==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 27-SEP-11 3TZ4 . COMPND 2 MOLECULE: [3-METHYL-2-OXOBUTANOATE DEHYDROGENASE [LIPOAMIDE . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR S.C.TSO,J.L.CHUANG,W.J.GUI,R.M.WYNN,J.LI,D.T.CHUANG . 310 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15937.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 233 75.2 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 . 35 11.3 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 1.0 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 . 18 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 140 45.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 1 1 0 0 0 0 1 0 1 1 1 0 0 0 0 1 1 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 2 1 0 0 1 1 1 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 77 0, 0.0 9,-0.2 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 27.3 5.0 -23.9 30.0 2 39 A R E -A 9 0A 88 7,-0.6 7,-2.6 6,-0.1 2,-0.3 -0.492 360.0-136.4 -74.1 140.3 6.6 -23.1 26.7 3 40 A L E -A 8 0A 130 5,-0.2 5,-0.3 -2,-0.2 307,-0.2 -0.710 20.1-165.2-108.9 146.3 4.4 -21.3 24.2 4 41 A T E > -A 7 0A 15 3,-1.8 3,-1.7 -2,-0.3 282,-0.1 -0.481 68.9 -44.7-101.4-174.3 3.5 -21.5 20.6 5 42 A P T 3 S- 0 0 47 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.336 122.2 -23.1 -65.0 132.4 1.6 -18.6 19.1 6 43 A T T 3 S+ 0 0 120 1,-0.1 2,-0.3 -3,-0.1 -3,-0.0 0.752 127.1 94.8 42.7 32.0 -1.2 -17.4 21.4 7 44 A M E < -A 4 0A 5 -3,-1.7 -3,-1.8 2,-0.0 2,-0.5 -0.993 64.3-146.2-152.4 140.3 -1.1 -20.9 22.7 8 45 A M E -A 3 0A 74 -2,-0.3 2,-0.8 -5,-0.3 -5,-0.2 -0.953 6.0-153.8-127.0 128.2 0.7 -22.5 25.7 9 46 A L E -A 2 0A 1 -7,-2.6 -7,-0.6 -2,-0.5 2,-0.3 -0.837 30.2-132.9 -94.4 107.2 2.3 -25.9 26.3 10 47 A Y - 0 0 44 -2,-0.8 2,-0.6 -9,-0.2 13,-0.0 -0.406 17.1-165.7 -67.5 121.2 2.1 -26.6 30.1 11 48 A S + 0 0 49 -2,-0.3 2,-0.3 141,-0.1 -1,-0.0 -0.955 30.5 155.0 -97.5 115.5 5.3 -27.9 31.8 12 49 A G - 0 0 26 -2,-0.6 2,-0.2 2,-0.0 -2,-0.0 -0.994 29.4-172.4-143.8 147.1 4.0 -29.1 35.2 13 50 A R + 0 0 184 -2,-0.3 2,-0.5 6,-0.0 3,-0.1 -0.686 21.3 152.3-145.2 86.6 5.2 -31.7 37.7 14 51 A S > - 0 0 47 -2,-0.2 3,-1.4 1,-0.1 5,-0.3 -0.973 33.2-154.0-118.1 120.1 2.8 -32.4 40.6 15 52 A Q T 3 S+ 0 0 212 -2,-0.5 -1,-0.1 1,-0.3 0, 0.0 0.823 97.7 59.3 -60.7 -32.5 3.0 -35.8 42.2 16 53 A D T 3 S- 0 0 129 -3,-0.1 -1,-0.3 1,-0.1 -3,-0.0 0.731 114.4-120.0 -68.1 -21.1 -0.7 -35.5 43.3 17 54 A G S <> S+ 0 0 16 -3,-1.4 4,-0.6 3,-0.0 -2,-0.1 0.741 72.1 133.4 87.9 27.0 -1.6 -35.2 39.6 18 55 A S H > + 0 0 48 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.643 63.6 66.2 -83.2 -17.1 -3.1 -31.7 39.9 19 56 A H H > S+ 0 0 40 -5,-0.3 4,-3.2 2,-0.2 5,-0.2 0.846 95.4 58.9 -69.7 -33.8 -1.2 -30.4 36.8 20 57 A L H > S+ 0 0 21 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.879 107.7 46.8 -57.2 -39.6 -3.3 -32.9 34.8 21 58 A L H X S+ 0 0 40 -4,-0.6 4,-2.7 2,-0.2 -2,-0.2 0.911 113.0 46.0 -71.8 -44.6 -6.4 -31.1 36.0 22 59 A K H X S+ 0 0 92 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.938 116.9 46.3 -64.3 -44.3 -5.1 -27.6 35.3 23 60 A S H X S+ 0 0 4 -4,-3.2 4,-2.7 2,-0.2 5,-0.2 0.956 112.6 49.9 -57.8 -53.1 -3.9 -28.8 31.9 24 61 A G H X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.890 110.7 49.2 -54.3 -44.6 -7.2 -30.6 31.3 25 62 A R H X S+ 0 0 120 -4,-2.7 4,-1.7 2,-0.2 -1,-0.2 0.850 110.3 51.3 -66.3 -35.4 -9.2 -27.5 32.2 26 63 A Y H X S+ 0 0 22 -4,-1.9 4,-2.4 2,-0.2 3,-0.4 0.961 110.9 47.5 -64.2 -51.6 -7.1 -25.3 29.9 27 64 A L H X S+ 0 0 1 -4,-2.7 4,-3.0 1,-0.2 -2,-0.2 0.925 110.0 54.9 -52.0 -46.1 -7.6 -27.7 27.0 28 65 A Q H < S+ 0 0 30 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.837 112.5 40.7 -63.2 -35.2 -11.3 -27.7 27.8 29 66 A Q H X S+ 0 0 128 -4,-1.7 4,-0.6 -3,-0.4 -1,-0.2 0.835 120.7 45.0 -77.4 -32.2 -11.6 -23.9 27.6 30 67 A E H X S+ 0 0 26 -4,-2.4 4,-1.9 -5,-0.2 5,-0.2 0.886 100.3 61.1 -85.2 -43.3 -9.4 -23.6 24.6 31 68 A L H X S+ 0 0 9 -4,-3.0 4,-2.8 1,-0.2 5,-0.3 0.913 102.0 50.2 -57.0 -48.5 -10.4 -26.3 22.2 32 69 A P H > S+ 0 0 20 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.918 110.0 50.2 -62.0 -41.2 -14.0 -25.2 21.5 33 70 A V H X S+ 0 0 77 -4,-0.6 4,-1.7 2,-0.2 -2,-0.2 0.945 114.1 45.0 -60.2 -45.6 -13.1 -21.6 20.8 34 71 A R H X S+ 0 0 33 -4,-1.9 4,-1.7 1,-0.2 -1,-0.2 0.885 111.6 51.1 -69.6 -36.6 -10.4 -22.7 18.3 35 72 A I H X S+ 0 0 11 -4,-2.8 4,-2.4 -5,-0.2 -1,-0.2 0.899 106.7 56.9 -63.7 -37.2 -12.7 -25.2 16.6 36 73 A A H X S+ 0 0 37 -4,-2.4 4,-2.7 -5,-0.3 -2,-0.2 0.902 103.6 52.6 -59.8 -42.4 -15.3 -22.4 16.3 37 74 A H H X S+ 0 0 104 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.900 108.2 50.6 -58.5 -43.4 -12.7 -20.3 14.4 38 75 A R H X S+ 0 0 13 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.915 110.0 50.2 -61.4 -41.7 -12.2 -23.2 12.0 39 76 A I H X S+ 0 0 11 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.935 107.8 52.9 -62.5 -43.4 -16.0 -23.5 11.5 40 77 A K H X S+ 0 0 125 -4,-2.7 4,-1.3 1,-0.2 -1,-0.2 0.888 105.8 56.1 -57.1 -39.5 -16.1 -19.8 10.8 41 78 A G H < S+ 0 0 18 -4,-2.0 4,-0.5 1,-0.2 -1,-0.2 0.902 108.0 46.6 -58.9 -42.9 -13.5 -20.4 8.2 42 79 A F H >< S+ 0 0 6 -4,-1.8 3,-1.1 1,-0.2 -2,-0.2 0.904 108.1 56.5 -67.0 -38.8 -15.7 -23.0 6.5 43 80 A R H 3< S+ 0 0 184 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.798 108.4 48.0 -62.1 -27.2 -18.7 -20.7 6.6 44 81 A S T 3< S+ 0 0 81 -4,-1.3 -1,-0.2 -3,-0.2 -2,-0.2 0.449 83.1 115.7 -97.6 -4.7 -16.8 -18.0 4.7 45 82 A L S < S- 0 0 17 -3,-1.1 5,-0.1 -4,-0.5 -3,-0.0 -0.403 86.1 -83.8 -56.6 142.0 -15.5 -20.2 2.0 46 83 A P >> - 0 0 29 0, 0.0 4,-2.7 0, 0.0 3,-1.0 -0.229 43.2-117.8 -45.6 134.3 -16.8 -19.3 -1.5 47 84 A F H 3> S+ 0 0 166 1,-0.3 4,-1.7 2,-0.2 5,-0.1 0.845 111.5 54.1 -46.5 -49.7 -20.2 -21.0 -1.9 48 85 A I H 34 S+ 0 0 89 1,-0.2 -1,-0.3 2,-0.2 4,-0.1 0.808 114.3 42.1 -63.8 -31.5 -19.2 -23.2 -4.9 49 86 A I H X4 S+ 0 0 0 -3,-1.0 3,-1.8 2,-0.2 6,-0.2 0.908 110.8 54.4 -78.6 -45.7 -16.2 -24.6 -2.9 50 87 A G H 3< S+ 0 0 16 -4,-2.7 -2,-0.2 1,-0.3 -3,-0.2 0.752 103.0 60.0 -60.7 -23.8 -18.2 -25.0 0.4 51 88 A C T 3< S+ 0 0 60 -4,-1.7 -1,-0.3 -5,-0.3 -2,-0.2 0.555 74.8 114.6 -81.7 -10.5 -20.7 -27.0 -1.5 52 89 A N S <> S- 0 0 36 -3,-1.8 4,-3.0 1,-0.1 5,-0.2 -0.458 73.0-130.4 -59.4 128.0 -18.1 -29.6 -2.5 53 90 A P H > S+ 0 0 100 0, 0.0 4,-2.0 0, 0.0 -1,-0.1 0.840 106.3 48.5 -55.5 -35.6 -19.2 -32.9 -0.8 54 91 A T H > S+ 0 0 38 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.918 112.6 47.7 -71.1 -39.6 -15.7 -33.5 0.6 55 92 A I H > S+ 0 0 0 -6,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.923 111.7 51.8 -64.3 -41.1 -15.4 -30.0 1.9 56 93 A L H X S+ 0 0 70 -4,-3.0 4,-3.0 1,-0.2 -1,-0.2 0.894 107.0 53.4 -61.5 -40.9 -18.9 -30.4 3.4 57 94 A H H X S+ 0 0 86 -4,-2.0 4,-2.2 -5,-0.2 -1,-0.2 0.933 111.5 44.2 -59.9 -46.2 -17.8 -33.6 5.1 58 95 A V H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.926 111.6 54.3 -66.1 -40.9 -14.8 -31.9 6.7 59 96 A H H X S+ 0 0 32 -4,-2.8 4,-1.7 1,-0.2 -2,-0.2 0.953 110.2 47.0 -54.4 -52.2 -17.0 -28.9 7.6 60 97 A E H X S+ 0 0 112 -4,-3.0 4,-3.0 1,-0.2 -1,-0.2 0.851 105.7 59.0 -56.5 -39.7 -19.4 -31.4 9.4 61 98 A L H X S+ 0 0 21 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.930 107.2 47.3 -58.0 -45.2 -16.5 -33.1 11.2 62 99 A Y H X S+ 0 0 5 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.859 111.6 49.5 -64.4 -37.4 -15.6 -29.8 12.8 63 100 A I H X S+ 0 0 61 -4,-1.7 4,-3.0 2,-0.2 -2,-0.2 0.952 110.8 51.1 -65.2 -46.9 -19.2 -29.1 13.8 64 101 A R H X S+ 0 0 118 -4,-3.0 4,-2.4 1,-0.2 -2,-0.2 0.903 110.9 48.3 -55.1 -44.8 -19.4 -32.5 15.2 65 102 A A H X S+ 0 0 2 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.883 110.4 50.4 -65.1 -42.9 -16.2 -31.9 17.2 66 103 A F H X S+ 0 0 70 -4,-2.3 4,-2.5 2,-0.2 5,-0.3 0.927 110.6 51.9 -59.7 -43.0 -17.4 -28.6 18.5 67 104 A Q H X S+ 0 0 106 -4,-3.0 4,-2.2 1,-0.2 -2,-0.2 0.944 112.5 42.9 -59.1 -49.9 -20.6 -30.3 19.6 68 105 A K H X S+ 0 0 43 -4,-2.4 4,-0.5 1,-0.2 -1,-0.2 0.856 114.3 51.5 -67.5 -33.5 -18.9 -33.1 21.5 69 106 A L H >< S+ 0 0 6 -4,-2.3 3,-0.7 1,-0.2 -1,-0.2 0.919 113.5 42.3 -71.2 -42.9 -16.4 -30.7 23.1 70 107 A T H 3< S+ 0 0 67 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.848 109.3 59.4 -74.2 -31.6 -19.0 -28.2 24.3 71 108 A D H 3< S+ 0 0 130 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.630 84.2 101.8 -66.4 -16.6 -21.3 -31.1 25.5 72 109 A F S << S- 0 0 37 -3,-0.7 3,-0.1 -4,-0.5 -3,-0.0 -0.596 79.5-118.0 -79.0 131.8 -18.5 -32.3 27.8 73 110 A P - 0 0 66 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.329 38.4 -86.1 -68.4 145.3 -19.1 -31.3 31.4 74 111 A P - 0 0 94 0, 0.0 2,-0.6 0, 0.0 -49,-0.1 -0.146 51.4-108.1 -45.4 143.2 -16.6 -29.0 33.2 75 112 A I + 0 0 11 1,-0.1 3,-0.1 -54,-0.1 -50,-0.1 -0.712 48.8 158.2 -87.4 119.6 -13.7 -31.1 34.7 76 113 A K + 0 0 141 -2,-0.6 2,-0.3 1,-0.2 -1,-0.1 0.564 62.1 10.2-113.1 -14.0 -13.8 -31.4 38.5 77 114 A D S > S- 0 0 69 1,-0.1 4,-2.6 -56,-0.1 3,-0.4 -0.947 84.5 -85.2-158.0 173.1 -11.7 -34.5 39.2 78 115 A Q H > S+ 0 0 91 -2,-0.3 4,-3.7 1,-0.2 5,-0.2 0.873 122.6 58.7 -54.9 -39.4 -9.3 -37.1 37.7 79 116 A A H > S+ 0 0 64 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.909 109.7 41.8 -58.0 -46.5 -12.3 -39.1 36.6 80 117 A D H >> S+ 0 0 33 -3,-0.4 4,-2.7 2,-0.2 3,-0.5 0.972 115.9 49.7 -62.5 -54.4 -13.6 -36.3 34.5 81 118 A E H 3X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.3 -2,-0.2 0.915 109.3 52.7 -48.9 -49.7 -10.1 -35.5 33.2 82 119 A A H 3X S+ 0 0 38 -4,-3.7 4,-0.9 1,-0.2 -1,-0.3 0.839 111.4 45.6 -58.3 -37.4 -9.6 -39.1 32.4 83 120 A Q H < S+ 0 0 98 -4,-2.0 3,-1.6 -5,-0.2 4,-0.3 0.909 110.8 55.0 -67.5 -45.1 -8.1 -40.0 15.3 94 131 A D H 3< S+ 0 0 56 -4,-2.7 3,-0.3 1,-0.3 -1,-0.2 0.827 114.7 42.3 -55.5 -33.4 -11.4 -38.9 13.6 95 132 A H T >< S+ 0 0 15 -4,-2.2 3,-1.4 -5,-0.2 -1,-0.3 0.193 80.5 106.4 -99.3 13.0 -9.5 -35.9 12.2 96 133 A K T < S+ 0 0 104 -3,-1.6 3,-0.3 1,-0.3 -1,-0.2 0.764 82.3 46.2 -70.8 -23.4 -6.3 -37.6 11.1 97 134 A D T 3> S+ 0 0 81 -3,-0.3 4,-2.2 -4,-0.3 -1,-0.3 0.223 78.0 110.9-100.5 14.4 -7.1 -37.5 7.4 98 135 A V H <> S+ 0 0 0 -3,-1.4 4,-2.8 1,-0.2 5,-0.2 0.887 73.8 53.1 -61.3 -42.4 -8.2 -33.8 7.3 99 136 A V H > S+ 0 0 19 -4,-0.3 4,-2.3 -3,-0.3 -1,-0.2 0.906 112.4 46.4 -58.2 -39.9 -5.3 -32.5 5.2 100 137 A T H > S+ 0 0 52 -3,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.881 111.8 49.7 -73.1 -39.5 -5.9 -35.1 2.6 101 138 A L H X S+ 0 0 38 -4,-2.2 4,-3.1 2,-0.2 5,-0.2 0.918 111.4 49.6 -65.1 -43.4 -9.6 -34.5 2.5 102 139 A L H X S+ 0 0 0 -4,-2.8 4,-2.2 2,-0.2 5,-0.2 0.932 109.2 52.5 -60.2 -44.8 -9.1 -30.8 2.1 103 140 A A H X S+ 0 0 4 -4,-2.3 4,-1.5 -5,-0.2 -2,-0.2 0.927 114.7 41.6 -57.5 -46.8 -6.6 -31.3 -0.7 104 141 A E H X S+ 0 0 102 -4,-2.2 4,-0.7 1,-0.2 -2,-0.2 0.935 114.7 50.7 -63.9 -49.9 -9.1 -33.5 -2.6 105 142 A G H X S+ 0 0 0 -4,-3.1 4,-0.6 1,-0.2 -1,-0.2 0.814 118.0 38.8 -59.3 -31.0 -12.1 -31.3 -1.9 106 143 A L H X S+ 0 0 0 -4,-2.2 4,-2.2 -5,-0.2 -1,-0.2 0.690 91.3 87.9 -95.9 -21.5 -10.3 -28.2 -3.1 107 144 A R H < S+ 0 0 147 -4,-1.5 4,-0.3 -5,-0.2 -2,-0.1 0.911 107.9 16.3 -47.6 -58.8 -8.4 -29.6 -6.0 108 145 A E H >< S+ 0 0 85 -4,-0.7 3,-1.5 1,-0.1 4,-0.3 0.927 122.1 58.6 -82.0 -48.5 -11.2 -29.0 -8.5 109 146 A S H >< S+ 0 0 8 -4,-0.6 3,-1.3 1,-0.3 -2,-0.2 0.748 94.5 67.8 -57.0 -26.4 -13.4 -26.6 -6.7 110 147 A R G >< S+ 0 0 26 -4,-2.2 3,-1.1 1,-0.3 -1,-0.3 0.767 89.7 61.2 -69.9 -26.4 -10.7 -23.9 -6.3 111 148 A K G < S+ 0 0 138 -3,-1.5 -1,-0.3 -4,-0.3 -2,-0.2 0.531 88.3 75.8 -79.3 -2.5 -10.4 -23.1 -10.0 112 149 A H G < S+ 0 0 121 -3,-1.3 2,-0.3 -4,-0.3 -1,-0.2 0.338 86.6 74.0 -89.8 5.2 -14.0 -22.0 -10.0 113 150 A I S < S- 0 0 24 -3,-1.1 5,-0.0 1,-0.1 0, 0.0 -0.931 71.2-141.4-124.4 150.5 -13.2 -18.7 -8.3 114 151 A E S S+ 0 0 174 -2,-0.3 2,-0.8 1,-0.1 -1,-0.1 0.851 87.0 68.4 -76.2 -38.8 -11.5 -15.6 -9.6 115 152 A D > - 0 0 63 1,-0.2 3,-0.5 2,-0.1 4,-0.4 -0.768 56.0-179.7 -89.2 111.5 -9.4 -14.8 -6.5 116 153 A E T 3> S+ 0 0 106 -2,-0.8 4,-1.2 1,-0.2 3,-0.4 0.701 75.2 71.7 -85.0 -21.5 -6.7 -17.4 -6.0 117 154 A K H 3> S+ 0 0 159 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.757 86.3 74.0 -58.8 -23.3 -5.2 -15.8 -2.9 118 155 A L H <> S+ 0 0 65 -3,-0.5 4,-2.3 2,-0.2 -1,-0.2 0.917 96.6 40.0 -62.9 -51.4 -8.4 -17.1 -1.2 119 156 A V H > S+ 0 0 3 -3,-0.4 4,-3.2 -4,-0.4 5,-0.3 0.907 112.5 55.9 -68.2 -41.7 -7.7 -20.8 -1.0 120 157 A R H X S+ 0 0 66 -4,-1.2 4,-3.0 1,-0.2 5,-0.2 0.932 111.4 45.2 -51.9 -47.2 -4.0 -20.2 -0.1 121 158 A Y H X S+ 0 0 154 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.927 113.4 48.7 -67.0 -45.3 -5.2 -18.1 2.9 122 159 A F H X S+ 0 0 14 -4,-2.3 4,-3.0 2,-0.2 5,-0.2 0.929 116.1 43.3 -57.7 -50.7 -7.9 -20.6 4.0 123 160 A L H X S+ 0 0 0 -4,-3.2 4,-3.0 2,-0.2 5,-0.4 0.954 113.6 50.2 -63.9 -48.8 -5.5 -23.5 3.8 124 161 A D H X S+ 0 0 49 -4,-3.0 4,-1.8 -5,-0.3 5,-0.3 0.950 117.8 41.1 -53.2 -48.2 -2.6 -21.7 5.5 125 162 A K H X S+ 0 0 95 -4,-2.7 4,-1.8 -5,-0.2 5,-0.2 0.914 118.4 44.9 -68.9 -42.2 -4.9 -20.6 8.3 126 163 A T H X S+ 0 0 0 -4,-3.0 4,-2.3 -5,-0.2 -2,-0.2 0.941 115.4 45.4 -69.0 -46.7 -6.8 -23.9 8.6 127 164 A L H X S+ 0 0 0 -4,-3.0 4,-2.2 -5,-0.2 -2,-0.2 0.881 115.4 45.4 -68.0 -40.5 -3.7 -26.2 8.5 128 165 A T H X S+ 0 0 15 -4,-1.8 4,-2.6 -5,-0.4 -1,-0.2 0.894 113.0 49.9 -70.8 -41.1 -1.6 -24.2 11.0 129 166 A S H X S+ 0 0 22 -4,-1.8 4,-2.5 -5,-0.3 -2,-0.2 0.937 111.8 50.6 -58.7 -45.4 -4.4 -23.7 13.4 130 167 A R H X S+ 0 0 23 -4,-2.3 4,-2.6 -5,-0.2 -2,-0.2 0.900 108.3 50.8 -59.9 -43.3 -5.0 -27.5 13.2 131 168 A L H X S+ 0 0 13 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.942 111.3 49.5 -57.4 -47.0 -1.2 -28.1 13.8 132 169 A G H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.903 112.4 47.2 -57.6 -44.0 -1.5 -25.8 16.9 133 170 A I H X S+ 0 0 19 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.893 111.9 48.8 -67.2 -42.7 -4.6 -27.7 18.2 134 171 A R H X S+ 0 0 56 -4,-2.6 4,-2.9 2,-0.2 5,-0.3 0.865 110.0 53.2 -68.3 -33.7 -3.1 -31.1 17.7 135 172 A M H X S+ 0 0 2 -4,-2.2 4,-2.4 -5,-0.2 -2,-0.2 0.944 112.4 43.3 -65.1 -49.0 0.1 -30.1 19.5 136 173 A L H X S+ 0 0 3 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.961 117.5 46.1 -59.1 -51.2 -1.8 -28.9 22.5 137 174 A A H X S+ 0 0 3 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.949 115.8 44.8 -58.4 -51.8 -4.1 -31.9 22.5 138 175 A T H X S+ 0 0 41 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.846 110.3 56.3 -62.6 -34.9 -1.3 -34.4 22.0 139 176 A H H X S+ 0 0 1 -4,-2.4 4,-1.3 -5,-0.3 -1,-0.2 0.910 106.9 49.5 -63.5 -42.2 0.8 -32.6 24.7 140 177 A H H >X S+ 0 0 0 -4,-2.4 3,-0.9 1,-0.2 4,-0.5 0.967 112.0 46.9 -61.5 -51.4 -2.0 -33.0 27.2 141 178 A L H >< S+ 0 0 9 -4,-2.3 3,-1.5 1,-0.2 4,-0.5 0.890 109.6 55.9 -53.0 -41.7 -2.3 -36.7 26.4 142 179 A A H >< S+ 0 0 6 -4,-2.4 3,-0.9 1,-0.3 10,-0.4 0.749 90.4 71.8 -68.6 -25.1 1.4 -37.1 26.7 143 180 A L H << S+ 0 0 23 -4,-1.3 -1,-0.3 -3,-0.9 -2,-0.2 0.758 94.3 57.2 -61.5 -21.4 1.5 -35.6 30.1 144 181 A H T << S+ 0 0 71 -3,-1.5 -1,-0.2 -4,-0.5 -2,-0.2 0.776 93.6 84.8 -75.9 -29.3 -0.1 -38.9 31.2 145 182 A E S < S- 0 0 82 -3,-0.9 7,-0.2 -4,-0.5 5,-0.0 -0.272 70.1-144.4 -76.5 160.5 2.8 -40.9 29.8 146 183 A D + 0 0 156 5,-0.1 -1,-0.1 2,-0.1 -3,-0.1 0.028 40.8 150.4-116.5 26.9 6.1 -41.6 31.7 147 184 A K > - 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