==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 02-FEB-11 3QLL . COMPND 2 MOLECULE: CITRATE LYASE; . SOURCE 2 ORGANISM_SCIENTIFIC: YERSINIA PESTIS; . AUTHOR R.TORRES,C.W.GOULDING . 645 12 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28021.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 447 69.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 108 16.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 41 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 58 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 214 33.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.4 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 3 6 0 2 3 4 2 0 4 0 4 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 6 6 9 3 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 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 3 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 5 A D >> 0 0 124 0, 0.0 3,-1.2 0, 0.0 4,-0.6 0.000 360.0 360.0 360.0 119.8 -15.8 -0.5 24.6 2 6 A T G >4 + 0 0 10 1,-0.3 3,-0.5 2,-0.2 162,-0.0 0.715 360.0 64.5 -63.2 -32.3 -18.8 1.8 24.5 3 7 A Y G 34 S+ 0 0 101 1,-0.2 -1,-0.3 162,-0.0 163,-0.1 0.796 96.6 59.0 -61.6 -33.8 -18.1 3.2 21.0 4 8 A Q G <4 S+ 0 0 144 -3,-1.2 -1,-0.2 15,-0.0 -2,-0.2 0.780 86.7 95.7 -64.9 -31.8 -18.7 -0.3 19.6 5 9 A T << + 0 0 13 -4,-0.6 3,-0.1 -3,-0.5 13,-0.0 -0.350 41.4 169.9 -66.5 144.2 -22.2 -0.4 20.9 6 10 A R + 0 0 65 1,-0.3 189,-2.6 188,-0.1 2,-0.4 0.626 62.1 46.2-122.4 -38.6 -25.1 0.6 18.6 7 11 A S E -a 195 0A 0 187,-0.2 13,-1.9 10,-0.1 2,-0.5 -0.963 53.2-173.2-120.9 129.2 -28.3 -0.4 20.4 8 12 A W E -ab 196 20A 0 187,-1.5 189,-2.1 -2,-0.4 2,-0.6 -0.963 14.8-159.2-118.9 115.3 -29.3 0.2 24.1 9 13 A L E -ab 197 21A 18 11,-2.7 13,-4.1 -2,-0.5 2,-0.5 -0.844 5.7-149.1-104.5 120.2 -32.5 -1.5 25.1 10 14 A F E + b 0 22A 18 187,-2.4 13,-0.2 -2,-0.6 11,-0.0 -0.698 21.6 173.6 -79.8 123.1 -34.5 -0.4 28.1 11 15 A T E - b 0 23A 54 11,-3.0 13,-2.7 -2,-0.5 4,-0.1 -0.986 31.6-120.1-131.4 131.3 -36.4 -3.2 29.8 12 16 A P E - b 0 24A 51 0, 0.0 13,-0.2 0, 0.0 11,-0.0 -0.272 22.3-122.2 -61.5 146.9 -38.3 -2.7 33.1 13 17 A A S S+ 0 0 19 11,-1.8 12,-0.1 2,-0.1 2,-0.1 0.913 94.7 88.1 -61.3 -37.3 -37.1 -4.9 35.9 14 18 A T 0 0 43 10,-0.3 10,-0.1 1,-0.2 23,-0.0 -0.386 360.0 360.0 -63.0 136.7 -40.7 -6.2 36.1 15 19 A R 0 0 142 -2,-0.1 -1,-0.2 -4,-0.1 -2,-0.1 0.161 360.0 360.0 144.2 360.0 -41.2 -9.3 33.7 16 ! 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 17 30 A G 0 0 93 0, 0.0 -10,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 93.5 -30.2 -8.7 19.8 18 31 A A - 0 0 34 1,-0.1 3,-0.2 -12,-0.1 -10,-0.1 -0.252 360.0-138.9 -64.0 145.3 -29.5 -5.5 21.7 19 32 A D S S+ 0 0 41 -12,-0.4 2,-0.4 1,-0.3 -11,-0.2 0.876 92.1 16.9 -72.7 -33.8 -25.8 -4.6 22.1 20 33 A V E S-b 8 0A 1 -13,-1.9 -11,-2.7 25,-0.1 2,-0.4 -0.994 73.5-148.3-138.6 132.8 -26.5 -3.5 25.6 21 34 A A E -bc 9 47A 36 25,-1.2 27,-3.1 -2,-0.4 2,-0.7 -0.833 9.8-153.0 -97.6 133.9 -29.5 -4.2 27.8 22 35 A I E -bc 10 48A 0 -13,-4.1 -11,-3.0 -2,-0.4 2,-0.5 -0.886 4.6-150.2-110.0 107.2 -30.6 -1.6 30.3 23 36 A I E -bc 11 49A 34 25,-2.6 27,-2.3 -2,-0.7 2,-0.6 -0.619 24.4-146.7 -71.5 123.1 -32.5 -2.9 33.3 24 37 A D E +bc 12 50A 3 -13,-2.7 -11,-1.8 -2,-0.5 -10,-0.3 -0.841 35.0 167.5-108.2 124.5 -34.7 -0.1 34.2 25 38 A L + 0 0 5 25,-2.7 27,-0.1 -2,-0.6 26,-0.1 0.413 68.6 61.0-100.4 -4.9 -35.8 0.9 37.7 26 39 A E S > S+ 0 0 25 24,-0.3 3,-1.6 25,-0.1 26,-0.1 0.663 105.4 0.5 -98.1-110.5 -37.2 4.3 36.7 27 40 A D T 3 S+ 0 0 109 1,-0.3 4,-0.1 -15,-0.0 25,-0.0 0.659 126.9 52.2 -70.4 -19.7 -40.0 5.5 34.4 28 41 A S T 3 S+ 0 0 61 2,-0.1 2,-0.5 -17,-0.0 -1,-0.3 0.744 101.0 74.1 -82.2 -24.0 -41.2 2.1 33.3 29 42 A V S < S- 0 0 7 -3,-1.6 5,-0.1 1,-0.0 -4,-0.0 -0.780 84.6-127.9 -92.4 127.5 -41.5 0.9 36.9 30 43 A S > - 0 0 58 -2,-0.5 3,-0.7 1,-0.1 4,-0.3 -0.256 25.2-110.6 -63.5 163.2 -44.5 2.2 38.9 31 44 A Q G > S+ 0 0 147 1,-0.2 3,-1.0 2,-0.2 4,-0.3 0.849 119.0 54.1 -67.3 -32.6 -43.8 3.8 42.3 32 45 A A G 3 S+ 0 0 97 1,-0.2 4,-0.4 2,-0.1 3,-0.3 0.770 107.7 51.8 -70.1 -21.8 -45.4 0.9 44.1 33 46 A D G <> S+ 0 0 61 -3,-0.7 4,-3.8 1,-0.2 5,-0.3 0.394 78.4 98.9 -98.0 1.7 -43.1 -1.5 42.3 34 47 A K H <> S+ 0 0 14 -3,-1.0 4,-2.1 -4,-0.3 -1,-0.2 0.880 87.7 42.8 -62.9 -42.7 -39.7 0.2 43.1 35 48 A E H > S+ 0 0 89 -4,-0.3 4,-1.9 -3,-0.3 -1,-0.2 0.943 117.6 46.8 -68.4 -48.4 -38.9 -2.2 45.9 36 49 A Q H > S+ 0 0 101 -4,-0.4 4,-1.4 1,-0.2 3,-0.3 0.988 116.4 43.8 -49.7 -61.3 -40.0 -5.2 44.0 37 50 A A H X S+ 0 0 0 -4,-3.8 4,-1.4 1,-0.2 -2,-0.2 0.814 109.6 60.5 -57.8 -39.0 -38.1 -4.1 40.8 38 51 A R H X S+ 0 0 4 -4,-2.1 4,-1.8 -5,-0.3 -1,-0.2 0.962 104.2 44.0 -51.6 -62.2 -35.1 -3.2 42.8 39 52 A Q H X S+ 0 0 107 -4,-1.9 4,-1.6 -3,-0.3 -2,-0.2 0.802 107.8 56.5 -69.6 -31.2 -34.3 -6.6 44.3 40 53 A K H < S+ 0 0 101 -4,-1.4 -1,-0.2 2,-0.2 3,-0.2 0.934 108.0 49.3 -52.8 -51.7 -34.8 -8.7 41.2 41 54 A A H < S+ 0 0 27 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.910 105.0 57.4 -60.4 -40.9 -32.2 -6.6 39.4 42 55 A I H < 0 0 25 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.883 360.0 360.0 -57.9 -34.5 -29.8 -7.1 42.4 43 56 A S < 0 0 137 -4,-1.6 26,-0.0 -3,-0.2 0, 0.0 -0.545 360.0 360.0 -69.4 360.0 -30.2 -10.9 41.8 44 ! 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 45 66 A L 0 0 144 0, 0.0 -25,-0.1 0, 0.0 -26,-0.1 0.000 360.0 360.0 360.0 131.0 -23.0 -9.7 27.2 46 67 A P - 0 0 54 0, 0.0 -25,-1.2 0, 0.0 2,-0.4 -0.256 360.0-152.5 -71.5 144.1 -22.7 -6.3 28.9 47 68 A L E -c 21 0A 67 -27,-0.2 28,-1.6 -25,-0.1 27,-1.1 -0.930 7.4-163.5-123.8 137.7 -25.4 -5.1 31.2 48 69 A A E -cd 22 75A 0 -27,-3.1 -25,-2.6 -2,-0.4 2,-0.4 -0.861 3.6-158.2-116.8 150.5 -26.6 -1.6 32.2 49 70 A L E -cd 23 76A 11 26,-2.7 28,-2.7 -2,-0.3 2,-0.8 -0.927 2.6-160.5-129.3 116.3 -28.7 -0.5 35.1 50 71 A R E -cd 24 77A 23 -27,-2.3 -25,-2.7 -2,-0.4 -24,-0.3 -0.803 18.2-168.6 -90.6 111.0 -30.7 2.7 35.2 51 72 A I - 0 0 0 26,-1.3 -25,-0.1 -2,-0.8 8,-0.1 -0.358 30.8 -86.9 -84.8 172.2 -31.4 3.6 38.8 52 73 A N - 0 0 6 1,-0.2 -1,-0.2 6,-0.1 4,-0.1 -0.286 63.3 -68.6 -74.0 163.6 -33.9 6.2 39.9 53 74 A G > - 0 0 3 1,-0.1 3,-2.1 2,-0.1 6,-0.6 -0.190 35.3-125.8 -57.3 145.2 -32.8 9.8 40.2 54 75 A L T 3 S+ 0 0 37 25,-0.4 -1,-0.1 1,-0.3 6,-0.1 0.778 113.3 59.3 -57.7 -27.6 -30.3 10.8 43.0 55 76 A D T 3 S+ 0 0 110 4,-0.1 2,-0.4 5,-0.0 -1,-0.3 0.222 95.4 83.6 -90.1 13.5 -32.9 13.4 44.0 56 77 A T S <> S- 0 0 52 -3,-2.1 4,-2.0 1,-0.1 5,-0.2 -0.939 79.1-131.6-113.7 146.6 -35.5 10.6 44.6 57 78 A R H > S+ 0 0 204 -2,-0.4 4,-2.2 1,-0.2 5,-0.2 0.877 112.7 58.6 -54.8 -40.0 -36.1 8.4 47.7 58 79 A A H > S+ 0 0 4 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.944 104.1 50.0 -53.1 -46.7 -36.2 5.5 45.2 59 80 A G H > S+ 0 0 0 -6,-0.6 4,-2.1 2,-0.2 -2,-0.2 0.839 108.4 51.0 -66.6 -39.1 -32.6 6.4 43.9 60 81 A I H X S+ 0 0 100 -4,-2.0 4,-2.9 -7,-0.3 -1,-0.2 0.960 113.4 45.9 -58.2 -51.2 -31.1 6.5 47.4 61 82 A E H X S+ 0 0 57 -4,-2.2 4,-3.3 1,-0.2 -2,-0.2 0.905 110.6 53.1 -56.7 -46.1 -32.6 3.1 48.2 62 83 A D H X S+ 0 0 1 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.897 112.3 45.3 -56.1 -45.1 -31.4 1.7 44.8 63 84 A I H X S+ 0 0 14 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.904 112.3 51.6 -67.4 -41.8 -27.9 2.9 45.6 64 85 A H H X S+ 0 0 117 -4,-2.9 4,-1.6 2,-0.2 -2,-0.2 0.949 111.0 47.1 -57.6 -52.1 -28.1 1.5 49.2 65 86 A A H X S+ 0 0 25 -4,-3.3 4,-2.2 1,-0.2 3,-0.4 0.938 112.4 51.2 -56.8 -44.4 -29.2 -1.8 47.9 66 87 A L H < S+ 0 0 7 -4,-2.4 4,-0.4 1,-0.2 -2,-0.2 0.925 109.9 48.2 -58.1 -46.2 -26.4 -1.8 45.3 67 88 A L H < S+ 0 0 68 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.757 115.4 46.4 -71.0 -23.4 -23.7 -1.0 47.8 68 89 A E H < S+ 0 0 147 -4,-1.6 -2,-0.2 -3,-0.4 -1,-0.2 0.959 108.0 47.4 -81.7 -62.0 -24.9 -3.7 50.2 69 90 A C S < S- 0 0 81 -4,-2.2 2,-0.6 -5,-0.2 -1,-0.2 0.282 100.6-130.6 -76.8 11.8 -25.4 -6.8 48.1 70 91 A G + 0 0 46 -4,-0.4 2,-0.4 -5,-0.2 -1,-0.1 0.083 64.6 119.1 84.5 -26.8 -22.1 -6.3 46.4 71 92 A S - 0 0 72 -2,-0.6 -2,-0.1 -29,-0.1 -1,-0.1 -0.655 36.8-176.7-100.9 132.6 -23.1 -6.7 42.8 72 93 A L - 0 0 45 -2,-0.4 4,-0.1 -5,-0.0 25,-0.0 -0.946 22.1-123.4-130.9 142.3 -22.7 -3.9 40.2 73 94 A P - 0 0 13 0, 0.0 -25,-0.2 0, 0.0 3,-0.1 -0.254 28.5-115.1 -74.0 165.1 -23.7 -3.6 36.5 74 95 A D S S+ 0 0 82 -27,-1.1 27,-2.3 1,-0.2 2,-0.4 0.813 105.8 32.3 -65.9 -33.6 -21.1 -2.8 33.8 75 96 A Y E -de 48 101A 20 -28,-1.6 -26,-2.7 25,-0.2 2,-0.6 -0.995 68.1-158.4-128.7 125.9 -22.9 0.5 33.2 76 97 A L E -de 49 102A 1 25,-2.5 27,-2.4 -2,-0.4 2,-0.6 -0.928 16.2-155.2-101.3 115.5 -24.8 2.5 35.8 77 98 A V E -de 50 103A 0 -28,-2.7 -26,-1.3 -2,-0.6 27,-0.2 -0.821 5.8-161.1 -98.6 116.7 -27.2 4.8 34.0 78 99 A L E > - e 0 104A 1 25,-2.8 27,-1.9 -2,-0.6 3,-0.5 -0.888 8.7-143.8-104.3 116.0 -28.2 7.9 35.9 79 100 A P T 3 S+ 0 0 2 0, 0.0 -25,-0.4 0, 0.0 3,-0.1 -0.318 77.8 16.3 -71.7 155.7 -31.4 9.8 34.9 80 101 A K T 3 S- 0 0 71 1,-0.2 2,-0.4 -27,-0.1 26,-0.2 0.864 75.4-171.9 50.2 46.8 -31.7 13.6 35.0 81 102 A T < + 0 0 0 24,-2.0 26,-0.3 -3,-0.5 27,-0.3 -0.591 14.7 164.3 -70.2 120.3 -27.9 14.2 35.1 82 103 A E + 0 0 37 -2,-0.4 2,-0.3 1,-0.2 -1,-0.2 0.386 52.5 17.9-125.8 1.2 -27.7 17.9 35.7 83 104 A S S > S- 0 0 33 1,-0.1 4,-0.8 35,-0.1 -1,-0.2 -0.977 74.2-105.7-165.2 166.2 -24.2 18.6 36.9 84 105 A A H > S+ 0 0 20 -2,-0.3 4,-2.2 1,-0.2 3,-0.3 0.848 117.6 62.2 -68.5 -32.3 -20.7 17.3 37.0 85 106 A A H > S+ 0 0 46 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.833 92.8 65.1 -64.5 -31.2 -21.2 16.6 40.7 86 107 A H H > S+ 0 0 39 1,-0.2 4,-1.4 -3,-0.2 -1,-0.2 0.950 109.9 37.1 -54.6 -47.4 -24.0 14.1 39.8 87 108 A L H X S+ 0 0 0 -4,-0.8 4,-2.5 -3,-0.3 -1,-0.2 0.840 114.7 54.5 -74.7 -36.1 -21.5 11.9 38.1 88 109 A Q H X S+ 0 0 59 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.908 105.6 53.4 -69.7 -35.2 -18.7 12.5 40.6 89 110 A I H X S+ 0 0 69 -4,-2.8 4,-2.3 2,-0.2 -1,-0.2 0.916 111.8 44.6 -58.7 -50.8 -20.9 11.5 43.5 90 111 A L H X S+ 0 0 2 -4,-1.4 4,-1.9 -5,-0.3 -2,-0.2 0.899 111.4 54.9 -59.0 -45.9 -21.8 8.2 41.8 91 112 A D H < S+ 0 0 36 -4,-2.5 3,-0.4 1,-0.2 4,-0.3 0.952 111.7 42.4 -51.8 -55.3 -18.1 7.7 40.9 92 113 A R H >< S+ 0 0 176 -4,-2.8 3,-1.1 1,-0.2 4,-0.5 0.864 110.0 57.9 -64.2 -37.9 -17.0 8.1 44.6 93 114 A L H 3< S+ 0 0 72 -4,-2.3 3,-0.3 1,-0.2 -1,-0.2 0.874 114.3 37.6 -60.3 -34.6 -19.8 5.9 45.9 94 115 A X T 3< S+ 0 0 8 -4,-1.9 6,-0.3 -3,-0.4 -1,-0.2 0.260 82.7 101.7-103.6 13.8 -18.7 3.0 43.7 95 116 A X S < S+ 0 0 74 -3,-1.1 2,-0.3 -4,-0.3 -1,-0.2 0.862 84.6 54.4 -64.0 -38.4 -14.9 3.5 44.0 96 117 A F 0 0 75 -4,-0.5 0, 0.0 -3,-0.3 0, 0.0 -0.776 360.0 360.0 -90.7 151.3 -15.1 0.6 46.5 97 118 A A 0 0 85 -2,-0.3 3,-0.2 -25,-0.0 -26,-0.1 -0.408 360.0 360.0 63.6 360.0 -16.8 -2.6 45.2 98 ! 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 99 121 A D 0 0 192 0, 0.0 2,-0.5 0, 0.0 -4,-0.1 0.000 360.0 360.0 360.0 4.0 -14.8 -1.5 37.2 100 122 A T - 0 0 12 -6,-0.3 2,-0.2 -3,-0.2 -25,-0.2 -0.701 360.0-154.9 -88.2 127.2 -18.3 0.0 36.8 101 123 A R E -e 75 0A 93 -27,-2.3 -25,-2.5 -2,-0.5 2,-0.3 -0.613 10.5-124.4-101.6 158.7 -18.6 2.8 34.2 102 124 A L E -ef 76 125A 1 22,-2.3 24,-3.0 -27,-0.2 25,-0.4 -0.734 15.3-168.7-106.4 147.8 -21.2 5.6 34.1 103 125 A I E -e 77 0A 0 -27,-2.4 -25,-2.8 -2,-0.3 2,-0.3 -0.978 14.5-156.8-128.0 124.2 -23.7 6.8 31.6 104 126 A G E -ef 78 128A 0 23,-1.5 25,-2.5 -2,-0.4 2,-0.6 -0.691 8.0-140.6 -97.7 146.4 -25.5 10.1 32.2 105 127 A I E - f 0 129A 4 -27,-1.9 -24,-2.0 -2,-0.3 2,-0.9 -0.958 4.9-156.2-105.7 124.2 -28.8 11.1 30.7 106 128 A I E + f 0 130A 0 23,-2.6 25,-2.9 -2,-0.6 29,-0.2 -0.830 40.1 138.8 -95.8 99.3 -29.2 14.6 29.5 107 129 A E + 0 0 8 -2,-0.9 2,-0.3 -26,-0.3 31,-0.3 0.173 50.9 62.6-125.4 7.6 -33.0 15.2 29.7 108 130 A S S > S- 0 0 0 -27,-0.3 4,-2.8 1,-0.1 5,-0.2 -0.971 78.4-117.8-136.3 157.2 -33.4 18.7 31.1 109 131 A V H > S+ 0 0 0 -2,-0.3 4,-2.6 2,-0.2 5,-0.2 0.899 118.3 52.6 -54.8 -44.8 -32.6 22.4 30.3 110 132 A R H > S+ 0 0 148 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.948 111.2 46.5 -58.2 -44.5 -30.4 22.5 33.4 111 133 A G H >4 S+ 0 0 0 1,-0.2 3,-0.6 2,-0.2 -2,-0.2 0.912 111.9 50.9 -61.2 -46.3 -28.5 19.4 32.2 112 134 A L H >< S+ 0 0 12 -4,-2.8 3,-1.7 1,-0.2 4,-0.3 0.910 107.1 52.9 -60.4 -43.4 -28.1 20.7 28.7 113 135 A N H 3< S+ 0 0 46 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.716 116.9 39.6 -65.7 -21.9 -26.7 24.1 29.9 114 136 A A T S+ 0 0 0 -3,-1.7 4,-2.3 1,-0.2 5,-0.2 0.844 72.2 55.2 -63.2 -33.8 -23.5 19.5 29.3 116 138 A E H > S+ 0 0 54 -4,-0.3 4,-0.9 1,-0.2 -1,-0.2 0.936 112.3 42.4 -62.3 -45.3 -19.8 20.6 28.7 117 139 A S H 4 S+ 0 0 62 -3,-0.3 -2,-0.2 1,-0.2 -1,-0.2 0.837 113.7 52.3 -73.5 -33.1 -19.0 20.2 32.4 118 140 A I H >< S+ 0 0 0 -4,-2.1 3,-1.3 -7,-0.2 4,-0.3 0.860 107.2 51.9 -62.2 -46.3 -20.9 16.9 32.8 119 141 A A H 3< S+ 0 0 5 -4,-2.3 3,-0.2 1,-0.3 -1,-0.2 0.748 115.4 42.8 -65.1 -20.4 -19.1 15.3 29.8 120 142 A A T 3< S+ 0 0 61 -4,-0.9 -1,-0.3 -5,-0.2 -2,-0.2 0.252 87.1 105.4-104.7 8.5 -15.8 16.2 31.4 121 143 A A S < S- 0 0 13 -3,-1.3 -1,-0.1 1,-0.2 -2,-0.1 0.772 88.1 -12.4 -66.1 -44.3 -16.9 15.2 34.9 122 144 A T > - 0 0 13 -4,-0.3 3,-1.8 -3,-0.2 -1,-0.2 -0.924 54.7-120.5-157.2 149.1 -15.0 11.9 35.4 123 145 A P T 3 S+ 0 0 118 0, 0.0 -2,-0.1 0, 0.0 -1,-0.0 0.671 110.4 69.6 -59.5 -28.6 -12.9 9.3 33.4 124 146 A K T 3 S+ 0 0 44 -23,-0.1 -22,-2.3 2,-0.0 2,-0.2 0.702 73.8 101.8 -66.9 -18.9 -15.5 6.8 34.5 125 147 A L E < +f 102 0A 4 -3,-1.8 -22,-0.2 -24,-0.2 3,-0.1 -0.516 47.0 177.7 -65.5 126.2 -18.1 8.5 32.3 126 148 A A E - 0 0 2 -24,-3.0 2,-0.2 1,-0.4 -23,-0.2 0.376 56.1 -26.8-116.5 3.5 -18.5 6.3 29.2 127 149 A G E - 0 0 0 -25,-0.4 -23,-1.5 37,-0.2 -1,-0.4 -0.860 53.4-117.7 159.4 160.4 -21.2 8.0 27.2 128 150 A L E -fg 104 166A 0 37,-1.7 39,-3.6 -2,-0.2 2,-0.4 -0.993 16.6-149.4-126.3 135.2 -24.3 10.2 27.4 129 151 A I E -fg 105 167A 3 -25,-2.5 -23,-2.6 -2,-0.4 2,-0.5 -0.768 18.1-130.5 -98.1 137.3 -27.9 9.4 26.4 130 152 A F E -f 106 0A 0 37,-2.5 2,-0.8 -2,-0.4 -23,-0.2 -0.789 10.2-153.5 -82.4 132.0 -30.2 12.1 25.1 131 153 A G > + 0 0 11 -25,-2.9 4,-2.5 -2,-0.5 5,-0.2 -0.683 21.3 171.7-106.4 82.2 -33.6 12.2 26.8 132 154 A A H > S+ 0 0 10 -2,-0.8 4,-3.2 1,-0.2 5,-0.3 0.891 71.9 53.3 -57.7 -46.0 -35.7 13.8 24.0 133 155 A A H > S+ 0 0 69 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.891 116.1 38.1 -63.7 -44.6 -39.2 13.2 25.6 134 156 A D H > S+ 0 0 62 2,-0.2 4,-3.1 -3,-0.2 -1,-0.2 0.888 115.5 54.5 -70.8 -37.4 -38.2 14.9 29.0 135 157 A X H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 6,-0.2 0.946 110.6 45.5 -58.7 -50.8 -36.1 17.6 27.2 136 158 A A H X>S+ 0 0 1 -4,-3.2 5,-2.8 1,-0.2 4,-1.8 0.926 115.4 47.7 -59.0 -42.6 -39.1 18.5 25.0 137 159 A A H <5S+ 0 0 73 -4,-1.7 -2,-0.2 -5,-0.3 -1,-0.2 0.902 110.9 50.2 -68.3 -39.1 -41.4 18.5 28.0 138 160 A D H <5S+ 0 0 73 -4,-3.1 -1,-0.2 -31,-0.3 -2,-0.2 0.864 117.2 41.1 -66.2 -34.9 -39.0 20.6 30.1 139 161 A I H <5S- 0 0 18 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.733 111.1-121.2 -83.1 -27.7 -38.7 23.2 27.3 140 162 A G T <5S+ 0 0 53 -4,-1.8 -3,-0.2 1,-0.3 2,-0.2 0.729 71.2 130.3 87.9 20.1 -42.4 23.0 26.5 141 163 A A < - 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