==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXO-ACID-LYASE 16-NOV-89 5CTS . COMPND 2 MOLECULE: CITRATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; . AUTHOR M.KARPUSAS,B.BRANCHAUD,S.J.REMINGTON . 429 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19749.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 295 68.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 2.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 1 0.2 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 . 10 2.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 208 48.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 2.1 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 0 1 1 1 1 2 3 1 2 4 0 0 0 0 0 0 1 0 1 1 0 0 0 0 1 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 3 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 A A 0 0 157 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 170.6 9.1 0.9 -42.6 2 2 A S - 0 0 135 2,-0.0 2,-0.1 0, 0.0 0, 0.0 0.225 360.0 -95.0 70.7-178.1 9.6 3.0 -39.4 3 3 A S - 0 0 115 1,-0.1 2,-0.3 0, 0.0 0, 0.0 -0.039 57.5 -29.6-118.7-160.0 11.6 3.5 -36.2 4 4 A T + 0 0 38 101,-0.1 2,-0.2 -2,-0.1 -1,-0.1 -0.566 49.8 153.2 -80.4 133.3 11.5 2.6 -32.2 5 5 A N >> - 0 0 63 -2,-0.3 4,-1.6 1,-0.1 3,-1.3 -0.713 27.4-163.2-160.2 102.6 8.4 2.1 -30.1 6 6 A L H 3> S+ 0 0 0 1,-0.3 4,-2.7 -2,-0.2 5,-0.2 0.849 93.3 59.3 -46.5 -47.0 8.2 0.0 -26.9 7 7 A K H 3> S+ 0 0 52 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.834 104.8 49.4 -56.6 -37.0 4.4 -0.0 -27.1 8 8 A D H <> S+ 0 0 108 -3,-1.3 4,-1.3 2,-0.2 -1,-0.2 0.857 110.0 50.8 -70.6 -36.3 4.4 -1.7 -30.5 9 9 A V H >X S+ 0 0 48 -4,-1.6 4,-2.1 1,-0.2 3,-0.7 0.971 110.4 49.0 -63.4 -50.3 6.8 -4.3 -29.3 10 10 A L H 3X S+ 0 0 0 -4,-2.7 4,-3.1 1,-0.3 -2,-0.2 0.853 105.2 58.5 -52.4 -47.0 4.6 -5.0 -26.4 11 11 A A H 3< S+ 0 0 48 -4,-1.9 -1,-0.3 2,-0.2 -2,-0.2 0.797 110.4 43.9 -52.7 -35.7 1.5 -5.2 -28.7 12 12 A A H X S+ 0 0 39 -4,-2.1 4,-1.9 1,-0.2 3,-0.8 0.860 99.8 68.5 -66.6 -50.2 4.6 -9.8 -27.3 14 14 A I H 3X S+ 0 0 6 -4,-3.1 4,-2.4 1,-0.3 5,-0.2 0.854 98.6 47.3 -45.9 -54.5 1.2 -9.7 -25.2 15 15 A P H 3> S+ 0 0 64 0, 0.0 4,-2.1 0, 0.0 -1,-0.3 0.831 110.3 53.2 -61.1 -37.1 -0.9 -12.2 -27.3 16 16 A K H < S+ 0 0 81 -4,-2.3 3,-2.0 -5,-0.1 -3,-0.2 0.393 79.0 108.2-121.8 -0.7 -1.2 -27.7 -15.1 29 29 A G T 3< S+ 0 0 58 -4,-3.1 -3,-0.1 1,-0.3 -4,-0.1 0.786 85.8 54.3 -49.2 -28.7 -3.5 -25.3 -13.2 30 30 A G T 3 S+ 0 0 86 -5,-0.3 -1,-0.3 -4,-0.1 2,-0.2 0.624 83.7 116.8 -81.6 -18.0 -4.5 -28.3 -10.9 31 31 A T < - 0 0 76 -3,-2.0 2,-0.4 1,-0.1 -3,-0.1 -0.338 67.4-128.2 -63.1 125.3 -0.9 -29.0 -10.0 32 32 A A + 0 0 89 -2,-0.2 3,-0.1 1,-0.2 -1,-0.1 -0.615 26.8 177.9 -77.6 119.2 0.2 -28.7 -6.4 33 33 A L - 0 0 121 -2,-0.4 2,-0.3 1,-0.3 -1,-0.2 0.409 63.5 -31.9 -99.7 -14.3 3.2 -26.5 -6.3 34 34 A G - 0 0 59 14,-0.1 -1,-0.3 -3,-0.0 2,-0.3 -0.984 58.9-100.4 174.2 176.5 3.5 -26.6 -2.6 35 35 A Q - 0 0 168 -2,-0.3 2,-0.5 -3,-0.1 14,-0.1 -0.854 22.9-131.5-119.8 161.8 1.8 -26.8 0.8 36 36 A I - 0 0 112 -2,-0.3 2,-0.3 12,-0.1 3,-0.0 -0.932 23.5-167.6-116.3 127.2 0.9 -24.2 3.5 37 37 A T > - 0 0 70 -2,-0.5 4,-1.3 1,-0.1 3,-0.2 -0.736 34.3-110.3-111.0 169.5 1.7 -24.8 7.1 38 38 A V H >> S+ 0 0 77 -2,-0.3 4,-2.1 1,-0.2 3,-0.6 0.941 118.9 52.5 -61.3 -49.1 0.7 -23.1 10.3 39 39 A D H 3> S+ 0 0 131 1,-0.3 4,-1.2 2,-0.2 -1,-0.2 0.789 105.5 55.8 -57.2 -33.5 4.2 -21.6 10.8 40 40 A M H 34>S+ 0 0 36 -3,-0.2 5,-2.1 2,-0.2 6,-0.5 0.837 107.4 49.4 -66.5 -37.2 4.0 -20.1 7.3 41 41 A S H X<5S+ 0 0 74 -4,-1.3 3,-0.6 -3,-0.6 -2,-0.2 0.893 118.2 37.4 -69.3 -40.0 0.8 -18.4 8.2 42 42 A Y H 3<5S+ 0 0 128 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.660 111.7 67.2 -80.2 -20.1 2.2 -16.9 11.4 43 43 A G T ><5S- 0 0 29 -4,-1.2 3,-0.6 -5,-0.3 -1,-0.2 0.070 117.8 -97.1 -95.0 18.6 5.5 -16.4 9.7 44 44 A G T < 5S- 0 0 49 -3,-0.6 -3,-0.2 1,-0.2 3,-0.2 0.850 76.0 -62.4 71.4 34.0 4.7 -13.8 7.1 45 45 A M T > -A 63 0A 58 4,-1.8 4,-2.2 -2,-0.6 261,-0.1 -0.829 18.1-137.9 -94.7 127.9 17.5 -17.3 -6.1 60 60 A P T 4 S+ 0 0 51 0, 0.0 262,-2.8 0, 0.0 263,-0.5 0.646 101.3 26.7 -54.5 -31.8 18.3 -17.8 -2.4 61 61 A D T 4 S+ 0 0 76 260,-0.2 260,-0.0 261,-0.1 -2,-0.0 0.760 130.9 34.4 -99.3 -51.1 21.9 -18.7 -3.2 62 62 A E T 4 S- 0 0 118 1,-0.2 2,-0.2 263,-0.0 259,-0.0 0.777 98.7-144.6 -78.8 -31.3 22.7 -16.9 -6.4 63 63 A G E < +A 59 0A 0 -4,-2.2 -4,-1.8 262,-0.1 -1,-0.2 -0.567 45.7 3.7 97.6-167.0 20.6 -13.8 -5.8 64 64 A I E -A 58 0A 3 -6,-0.2 7,-0.5 -2,-0.2 2,-0.4 -0.235 51.6-168.0 -65.5 141.6 18.6 -11.7 -8.3 65 65 A R E -AB 57 70A 80 -8,-1.5 -8,-2.1 1,-0.2 5,-0.2 -0.992 11.1-164.4-130.1 129.8 18.1 -12.3 -12.1 66 66 A F S S- 0 0 5 3,-2.5 -1,-0.2 -2,-0.4 4,-0.1 0.919 90.4 -16.3 -77.3 -71.5 16.6 -9.8 -14.5 67 67 A R S S- 0 0 149 3,-0.1 -10,-0.3 -11,-0.1 -2,-0.1 0.544 126.2 -54.3 -79.9 -90.1 15.8 -12.1 -17.4 68 68 A G S S+ 0 0 46 -3,-0.1 2,-0.6 -12,-0.1 -12,-0.1 -0.248 116.8 131.3-118.2 24.7 17.8 -14.9 -16.3 69 69 A F - 0 0 29 4,-0.0 -3,-2.5 3,-0.0 2,-0.1 -0.782 47.0-151.1 -91.6 117.5 20.4 -12.0 -16.3 70 70 A S B > -B 65 0A 17 -2,-0.6 4,-2.8 -5,-0.2 5,-0.2 -0.352 31.3-101.7 -75.9 168.9 22.6 -11.6 -13.2 71 71 A I H > S+ 0 0 11 -7,-0.5 4,-2.9 1,-0.2 5,-0.2 0.930 123.9 49.2 -56.3 -52.4 24.0 -8.4 -12.1 72 72 A P H > S+ 0 0 86 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.938 112.0 50.7 -57.6 -37.6 27.4 -9.1 -13.5 73 73 A E H > S+ 0 0 66 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.895 110.4 49.4 -64.7 -37.2 25.7 -10.1 -16.8 74 74 A C H X S+ 0 0 4 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.939 104.9 58.7 -61.0 -48.8 23.8 -6.9 -16.8 75 75 A Q H < S+ 0 0 52 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.843 115.3 34.7 -52.4 -36.9 26.9 -4.9 -16.1 76 76 A K H < S+ 0 0 150 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.805 122.9 42.0 -90.7 -26.1 28.5 -6.3 -19.3 77 77 A L H < S+ 0 0 77 -4,-2.1 -2,-0.2 -5,-0.2 -3,-0.2 0.680 92.0 84.1 -94.5 -28.9 25.4 -6.5 -21.6 78 78 A L S < S- 0 0 3 -4,-2.7 25,-0.1 -5,-0.2 26,-0.0 -0.603 86.9 -99.9 -80.8 138.2 23.4 -3.3 -21.0 79 79 A P - 0 0 28 0, 0.0 9,-2.2 0, 0.0 12,-0.3 -0.339 36.4-147.1 -58.1 146.1 24.4 -0.2 -22.9 80 80 A K B -C 87 0B 60 2,-0.2 -5,-0.0 7,-0.2 5,-0.0 -0.652 25.1-106.9-110.3 162.4 26.4 2.5 -21.0 81 81 A G 0 0 43 5,-0.7 -1,-0.0 -2,-0.2 127,-0.0 0.691 360.0 360.0 -64.0 -23.5 26.4 6.3 -21.3 82 82 A G 0 0 93 4,-0.2 -2,-0.2 0, 0.0 0, 0.0 -0.182 360.0 360.0-158.6 360.0 29.7 6.4 -23.1 83 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 84 84 A G 0 0 60 0, 0.0 -4,-0.1 0, 0.0 142,-0.0 0.000 360.0 360.0 360.0 16.6 31.0 5.3 -19.4 85 85 A G + 0 0 33 2,-0.1 141,-0.0 -6,-0.1 -5,-0.0 0.571 360.0 81.7-125.0 -20.2 31.2 2.0 -17.5 86 86 A E S S- 0 0 25 1,-0.1 -5,-0.7 -10,-0.0 -4,-0.2 -0.702 81.6-104.8 -95.6 150.2 27.9 1.6 -15.7 87 87 A P B -C 80 0B 2 0, 0.0 -7,-0.2 0, 0.0 146,-0.2 -0.300 32.6-120.3 -68.9 139.5 24.7 0.3 -17.1 88 88 A L >> - 0 0 12 -9,-2.2 4,-1.3 1,-0.1 3,-0.6 -0.646 10.9-138.9 -78.0 129.2 21.9 2.8 -18.0 89 89 A P H 3> S+ 0 0 0 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.857 102.1 70.0 -63.5 -26.2 18.8 2.1 -16.0 90 90 A E H 3> S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.906 99.9 46.2 -49.2 -48.8 16.9 2.9 -19.3 91 91 A G H <> S+ 0 0 0 -3,-0.6 4,-2.4 -12,-0.3 -1,-0.2 0.849 108.7 54.9 -66.6 -38.9 18.3 -0.4 -20.8 92 92 A L H X S+ 0 0 0 -4,-1.3 4,-3.0 2,-0.2 -1,-0.2 0.932 105.9 53.2 -56.6 -47.3 17.4 -2.3 -17.6 93 93 A F H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.928 109.4 47.0 -57.0 -46.6 13.8 -1.0 -18.1 94 94 A W H X S+ 0 0 5 -4,-1.9 4,-2.4 1,-0.2 6,-0.5 0.903 112.4 51.9 -58.9 -45.2 13.7 -2.3 -21.7 95 95 A L H X S+ 0 0 2 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.944 111.0 46.2 -57.9 -49.4 15.1 -5.6 -20.5 96 96 A L H < S+ 0 0 9 -4,-3.0 -1,-0.2 2,-0.2 -2,-0.2 0.859 116.6 43.9 -60.7 -40.7 12.5 -5.9 -17.8 97 97 A V H < S+ 0 0 1 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.931 128.0 24.6 -72.4 -46.6 9.6 -5.0 -20.0 98 98 A T H < S- 0 0 8 -4,-2.4 -2,-0.2 2,-0.3 -3,-0.2 0.482 91.9-124.4 -96.0 -24.3 10.5 -7.0 -23.0 99 99 A G S < S+ 0 0 26 -4,-2.7 2,-0.3 -5,-0.3 -4,-0.1 0.333 79.0 103.3 88.1 -10.6 12.7 -9.9 -21.8 100 100 A Q S S- 0 0 106 -6,-0.5 -2,-0.3 -5,-0.1 -1,-0.2 -0.780 77.8-111.1-114.3 155.7 15.3 -8.7 -24.3 101 101 A I - 0 0 50 -2,-0.3 2,-0.1 -3,-0.1 -9,-0.1 -0.644 42.3-132.8 -79.3 121.6 18.6 -6.8 -24.2 102 102 A P - 0 0 6 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.379 9.6-119.9 -78.1 159.2 18.1 -3.5 -25.9 103 103 A T > - 0 0 73 -2,-0.1 4,-2.3 1,-0.1 3,-0.3 -0.475 32.6-104.7 -89.4 162.4 20.3 -1.9 -28.4 104 104 A G H > S+ 0 0 43 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.904 124.5 53.3 -53.6 -38.3 22.0 1.4 -27.8 105 105 A A H > S+ 0 0 68 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.838 106.2 50.2 -69.4 -34.1 19.4 2.9 -30.1 106 106 A Q H > S+ 0 0 41 -3,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.884 111.4 52.0 -62.6 -47.9 16.4 1.4 -28.1 107 107 A V H X S+ 0 0 4 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.898 103.8 53.7 -57.7 -45.0 18.0 2.8 -25.1 108 108 A S H X S+ 0 0 73 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.879 104.7 58.4 -56.9 -40.2 18.4 6.3 -26.5 109 109 A W H X S+ 0 0 29 -4,-1.4 4,-2.9 2,-0.2 -1,-0.2 0.908 104.1 48.9 -57.0 -44.4 14.6 6.1 -27.2 110 110 A L H X S+ 0 0 0 -4,-1.6 4,-3.4 2,-0.2 5,-0.3 0.950 110.2 53.9 -60.2 -44.3 13.7 5.5 -23.6 111 111 A S H X S+ 0 0 14 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.950 112.6 40.8 -53.4 -56.6 16.0 8.4 -22.6 112 112 A K H X S+ 0 0 115 -4,-2.6 4,-3.2 1,-0.2 -1,-0.2 0.932 115.0 52.7 -61.3 -41.0 14.2 10.8 -25.0 113 113 A E H X S+ 0 0 24 -4,-2.9 4,-1.3 1,-0.3 -1,-0.2 0.891 110.7 46.1 -59.7 -45.9 10.8 9.5 -24.1 114 114 A W H < S+ 0 0 2 -4,-3.4 4,-0.3 -5,-0.2 -1,-0.3 0.789 112.8 51.8 -73.1 -22.5 11.4 9.9 -20.4 115 115 A A H >< S+ 0 0 13 -4,-1.9 3,-1.1 -5,-0.3 -2,-0.2 0.940 108.0 50.7 -77.4 -37.9 12.7 13.4 -21.1 116 116 A K H 3< S+ 0 0 156 -4,-3.2 -2,-0.2 1,-0.2 -1,-0.2 0.767 111.9 48.1 -59.9 -37.2 9.7 14.4 -23.1 117 117 A R T 3< S+ 0 0 42 -4,-1.3 2,-1.1 -5,-0.2 -1,-0.2 0.364 79.7 111.7 -87.4 -5.9 7.2 13.2 -20.5 118 118 A A < + 0 0 21 -3,-1.1 2,-0.3 -4,-0.3 85,-0.2 -0.684 40.5 127.4 -83.0 90.8 8.9 14.9 -17.4 119 119 A A - 0 0 60 -2,-1.1 62,-0.1 58,-0.2 61,-0.0 -0.994 43.7-144.6-153.6 137.1 6.5 17.6 -16.3 120 120 A L - 0 0 40 -2,-0.3 2,-0.2 64,-0.0 -2,-0.0 -0.882 18.9-125.6-112.1 130.4 5.0 18.4 -13.0 121 121 A P >> - 0 0 20 0, 0.0 4,-1.7 0, 0.0 3,-1.4 -0.486 26.3-112.7 -74.2 144.6 1.6 19.9 -12.5 122 122 A S H 3> S+ 0 0 93 1,-0.3 4,-1.9 -2,-0.2 5,-0.2 0.740 111.9 55.7 -45.8 -41.4 1.1 23.0 -10.6 123 123 A H H 3> S+ 0 0 81 2,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.888 107.1 51.2 -69.2 -30.1 -0.7 21.5 -7.7 124 124 A V H <> S+ 0 0 0 -3,-1.4 4,-2.4 2,-0.2 5,-0.3 0.962 109.1 49.0 -67.1 -49.6 2.1 19.1 -7.0 125 125 A V H X S+ 0 0 40 -4,-1.7 4,-2.4 1,-0.3 -1,-0.2 0.892 111.6 52.3 -54.6 -42.8 4.8 21.8 -7.1 126 126 A T H X S+ 0 0 72 -4,-1.9 4,-1.4 -5,-0.2 -1,-0.3 0.885 108.2 47.9 -59.5 -50.1 2.7 23.8 -4.7 127 127 A M H X S+ 0 0 61 -4,-1.8 4,-0.6 2,-0.2 3,-0.3 0.931 112.2 49.3 -61.7 -42.6 2.2 21.1 -2.2 128 128 A L H >< S+ 0 0 1 -4,-2.4 3,-1.1 1,-0.2 -2,-0.2 0.924 108.1 54.7 -64.6 -39.9 5.9 20.1 -2.1 129 129 A D H 3< S+ 0 0 83 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.836 110.9 45.5 -65.6 -28.9 6.8 23.8 -1.7 130 130 A N H 3< S+ 0 0 128 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.470 84.3 119.1 -90.7 -7.3 4.6 24.1 1.4 131 131 A F << - 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0 0 5 -3,-2.6 4,-1.0 1,-0.1 5,-0.1 -0.312 35.1-165.4 -55.8 124.8 -3.8 9.4 -14.5 153 153 A N H > S+ 0 0 67 17,-0.2 4,-2.1 2,-0.2 -1,-0.1 0.809 94.0 49.2 -77.5 -32.0 -4.6 8.2 -18.1 154 154 A F H > S+ 0 0 2 16,-0.4 4,-2.5 2,-0.2 5,-0.2 0.925 107.9 51.7 -71.8 -46.4 -5.7 4.9 -16.7 155 155 A A H > S+ 0 0 37 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.798 114.3 47.2 -57.7 -32.9 -8.0 6.4 -14.1 156 156 A R H X S+ 0 0 176 -4,-1.0 4,-1.6 2,-0.2 -2,-0.2 0.872 111.5 46.8 -77.8 -44.7 -9.5 8.4 -16.9 157 157 A A H X>S+ 0 0 10 -4,-2.1 5,-1.8 2,-0.2 4,-0.7 0.888 112.3 51.8 -65.1 -40.4 -10.0 5.6 -19.4 158 158 A Y H ><5S+ 0 0 118 -4,-2.5 3,-2.0 2,-0.2 -2,-0.2 0.960 107.4 52.1 -57.7 -51.5 -11.5 3.4 -16.7 159 159 A A H 3<5S+ 0 0 82 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.833 106.7 55.9 -55.4 -34.1 -14.0 6.1 -15.8 160 160 A E H 3<5S- 0 0 148 -4,-1.6 -1,-0.3 1,-0.0 -2,-0.2 0.713 119.4-112.8 -75.4 -14.6 -14.8 6.2 -19.5 161 161 A G T <<5 - 0 0 59 -3,-2.0 -3,-0.2 -4,-0.7 -2,-0.1 0.756 46.0-179.5 93.1 26.1 -15.6 2.5 -19.5 162 162 A I < - 0 0 41 -5,-1.8 -1,-0.1 1,-0.1 2,-0.1 -0.242 38.0 -95.6 -59.8 153.2 -12.9 1.0 -21.6 163 163 A L > - 0 0 109 1,-0.2 3,-2.1 3,-0.1 4,-0.2 -0.359 32.0-120.1 -62.9 136.3 -12.9 -2.7 -22.3 164 164 A R G > S+ 0 0 184 1,-0.3 3,-1.4 2,-0.2 4,-0.3 0.693 107.4 73.5 -46.5 -35.7 -10.6 -4.6 -19.8 165 165 A T G 3 S+ 0 0 97 1,-0.2 -1,-0.3 2,-0.1 3,-0.3 0.741 95.5 47.6 -55.2 -29.2 -8.7 -5.8 -22.8 166 166 A K G X> S+ 0 0 95 -3,-2.1 3,-1.0 1,-0.2 4,-0.8 0.366 78.8 105.4 -94.6 0.1 -7.1 -2.4 -23.3 167 167 A Y H X> S+ 0 0 26 -3,-1.4 4,-2.3 1,-0.2 3,-1.1 0.894 73.9 58.2 -47.1 -52.0 -6.1 -1.8 -19.7 168 168 A W H 3> S+ 0 0 21 -4,-0.3 4,-2.6 -3,-0.3 -1,-0.2 0.834 98.5 62.1 -50.7 -35.3 -2.4 -2.5 -20.3 169 169 A E H <> S+ 0 0 51 -3,-1.0 4,-1.2 2,-0.2 -1,-0.3 0.850 109.2 37.9 -60.9 -40.7 -2.3 0.3 -22.8 170 170 A M H X S+ 0 0 12 -4,-1.8 4,-2.1 1,-0.2 3,-0.8 0.745 92.6 84.7 -79.6 -30.5 8.3 12.6 -13.5 182 182 A L H 3X S+ 0 0 0 -4,-1.7 4,-2.7 1,-0.3 5,-0.2 0.865 88.4 49.2 -43.5 -52.1 9.9 10.8 -10.6 183 183 A P H 3> S+ 0 0 1 0, 0.0 4,-2.4 0, 0.0 -1,-0.3 0.845 109.9 52.9 -62.7 -29.8 13.3 12.5 -10.7 184 184 A C H <> S+ 0 0 11 -3,-0.8 4,-1.9 -4,-0.4 -2,-0.2 0.931 112.6 43.7 -69.5 -45.3 11.7 15.9 -10.8 185 185 A V H X S+ 0 0 0 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.881 116.2 47.1 -61.7 -49.4 9.6 15.2 -7.8 186 186 A A H X S+ 0 0 0 -4,-2.7 4,-1.9 -5,-0.2 -2,-0.2 0.889 113.7 47.1 -62.3 -43.2 12.5 13.6 -5.9 187 187 A A H X S+ 0 0 0 -4,-2.4 4,-2.6 -5,-0.2 5,-0.2 0.834 108.2 56.3 -68.9 -35.1 14.9 16.4 -6.8 188 188 A K H X S+ 0 0 30 -4,-1.9 4,-2.6 2,-0.2 5,-0.2 0.911 108.1 47.1 -63.9 -39.7 12.4 19.0 -5.8 189 189 A I H X S+ 0 0 0 -4,-1.7 4,-2.3 2,-0.2 5,-0.3 0.928 113.4 50.3 -63.1 -42.2 12.2 17.5 -2.4 190 190 A Y H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 5,-0.4 0.935 112.5 44.8 -60.1 -47.1 15.9 17.4 -2.2 191 191 A R H X S+ 0 0 42 -4,-2.6 4,-2.0 1,-0.2 7,-0.2 0.918 113.8 50.4 -68.3 -43.7 16.3 21.0 -3.2 192 192 A N H < S+ 0 0 46 -4,-2.6 4,-0.2 -5,-0.2 -1,-0.2 0.883 118.7 35.3 -63.9 -46.8 13.6 22.2 -0.8 193 193 A L H < S+ 0 0 31 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.837 135.1 19.5 -75.0 -43.8 14.9 20.4 2.2 194 194 A Y H < S+ 0 0 66 -4,-2.5 -3,-0.2 -5,-0.3 -2,-0.2 0.582 129.9 37.7-110.2 -16.9 18.7 20.7 1.6 195 195 A R S >< S- 0 0 85 -4,-2.0 3,-1.8 -5,-0.4 -3,-0.1 -0.211 77.8-166.9-131.3 42.6 19.2 23.6 -0.8 196 196 A A T 3 S+ 0 0 90 -4,-0.2 -4,-0.1 1,-0.2 3,-0.1 -0.008 71.4 18.2 -36.9 120.5 16.5 26.1 0.2 197 197 A G T 3 S+ 0 0 88 1,-0.4 -1,-0.2 -6,-0.0 2,-0.1 0.252 99.1 107.1 105.8 -14.0 16.0 28.9 -2.5 198 198 A S < - 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0 0 80 1,-0.2 4,-1.5 162,-0.2 3,-1.0 -0.276 57.3-145.1 -54.1 119.3 31.1 15.0 -10.1 222 222 A A H 3> S+ 0 0 77 1,-0.3 4,-1.2 2,-0.2 3,-0.2 0.860 100.5 49.6 -53.7 -32.8 31.5 12.9 -13.2 223 223 A Q H 3> S+ 0 0 63 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.784 101.0 63.1 -80.2 -26.9 31.8 9.7 -11.0 224 224 A F H <> S+ 0 0 0 -3,-1.0 4,-2.8 2,-0.2 -1,-0.2 0.888 101.0 53.0 -58.4 -43.3 28.7 10.6 -9.0 225 225 A T H X S+ 0 0 9 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.892 108.9 48.6 -58.4 -45.2 26.8 10.2 -12.3 226 226 A E H X S+ 0 0 11 -4,-1.2 4,-2.0 2,-0.2 -2,-0.2 0.907 110.4 51.6 -61.4 -44.2 28.3 6.7 -12.8 227 227 A L H X S+ 0 0 2 -4,-2.4 4,-3.0 1,-0.2 -2,-0.2 0.947 108.5 52.5 -56.8 -48.6 27.3 5.8 -9.3 228 228 A M H X S+ 0 0 0 -4,-2.8 4,-2.9 1,-0.2 5,-0.3 0.905 107.8 49.6 -55.0 -48.7 23.8 7.0 -9.9 229 229 A R H X S+ 0 0 22 -4,-2.1 4,-1.1 1,-0.2 -1,-0.2 0.883 114.2 45.3 -57.8 -45.2 23.4 4.9 -13.0 230 230 A L H X S+ 0 0 4 -4,-2.0 4,-2.6 2,-0.2 5,-0.2 0.943 113.6 50.4 -64.4 -45.8 24.6 1.8 -11.2 231 231 A Y H X S+ 0 0 3 -4,-3.0 4,-1.8 1,-0.3 -2,-0.2 0.941 111.1 45.7 -59.0 -51.5 22.4 2.6 -8.2 232 232 A L H < S+ 0 0 0 -4,-2.9 4,-0.3 1,-0.2 -1,-0.3 0.733 114.4 50.8 -67.7 -24.7 19.2 3.1 -10.0 233 233 A T H >< S+ 0 0 4 -4,-1.1 3,-0.8 -5,-0.3 4,-0.3 0.895 112.1 43.4 -75.4 -48.0 19.9 -0.0 -12.1 234 234 A I H 3< S+ 0 0 3 -4,-2.6 3,-0.3 1,-0.2 -2,-0.2 0.740 111.9 53.1 -74.0 -22.4 20.6 -2.4 -9.2 235 235 A H T 3< S+ 0 0 0 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.1 0.515 83.5 104.4 -87.5 -11.3 17.8 -1.2 -7.1 236 236 A S S < S- 0 0 0 -3,-0.8 166,-1.4 -4,-0.3 167,-0.5 0.789 87.7 -15.4 -23.8 -71.0 15.3 -1.8 -9.9 237 237 A D - 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