==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-SEP-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 09-SEP-11 3TR7 . COMPND 2 MOLECULE: URACIL-DNA GLYCOSYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: COXIELLA BURNETII; . AUTHOR J.CHEUNG,M.FRANKLIN,M.RUDOLPH,M.CASSIDY,E.GARY,F.BURSHTEYN,J . 219 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10831.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 145 66.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 7.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 1.4 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 . 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 . 18 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 15.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 61 27.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 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 1 3 1 0 0 0 0 2 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 0 2 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 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 7 A T 0 0 152 0, 0.0 2,-0.7 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -27.7 24.2 2.2 -0.6 2 8 A Q + 0 0 52 4,-0.1 49,-0.4 3,-0.0 2,-0.3 -0.860 360.0 155.9 -93.2 114.2 22.3 5.5 -0.7 3 9 A T > - 0 0 64 -2,-0.7 4,-2.9 47,-0.1 5,-0.3 -0.806 59.3 -99.9-128.9 171.8 24.6 8.4 -0.2 4 10 A W H > S+ 0 0 30 -2,-0.3 4,-1.6 1,-0.2 -1,-0.1 0.853 123.5 57.1 -59.0 -34.1 24.7 12.1 -1.0 5 11 A Q H 4 S+ 0 0 125 2,-0.2 -1,-0.2 1,-0.2 7,-0.1 0.868 114.1 36.7 -64.3 -38.1 26.9 11.1 -4.0 6 12 A T H 4 S+ 0 0 83 -3,-0.3 4,-0.4 2,-0.2 3,-0.3 0.884 119.3 44.9 -84.8 -42.1 24.3 8.7 -5.4 7 13 A V H < S+ 0 0 33 -4,-2.9 4,-0.2 1,-0.2 -3,-0.2 0.743 124.9 35.3 -76.5 -22.9 21.1 10.6 -4.6 8 14 A L S X S+ 0 0 5 -4,-1.6 4,-2.8 -5,-0.3 -1,-0.2 0.324 88.8 105.1-108.0 4.9 22.5 13.9 -5.8 9 15 A G H > S+ 0 0 17 -3,-0.3 4,-0.6 1,-0.2 -2,-0.1 0.889 83.4 42.0 -52.8 -48.3 24.5 12.3 -8.6 10 16 A E H >> S+ 0 0 151 -4,-0.4 3,-1.1 2,-0.2 4,-0.6 0.923 113.9 50.5 -67.1 -46.7 22.2 13.4 -11.4 11 17 A E H >4 S+ 0 0 37 1,-0.3 3,-1.5 -4,-0.2 6,-0.3 0.893 103.0 61.4 -60.1 -40.2 21.6 16.9 -10.0 12 18 A K H 3< S+ 0 0 85 -4,-2.8 -1,-0.3 1,-0.3 6,-0.2 0.771 94.9 64.3 -54.1 -28.8 25.4 17.4 -9.7 13 19 A Q H << S+ 0 0 136 -3,-1.1 -1,-0.3 -4,-0.6 -2,-0.2 0.792 75.5 109.9 -68.2 -29.6 25.6 16.9 -13.5 14 20 A E S XX S- 0 0 88 -3,-1.5 3,-2.0 -4,-0.6 4,-0.7 -0.265 71.6-136.6 -53.5 123.7 23.5 20.1 -14.0 15 21 A P H 3> S+ 0 0 90 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.775 101.3 67.4 -52.0 -31.5 25.8 22.8 -15.5 16 22 A Y H 3> S+ 0 0 30 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.794 92.5 62.7 -62.1 -28.0 24.3 25.4 -13.2 17 23 A F H <> S+ 0 0 21 -3,-2.0 4,-1.9 -6,-0.3 3,-0.4 0.966 106.0 40.0 -62.9 -57.2 25.9 23.6 -10.3 18 24 A Q H X S+ 0 0 99 -4,-0.7 4,-3.3 -6,-0.2 -1,-0.2 0.851 111.7 60.4 -59.0 -35.8 29.5 24.1 -11.3 19 25 A E H X S+ 0 0 125 -4,-1.7 4,-2.6 2,-0.2 -1,-0.2 0.867 103.4 49.4 -62.8 -38.3 28.6 27.7 -12.4 20 26 A I H X S+ 0 0 6 -4,-1.8 4,-2.3 -3,-0.4 -1,-0.2 0.954 114.0 45.6 -62.0 -50.1 27.6 28.5 -8.8 21 27 A L H X S+ 0 0 23 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.900 113.2 50.6 -59.3 -43.3 30.8 27.1 -7.5 22 28 A D H X S+ 0 0 81 -4,-3.3 4,-2.6 2,-0.2 5,-0.2 0.914 108.6 52.0 -61.1 -45.1 32.7 28.9 -10.2 23 29 A F H X S+ 0 0 57 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.941 109.2 48.3 -57.6 -51.3 31.0 32.2 -9.4 24 30 A V H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.900 111.7 52.3 -57.0 -42.0 31.9 32.0 -5.7 25 31 A K H X S+ 0 0 120 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.950 109.1 46.8 -58.7 -53.0 35.5 31.2 -6.6 26 32 A K H X S+ 0 0 126 -4,-2.6 4,-1.2 1,-0.2 -1,-0.2 0.811 108.9 57.3 -63.3 -29.5 35.9 34.2 -8.9 27 33 A E H <>S+ 0 0 24 -4,-2.0 5,-1.8 -5,-0.2 -1,-0.2 0.912 107.4 46.8 -65.1 -43.4 34.4 36.4 -6.2 28 34 A R H ><5S+ 0 0 63 -4,-1.9 3,-1.5 1,-0.2 -2,-0.2 0.872 109.9 53.1 -65.7 -38.2 37.0 35.3 -3.7 29 35 A K H 3<5S+ 0 0 190 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.784 100.8 62.6 -65.6 -26.8 39.7 35.9 -6.4 30 36 A A T 3<5S- 0 0 67 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.461 124.4-105.8 -77.9 -1.7 38.2 39.4 -6.7 31 37 A G T < 5S+ 0 0 59 -3,-1.5 -3,-0.2 1,-0.3 2,-0.2 0.412 74.3 140.4 93.7 -0.8 39.2 40.0 -3.1 32 38 A K < - 0 0 83 -5,-1.8 2,-0.6 1,-0.1 -1,-0.3 -0.480 53.0-123.0 -75.9 145.5 35.7 39.7 -1.7 33 39 A I - 0 0 92 -2,-0.2 93,-3.3 93,-0.1 2,-0.4 -0.803 31.7-175.5 -91.7 121.2 35.1 37.9 1.7 34 40 A I E -A 125 0A 8 -2,-0.6 91,-0.2 91,-0.2 4,-0.1 -0.966 20.7-109.7-122.5 131.9 32.6 35.0 1.4 35 41 A Y E S+A 124 0A 45 89,-3.0 89,-1.9 -2,-0.4 35,-0.1 -0.859 85.2 26.9-111.5 144.5 31.3 32.9 4.3 36 42 A P S S- 0 0 2 0, 0.0 34,-0.1 0, 0.0 88,-0.1 0.699 97.1 -98.5 -81.2-178.6 31.8 30.1 5.0 37 43 A P >> - 0 0 53 0, 0.0 3,-2.1 0, 0.0 4,-0.5 -0.204 39.6-105.9 -54.1 154.1 35.2 29.1 3.7 38 44 A Q G >4 S+ 0 0 63 1,-0.3 3,-0.8 2,-0.2 4,-0.2 0.808 119.3 54.5 -56.2 -34.7 35.0 27.1 0.5 39 45 A K G 34 S+ 0 0 164 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.536 106.5 53.0 -79.4 -5.2 35.8 23.8 2.1 40 46 A D G X4 S+ 0 0 6 -3,-2.1 3,-2.0 1,-0.1 4,-0.3 0.476 75.3 102.1-105.5 -5.7 33.0 24.2 4.6 41 47 A I T << S+ 0 0 2 -3,-0.8 3,-0.3 -4,-0.5 -1,-0.1 0.809 91.5 33.0 -51.0 -38.0 30.2 24.9 2.1 42 48 A F T >> S+ 0 0 66 -4,-0.2 4,-2.0 1,-0.2 3,-0.6 0.000 77.4 122.3-112.2 28.8 28.8 21.3 2.3 43 49 A N H <> + 0 0 6 -3,-2.0 4,-3.3 1,-0.2 5,-0.3 0.820 68.6 63.6 -61.2 -33.2 29.5 20.5 6.0 44 50 A A H 3> S+ 0 0 5 27,-1.1 4,-0.9 -4,-0.3 -1,-0.2 0.910 109.7 39.2 -56.5 -44.4 25.8 19.8 6.7 45 51 A L H <4 S+ 0 0 19 -3,-0.6 -1,-0.2 2,-0.2 -2,-0.2 0.855 115.9 53.2 -74.3 -35.9 25.8 16.9 4.3 46 52 A K H < S+ 0 0 131 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.916 113.1 41.4 -64.1 -45.6 29.3 15.9 5.4 47 53 A L H < S+ 0 0 23 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.633 120.7 44.6 -81.6 -14.5 28.4 15.7 9.1 48 54 A T S < S- 0 0 1 -4,-0.9 -1,-0.3 -5,-0.3 5,-0.1 -0.747 82.1-151.5-132.8 86.2 25.0 14.1 8.5 49 55 A P >> - 0 0 72 0, 0.0 3,-2.1 0, 0.0 4,-0.7 -0.177 30.4-107.0 -53.4 148.6 25.2 11.2 5.9 50 56 A Y G >4 S+ 0 0 2 1,-0.3 3,-1.1 2,-0.2 -47,-0.1 0.866 119.3 47.7 -45.9 -48.9 22.1 10.6 3.9 51 57 A E G 34 S+ 0 0 97 -49,-0.4 -1,-0.3 1,-0.2 -48,-0.1 0.547 106.6 58.8 -76.3 -7.1 21.2 7.4 5.7 52 58 A A G <4 S+ 0 0 40 -3,-2.1 -1,-0.2 63,-0.0 -2,-0.2 0.549 75.3 122.7 -96.4 -10.1 21.8 9.0 9.1 53 59 A I << + 0 0 0 -3,-1.1 62,-0.2 -4,-0.7 3,-0.1 -0.321 16.5 148.7 -61.4 125.1 19.2 11.7 8.7 54 60 A K + 0 0 45 60,-3.3 102,-2.6 1,-0.4 2,-0.4 0.626 67.8 26.2-119.8 -43.1 16.5 11.7 11.4 55 61 A V E -bc 115 156B 0 59,-2.0 61,-3.4 100,-0.2 2,-0.5 -0.954 63.4-155.9-126.9 144.3 15.6 15.4 11.8 56 62 A V E -bc 116 157B 0 100,-2.5 102,-3.2 -2,-0.4 2,-0.5 -0.981 7.6-174.2-122.3 125.5 15.8 18.3 9.3 57 63 A I E -bc 117 158B 2 59,-2.8 61,-1.6 -2,-0.5 2,-0.4 -0.975 15.0-147.9-119.2 123.0 16.1 21.9 10.3 58 64 A L E +b 118 0B 10 100,-1.0 102,-0.4 -2,-0.5 2,-0.2 -0.719 18.1 174.8 -96.3 136.3 16.0 24.6 7.6 59 65 A G E -b 119 0B 4 59,-2.5 61,-1.1 -2,-0.4 14,-0.1 -0.714 27.7-131.8-121.6 178.9 17.8 27.9 7.6 60 66 A Q S S- 0 0 49 1,-0.4 61,-3.0 59,-0.3 60,-0.3 0.896 71.2 -17.8 -98.8 -63.6 18.0 30.7 5.0 61 67 A D S S- 0 0 41 59,-0.2 -1,-0.4 58,-0.1 13,-0.2 -0.966 72.6 -86.7-145.2 161.4 21.6 31.8 4.6 62 68 A P - 0 0 6 0, 0.0 68,-0.3 0, 0.0 -27,-0.1 -0.262 55.7 -88.8 -65.2 152.8 25.0 31.6 6.4 63 69 A Y - 0 0 44 12,-0.2 6,-0.3 1,-0.1 61,-0.1 -0.312 31.6-147.1 -57.3 146.4 25.9 34.2 9.0 64 70 A H + 0 0 73 -3,-0.1 63,-2.2 62,-0.1 -1,-0.1 0.291 65.5 94.4-106.1 8.9 27.7 37.1 7.4 65 71 A G S >> S- 0 0 11 61,-0.2 3,-1.2 1,-0.1 4,-0.5 -0.577 86.8 -81.4 -96.5 164.0 30.0 38.0 10.3 66 72 A P T 34 S+ 0 0 94 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.372 108.0 2.0 -66.7 138.2 33.6 36.8 10.8 67 73 A N T 34 S+ 0 0 120 2,-0.1 10,-0.7 1,-0.1 13,-0.1 0.498 106.5 101.7 69.0 5.6 34.2 33.4 12.4 68 74 A Q T <4 + 0 0 45 -3,-1.2 9,-1.3 8,-0.2 12,-0.1 0.969 63.0 55.5 -83.7 -74.3 30.4 32.7 12.5 69 75 A A < + 0 0 5 -4,-0.5 7,-0.1 -6,-0.3 -2,-0.1 -0.249 44.0 163.3 -67.2 147.5 29.3 30.3 9.7 70 76 A H S S- 0 0 2 2,-0.4 -1,-0.1 5,-0.3 3,-0.1 0.087 72.9 -70.4-153.1 26.7 30.9 26.9 9.2 71 77 A G S S+ 0 0 12 1,-0.3 -27,-1.1 4,-0.1 2,-0.4 0.443 102.1 100.0 101.1 1.8 28.5 25.0 6.9 72 78 A L S S- 0 0 4 3,-0.2 -2,-0.4 -29,-0.1 -1,-0.3 -0.922 76.1-105.8-119.9 147.2 25.6 24.4 9.3 73 79 A A S S- 0 0 0 44,-1.3 2,-1.7 -2,-0.4 3,-0.1 -0.472 98.9 -10.9 -65.1 134.7 22.3 26.2 9.7 74 80 A F S S+ 0 0 22 -13,-0.2 -1,-0.2 -2,-0.2 12,-0.1 0.054 105.7 121.7 69.2 -31.4 22.1 28.3 12.8 75 81 A S - 0 0 0 -2,-1.7 2,-0.3 32,-0.1 -5,-0.3 -0.291 43.1-164.3 -67.6 147.1 25.4 26.9 14.2 76 82 A V - 0 0 0 29,-2.7 29,-0.2 4,-0.1 -7,-0.2 -0.928 27.1 -95.6-127.5 156.5 28.4 29.1 15.0 77 83 A R > - 0 0 73 -9,-1.3 3,-1.7 -10,-0.7 28,-0.3 -0.189 53.6 -81.2 -64.6 159.2 32.0 28.2 15.6 78 84 A P T 3 S+ 0 0 87 0, 0.0 -1,-0.1 0, 0.0 26,-0.1 -0.342 119.1 33.1 -57.7 141.6 33.5 27.7 19.1 79 85 A G T 3 S+ 0 0 81 1,-0.3 -2,-0.1 -3,-0.1 25,-0.0 0.242 94.2 113.5 91.6 -12.3 34.3 31.0 20.8 80 86 A V S < S- 0 0 22 -3,-1.7 25,-0.4 -13,-0.1 -1,-0.3 -0.826 71.1-121.7 -97.1 125.7 31.4 32.7 19.0 81 87 A P - 0 0 110 0, 0.0 23,-0.1 0, 0.0 -4,-0.1 -0.419 37.4-102.3 -60.9 135.0 28.5 34.0 21.1 82 88 A A - 0 0 27 -2,-0.1 -7,-0.1 4,-0.1 24,-0.0 -0.444 40.4-122.8 -62.8 124.0 25.2 32.4 20.1 83 89 A P > - 0 0 18 0, 0.0 4,-3.0 0, 0.0 5,-0.2 -0.107 32.4 -91.0 -62.3 166.3 23.2 35.0 18.0 84 90 A P H > S+ 0 0 76 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.882 125.3 46.5 -47.2 -54.0 19.7 36.1 18.9 85 91 A S H > S+ 0 0 22 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.938 115.8 44.4 -57.6 -51.5 17.9 33.4 16.9 86 92 A L H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.865 111.7 55.1 -61.8 -36.9 20.1 30.6 18.2 87 93 A Q H X S+ 0 0 130 -4,-3.0 4,-1.9 2,-0.2 -1,-0.2 0.902 109.0 46.8 -61.5 -41.4 19.9 32.0 21.7 88 94 A N H X S+ 0 0 21 -4,-2.4 4,-2.3 -5,-0.2 -2,-0.2 0.826 107.9 56.8 -71.2 -31.9 16.1 31.8 21.4 89 95 A I H X S+ 0 0 2 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.906 108.4 47.1 -61.1 -43.3 16.4 28.2 20.1 90 96 A F H X S+ 0 0 5 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.874 108.3 56.1 -65.8 -38.1 18.3 27.3 23.2 91 97 A K H X S+ 0 0 113 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.945 111.0 43.2 -57.4 -50.1 15.7 29.1 25.3 92 98 A E H X S+ 0 0 7 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.901 112.6 53.2 -62.7 -42.7 13.0 26.9 23.8 93 99 A L H X>S+ 0 0 2 -4,-2.3 4,-2.6 2,-0.2 6,-0.8 0.893 109.7 48.6 -60.8 -42.0 15.2 23.8 24.1 94 100 A H H X5S+ 0 0 93 -4,-2.6 4,-1.8 4,-0.2 -2,-0.2 0.944 115.5 42.6 -63.2 -49.6 15.7 24.4 27.8 95 101 A A H <5S+ 0 0 74 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.846 118.6 47.3 -65.5 -34.4 12.0 24.9 28.5 96 102 A D H <5S+ 0 0 7 -4,-2.7 -2,-0.2 -5,-0.2 -3,-0.2 0.956 133.6 7.3 -74.6 -53.2 11.1 22.0 26.3 97 103 A L H <5S- 0 0 67 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.2 0.476 94.6-115.9-113.0 -6.3 13.4 19.2 27.5 98 104 A G << + 0 0 51 -4,-1.8 -4,-0.2 -5,-0.6 2,-0.1 0.567 58.5 159.1 80.3 8.5 15.2 20.8 30.5 99 105 A V - 0 0 26 -6,-0.8 -1,-0.3 1,-0.1 -2,-0.1 -0.427 47.3-103.5 -66.9 135.9 18.5 20.7 28.6 100 106 A S - 0 0 96 -2,-0.1 118,-0.4 1,-0.1 -1,-0.1 -0.303 35.7-104.3 -62.6 139.7 21.1 23.1 30.0 101 107 A I - 0 0 91 1,-0.1 -1,-0.1 -3,-0.1 -10,-0.0 -0.534 44.7-120.5 -64.5 118.5 21.7 26.3 28.0 102 108 A P - 0 0 15 0, 0.0 117,-0.1 0, 0.0 -1,-0.1 -0.160 0.9-133.6 -60.9 154.1 25.1 25.7 26.3 103 109 A S S S+ 0 0 114 115,-0.2 2,-0.2 -22,-0.0 -21,-0.1 0.399 91.8 30.4 -84.2 0.9 28.0 28.0 26.9 104 110 A H S S- 0 0 44 114,-0.1 -27,-0.1 2,-0.1 114,-0.0 -0.757 73.4-125.9-143.4-174.1 28.5 28.1 23.1 105 111 A G + 0 0 0 -25,-0.4 -29,-2.7 -28,-0.3 2,-0.6 0.004 58.5 131.1-131.8 28.0 26.6 27.8 19.8 106 112 A F - 0 0 49 -31,-0.2 3,-0.3 1,-0.1 -29,-0.1 -0.762 30.3-178.0 -90.1 117.0 28.5 25.0 18.1 107 113 A L >> + 0 0 0 -2,-0.6 4,-1.6 1,-0.2 3,-0.7 0.078 44.9 113.8-109.8 22.4 26.0 22.4 16.8 108 114 A E H 3> S+ 0 0 53 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.841 75.3 62.5 -60.5 -32.7 28.1 19.6 15.3 109 115 A K H 3> S+ 0 0 92 -3,-0.3 4,-0.5 1,-0.2 -1,-0.2 0.840 102.3 50.4 -62.6 -33.9 26.9 17.3 18.0 110 116 A W H X>>S+ 0 0 2 -3,-0.7 5,-2.0 2,-0.2 3,-1.0 0.931 108.5 51.5 -66.6 -46.6 23.4 17.7 16.6 111 117 A A H ><5S+ 0 0 2 -4,-1.6 3,-1.0 1,-0.3 -2,-0.2 0.887 109.6 50.0 -57.6 -40.5 24.6 16.9 13.1 112 118 A K H 3<5S+ 0 0 137 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.645 103.5 61.0 -73.5 -14.9 26.2 13.8 14.4 113 119 A Q H <<5S- 0 0 64 -3,-1.0 -1,-0.2 -4,-0.5 -2,-0.2 0.592 132.1 -91.0 -83.8 -12.0 23.0 12.9 16.1 114 120 A G T <<5S+ 0 0 3 -3,-1.0 -60,-3.3 -4,-0.6 -59,-2.0 0.580 81.0 141.2 109.8 18.2 21.3 12.8 12.7 115 121 A V E < -b 55 0B 0 -5,-2.0 2,-0.8 -61,-0.2 -1,-0.2 -0.829 42.3-148.2 -96.7 111.3 20.1 16.4 12.5 116 122 A L E -b 56 0B 1 -61,-3.4 -59,-2.8 -2,-0.7 2,-1.1 -0.688 9.2-164.8 -79.5 108.7 20.4 17.9 9.0 117 123 A L E +b 57 0B 1 -2,-0.8 -44,-1.3 -61,-0.2 2,-0.5 -0.719 20.6 175.4 -96.5 86.6 21.2 21.6 9.5 118 124 A L E -b 58 0B 5 -61,-1.6 -59,-2.5 -2,-1.1 2,-0.2 -0.829 20.0-160.5-108.2 120.6 20.5 22.9 6.0 119 125 A N E -b 59 0B 12 -2,-0.5 -59,-0.3 -61,-0.2 -58,-0.1 -0.613 23.4-131.7 -85.3 153.7 20.5 26.5 4.8 120 126 A A S S+ 0 0 16 -61,-1.1 2,-0.4 -60,-0.3 21,-0.4 0.896 100.4 38.0 -71.2 -41.7 18.7 27.4 1.6 121 127 A A S S- 0 0 0 -61,-3.0 -1,-0.2 1,-0.1 12,-0.1 -0.931 70.7-159.9-110.2 137.4 21.8 29.4 0.4 122 128 A L S S+ 0 0 15 -2,-0.4 2,-0.3 10,-0.2 -1,-0.1 0.502 71.7 39.0 -98.4 -5.6 25.2 27.9 1.2 123 129 A T - 0 0 0 9,-0.2 2,-0.3 -61,-0.1 9,-0.3 -0.943 56.6-178.1-138.3 162.9 27.3 31.1 0.9 124 130 A V E -A 35 0A 0 -89,-1.9 -89,-3.0 -2,-0.3 2,-0.3 -0.971 30.5-112.8-156.3 145.9 27.0 34.8 1.7 125 131 A E E > -A 34 0A 35 3,-0.5 3,-1.9 -2,-0.3 -91,-0.2 -0.647 51.2 -88.3 -82.0 141.4 29.2 37.8 1.2 126 132 A A T 3 S+ 0 0 27 -93,-3.3 -61,-0.2 -2,-0.3 -93,-0.1 -0.179 108.5 2.7 -51.1 129.8 30.7 39.4 4.3 127 133 A G T 3 S+ 0 0 52 -63,-2.2 -1,-0.3 1,-0.1 -62,-0.1 0.662 108.0 103.5 69.8 18.5 28.4 42.0 5.9 128 134 A K X - 0 0 104 -3,-1.9 3,-1.6 -64,-0.1 -3,-0.5 -0.797 62.2-146.7-137.9 93.6 25.6 41.5 3.3 129 135 A P T 3 S+ 0 0 81 0, 0.0 4,-0.1 0, 0.0 -66,-0.1 -0.304 83.5 0.4 -59.5 135.5 22.6 39.4 4.4 130 136 A Q T > S+ 0 0 111 -68,-0.3 3,-2.1 1,-0.1 4,-0.3 0.586 86.3 139.8 64.4 11.6 20.9 37.3 1.7 131 137 A S T < S+ 0 0 44 -3,-1.6 3,-0.2 1,-0.3 -7,-0.1 0.713 77.1 36.5 -62.2 -21.4 23.6 38.5 -0.7 132 138 A H T > S+ 0 0 5 -9,-0.3 3,-0.6 -4,-0.2 5,-0.4 -0.009 85.9 105.9-117.7 28.3 23.8 35.0 -2.3 133 139 A A T < S+ 0 0 29 -3,-2.1 5,-0.3 1,-0.2 3,-0.2 0.738 84.9 39.8 -78.3 -23.5 20.1 34.1 -2.0 134 140 A N T 3 S+ 0 0 159 -4,-0.3 -1,-0.2 -3,-0.2 -2,-0.1 0.074 86.2 92.9-116.9 23.2 19.4 34.5 -5.7 135 141 A I S < S- 0 0 52 -3,-0.6 -1,-0.1 -115,-0.0 -2,-0.1 0.498 108.5 -87.4 -95.7 -4.9 22.6 33.0 -7.3 136 142 A G S >> S+ 0 0 12 -3,-0.2 3,-1.3 -4,-0.1 4,-0.9 0.337 91.1 121.2 122.6 -6.5 21.1 29.5 -7.6 137 143 A W H >> S+ 0 0 0 -5,-0.4 4,-2.5 1,-0.3 3,-0.6 0.857 71.9 66.2 -53.3 -37.2 21.8 27.7 -4.4 138 144 A H H 3> S+ 0 0 65 -5,-0.3 4,-2.0 1,-0.3 -1,-0.3 0.799 92.9 59.8 -60.0 -30.9 18.0 27.2 -3.9 139 145 A R H <> S+ 0 0 158 -3,-1.3 4,-1.1 2,-0.2 -1,-0.3 0.941 112.6 38.9 -57.6 -47.3 17.9 24.9 -7.0 140 146 A F H < S+ 0 0 6 -4,-1.8 3,-1.1 1,-0.2 4,-0.3 0.918 113.1 49.5 -65.2 -45.2 15.1 18.2 0.4 146 152 A E H >< S+ 0 0 76 -4,-2.3 3,-2.0 1,-0.3 4,-0.3 0.840 100.5 64.5 -63.3 -35.0 13.4 16.4 -2.5 147 153 A S H >< S+ 0 0 4 -4,-2.4 3,-1.0 1,-0.3 -1,-0.3 0.727 91.0 67.2 -62.2 -21.0 16.0 13.6 -2.4 148 154 A L G X< S+ 0 0 0 -3,-1.1 3,-1.6 -4,-0.5 -1,-0.3 0.658 79.6 79.3 -74.6 -15.8 14.7 12.8 1.1 149 155 A N G < S+ 0 0 29 -3,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.782 94.1 48.4 -61.1 -26.7 11.4 11.6 -0.4 150 156 A D G < S+ 0 0 119 -3,-1.0 -1,-0.3 -4,-0.3 -2,-0.2 0.356 82.4 128.8 -95.9 3.9 13.0 8.3 -1.3 151 157 A H < - 0 0 6 -3,-1.6 4,-0.1 1,-0.1 -3,-0.0 -0.385 59.3-139.0 -62.2 135.2 14.5 7.9 2.1 152 158 A P S S+ 0 0 78 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.773 83.1 58.7 -65.1 -29.0 13.7 4.4 3.6 153 159 A E S S- 0 0 89 -100,-0.1 2,-0.4 1,-0.0 22,-0.1 -0.624 93.1-100.1-105.1 161.6 13.0 5.8 7.0 154 160 A G - 0 0 8 -2,-0.2 2,-0.3 55,-0.2 22,-0.2 -0.661 39.0-158.0 -80.8 131.1 10.6 8.4 8.3 155 161 A I - 0 0 0 -2,-0.4 22,-2.4 -7,-0.1 2,-0.6 -0.849 10.8-137.1-113.7 145.5 12.1 11.9 8.9 156 162 A V E -cd 55 177B 0 -102,-2.6 -100,-2.5 -2,-0.3 2,-0.5 -0.896 17.7-158.1-102.9 120.5 11.0 14.7 11.1 157 163 A F E -cd 56 178B 1 20,-3.0 22,-2.8 -2,-0.6 2,-0.7 -0.839 5.2-159.5-100.0 130.6 11.1 18.2 9.5 158 164 A L E -cd 57 179B 0 -102,-3.2 -100,-1.0 -2,-0.5 2,-0.8 -0.879 13.1-173.2-109.4 99.7 11.2 21.3 11.7 159 165 A L E - d 0 180B 0 20,-2.9 22,-1.8 -2,-0.7 2,-0.5 -0.818 2.4-176.8-101.8 106.2 10.1 24.2 9.6 160 166 A W E + d 0 181B 4 -2,-0.8 4,-0.5 -102,-0.4 23,-0.2 -0.890 50.5 5.9-107.6 122.1 10.5 27.6 11.3 161 167 A G S > S- 0 0 9 20,-2.5 4,-2.0 -2,-0.5 5,-0.1 -0.016 90.9 -77.2 93.6 160.1 9.3 30.8 9.6 162 168 A S H > S+ 0 0 76 1,-0.2 4,-1.7 2,-0.2 -1,-0.1 0.907 126.1 54.5 -60.1 -45.9 7.3 31.4 6.4 163 169 A Y H > S+ 0 0 126 1,-0.2 4,-0.7 2,-0.2 3,-0.4 0.936 112.3 41.8 -54.9 -52.6 10.4 30.8 4.2 164 170 A A H >4 S+ 0 0 2 -4,-0.5 3,-0.8 1,-0.2 -1,-0.2 0.858 110.5 58.1 -64.9 -36.0 11.2 27.4 5.6 165 171 A Q H >< S+ 0 0 54 -4,-2.0 3,-1.7 1,-0.2 4,-0.3 0.797 93.2 66.8 -67.5 -29.5 7.5 26.4 5.6 166 172 A K H >< S+ 0 0 121 -4,-1.7 3,-1.7 -3,-0.4 -1,-0.2 0.877 90.4 65.8 -54.7 -38.1 7.1 27.0 1.9 167 173 A K G XX S+ 0 0 39 -3,-0.8 3,-1.9 -4,-0.7 4,-0.5 0.609 76.3 86.5 -64.5 -12.5 9.5 24.0 1.4 168 174 A S G X4 S+ 0 0 31 -3,-1.7 3,-1.4 1,-0.3 -1,-0.3 0.822 77.5 66.1 -57.9 -31.7 6.9 21.7 2.8 169 175 A Q G <4 S+ 0 0 160 -3,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.729 94.8 59.0 -62.8 -21.6 5.3 21.4 -0.6 170 176 A L G <4 S+ 0 0 23 -3,-1.9 2,-1.0 -4,-0.2 -1,-0.3 0.693 88.5 82.6 -79.1 -19.9 8.5 19.7 -1.7 171 177 A I << + 0 0 18 -3,-1.4 -1,-0.1 -4,-0.5 -25,-0.1 -0.742 46.4 152.9 -91.3 98.4 8.0 17.0 0.9 172 178 A T + 0 0 104 -2,-1.0 2,-0.5 -26,-0.1 -1,-0.2 0.585 36.3 106.1-102.8 -14.5 5.6 14.5 -0.7 173 179 A N > - 0 0 15 1,-0.2 3,-1.3 2,-0.1 -23,-0.1 -0.576 58.3-154.5 -71.8 118.2 6.5 11.3 1.2 174 180 A L T 3 S+ 0 0 162 -2,-0.5 -1,-0.2 1,-0.3 -20,-0.0 0.590 87.7 71.7 -72.5 -11.1 3.7 10.6 3.7 175 181 A R T 3 S+ 0 0 158 -26,-0.1 -1,-0.3 -22,-0.1 2,-0.1 0.766 86.3 84.4 -72.1 -25.3 6.1 8.7 6.0 176 182 A H S < S- 0 0 12 -3,-1.3 2,-0.4 -22,-0.2 -20,-0.2 -0.459 73.5-139.5 -80.5 149.4 7.7 12.1 6.9 177 183 A R E -d 156 0B 98 -22,-2.4 -20,-3.0 -2,-0.1 2,-0.6 -0.927 9.2-152.6-110.5 133.8 6.3 14.4 9.6 178 184 A I E -d 157 0B 63 -2,-0.4 2,-0.5 -22,-0.2 -20,-0.2 -0.921 9.2-171.3-109.1 121.1 6.2 18.1 9.2 179 185 A L E -d 158 0B 32 -22,-2.8 -20,-2.9 -2,-0.6 2,-0.3 -0.949 9.1-163.4-112.0 125.0 6.3 20.4 12.3 180 186 A K E +d 159 0B 92 -2,-0.5 -20,-0.2 -22,-0.2 -22,-0.0 -0.789 17.9 151.3-110.8 149.7 5.7 24.1 11.8 181 187 A A E -d 160 0B 4 -22,-1.8 -20,-2.5 -2,-0.3 12,-0.1 -0.965 46.7 -85.5-165.0 156.2 6.4 27.1 14.0 182 188 A P - 0 0 35 0, 0.0 10,-0.1 0, 0.0 14,-0.1 -0.151 65.5 -75.7 -58.3 164.4 7.2 30.8 13.7 183 189 A H - 0 0 48 -23,-0.2 10,-0.3 1,-0.1 5,-0.1 -0.386 37.7-127.2 -65.7 142.1 10.8 31.9 13.2 184 190 A P S S+ 0 0 0 0, 0.0 -1,-0.1 0, 0.0 -92,-0.1 0.643 72.6 118.1 -67.1 -16.5 12.9 31.6 16.4 185 191 A S > - 0 0 27 1,-0.2 3,-1.6 2,-0.1 8,-0.1 -0.330 65.8-140.4 -56.5 124.2 14.1 35.2 16.0 186 192 A P T 3 S+ 0 0 77 0, 0.0 -1,-0.2 0, 0.0 5,-0.0 0.510 103.0 54.3 -65.0 -2.8 13.0 37.2 19.1 187 193 A L T 3 S+ 0 0 156 3,-0.0 -2,-0.1 4,-0.0 4,-0.1 0.578 76.4 121.3-104.5 -15.8 12.3 40.1 16.7 188 194 A S < - 0 0 39 -3,-1.6 -27,-0.0 1,-0.1 0, 0.0 -0.204 69.5-125.8 -53.1 137.5 10.0 38.2 14.3 189 195 A A S S+ 0 0 111 1,-0.1 2,-0.7 2,-0.0 -1,-0.1 0.820 92.5 68.8 -56.7 -35.6 6.6 39.8 14.1 190 196 A A S S- 0 0 60 -7,-0.0 3,-0.3 2,-0.0 -2,-0.1 -0.788 71.7-153.8 -96.0 115.1 4.7 36.6 14.9 191 197 A R + 0 0 244 -2,-0.7 -8,-0.0 1,-0.2 -2,-0.0 -0.402 59.2 89.7 -71.9 159.3 5.1 35.2 18.4 192 198 A G + 0 0 36 -2,-0.1 4,-0.2 -10,-0.1 -1,-0.2 0.211 48.9 102.0 137.2 -16.1 4.6 31.5 18.9 193 199 A F S > S+ 0 0 9 -3,-0.3 3,-1.5 -10,-0.3 2,-0.4 0.930 71.8 77.1 -59.7 -45.3 8.0 29.9 18.5 194 200 A L T 3 S+ 0 0 79 1,-0.2 -105,-0.0 2,-0.1 -102,-0.0 -0.537 101.2 22.8 -67.3 121.5 8.2 29.5 22.2 195 201 A G T 3 S+ 0 0 52 -2,-0.4 -1,-0.2 -103,-0.1 -2,-0.1 0.307 83.6 110.5 106.5 -7.7 6.1 26.6 23.3 196 202 A C < - 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