.8 59.4 137 174 A A H X S+ 0 0 1 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.907 114.3 47.4 -60.9 -50.6 96.0 132.8 59.4 138 175 A T H X S+ 0 0 31 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.848 110.8 54.6 -62.4 -33.5 93.6 129.9 58.8 139 176 A H H X S+ 0 0 4 -4,-2.1 4,-1.6 -5,-0.3 -1,-0.2 0.901 108.6 46.1 -67.6 -44.2 95.4 128.0 61.6 140 177 A H H >< S+ 0 0 1 -4,-2.0 3,-0.7 2,-0.2 4,-0.3 0.975 114.6 48.7 -63.3 -50.6 95.0 130.8 64.2 141 178 A L H >X S+ 0 0 16 -4,-2.5 3,-1.6 1,-0.3 4,-0.6 0.936 111.2 49.8 -52.1 -47.3 91.4 131.2 63.2 142 179 A A H 3< S+ 0 0 8 -4,-2.6 10,-0.4 1,-0.3 -1,-0.3 0.739 92.3 76.1 -67.0 -24.4 90.8 127.4 63.5 143 180 A L T << S+ 0 0 18 -4,-1.6 -1,-0.3 -3,-0.7 -2,-0.2 0.553 91.9 58.0 -63.1 -6.9 92.5 127.3 66.9 144 181 A H T <4 S+ 0 0 82 -3,-1.6 -1,-0.2 -4,-0.3 -2,-0.2 0.916 97.7 69.8 -85.5 -50.0 89.2 128.8 68.2 145 182 A E S < S- 0 0 100 -4,-0.6 2,-0.4 -3,-0.1 7,-0.2 0.045 73.5-137.9 -62.5 166.1 87.0 126.0 66.9 146 183 A D + 0 0 165 5,-0.1 5,-0.1 2,-0.0 -3,-0.1 -0.801 32.3 164.5-134.1 93.1 86.8 122.4 68.2 147 184 A K > - 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