==== 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 HYDROLASE 10-JUL-04 1TZK . COMPND 2 MOLECULE: 1-AMINOCYCLOPROPANE-1-CARBOXYLATE DEAMINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS SP.; . AUTHOR S.KARTHIKEYAN,Q.ZHOU,Z.ZHAO,C.L.KAO,Z.TAO,H.ROBINSON,H.W.LIU . 1324 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 44452.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 997 75.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 154 11.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 24 1.8 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 . 4 0.3 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 . 110 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 184 13.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 435 32.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 40 3.0 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 7 1 4 0 0 5 3 6 7 2 1 2 3 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 10 6 4 4 4 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 . 4 0 4 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 4 0 4 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 M 0 0 65 0, 0.0 240,-0.2 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0-177.2 26.7 28.1 178.4 2 2 A N > + 0 0 73 238,-2.8 3,-0.6 1,-0.1 4,-0.1 -0.674 360.0 160.9-154.7 95.5 25.5 31.4 177.0 3 3 A L G > S+ 0 0 3 1,-0.2 3,-1.9 -2,-0.2 -1,-0.1 0.667 73.5 81.2 -82.7 -18.8 24.2 31.9 173.5 4 4 A Q G 3 S+ 0 0 120 1,-0.3 -1,-0.2 236,-0.1 4,-0.1 0.691 74.5 73.4 -60.6 -20.4 22.7 35.2 174.8 5 5 A R G < S+ 0 0 68 -3,-0.6 -1,-0.3 235,-0.1 -2,-0.1 0.774 90.0 69.5 -65.5 -25.8 26.1 36.8 174.3 6 6 A F S < S- 0 0 50 -3,-1.9 -1,-0.0 -4,-0.1 51,-0.0 -0.810 88.5-123.0 -98.7 129.3 25.5 36.7 170.6 7 7 A P - 0 0 86 0, 0.0 2,-0.4 0, 0.0 54,-0.1 -0.304 19.2-150.9 -68.0 155.0 22.8 39.0 169.0 8 8 A R - 0 0 113 -4,-0.1 49,-0.2 52,-0.1 48,-0.1 -0.982 5.5-145.0-130.5 117.4 20.0 37.4 167.0 9 9 A Y - 0 0 76 47,-3.1 2,-0.4 -2,-0.4 50,-0.1 -0.746 30.4-113.6 -84.9 124.3 18.4 39.3 164.2 10 10 A P + 0 0 77 0, 0.0 -1,-0.1 0, 0.0 43,-0.0 -0.410 59.3 141.0 -61.4 109.6 14.6 38.5 164.0 11 11 A L + 0 0 8 -2,-0.4 34,-0.4 41,-0.1 33,-0.2 0.348 58.1 64.4-127.3 -4.0 13.9 36.6 160.7 12 12 A T S S- 0 0 31 31,-0.1 31,-0.2 32,-0.1 30,-0.1 -0.670 86.3-113.3-116.9 172.1 11.4 34.1 162.1 13 13 A F S S- 0 0 75 29,-2.3 30,-0.1 1,-0.3 29,-0.1 0.726 73.4 -89.2 -77.4 -20.2 7.9 34.3 163.6 14 14 A G S S+ 0 0 25 28,-0.4 -1,-0.3 0, 0.0 -3,-0.0 -0.927 85.5 2.6 139.6-164.3 9.2 33.1 166.9 15 15 A P S S- 0 0 94 0, 0.0 154,-0.0 0, 0.0 -2,-0.0 -0.155 77.9-118.1 -51.0 147.5 9.7 29.6 168.4 16 16 A T - 0 0 2 1,-0.1 23,-0.1 153,-0.1 26,-0.1 -0.761 30.6-110.5 -94.0 135.1 8.7 26.9 165.9 17 17 A P - 0 0 45 0, 0.0 21,-2.7 0, 0.0 2,-0.5 -0.181 16.5-141.0 -66.1 150.9 5.8 24.6 166.9 18 18 A I E -A 37 0A 34 19,-0.2 19,-0.3 20,-0.1 294,-0.0 -0.927 21.9-170.4-108.8 132.8 6.1 20.9 167.7 19 19 A Q E -A 36 0A 52 17,-3.0 17,-2.3 -2,-0.5 2,-0.2 -0.968 22.1-120.4-126.8 141.7 3.3 18.8 166.4 20 20 A P E -A 35 0A 86 0, 0.0 2,-0.5 0, 0.0 15,-0.3 -0.563 11.0-151.7 -79.9 146.8 2.5 15.2 167.2 21 21 A L > + 0 0 3 13,-3.6 4,-2.4 -2,-0.2 13,-0.4 -0.617 36.8 152.7-112.7 67.0 2.5 12.7 164.2 22 22 A A H > + 0 0 65 -2,-0.5 4,-2.9 2,-0.2 5,-0.3 0.871 66.5 55.0 -67.7 -38.7 0.0 10.4 165.7 23 23 A R H > S+ 0 0 100 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.946 115.2 39.5 -61.7 -47.1 -1.3 9.0 162.4 24 24 A L H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 6,-0.2 0.880 114.3 54.0 -69.1 -38.8 2.2 8.0 161.3 25 25 A S H <>S+ 0 0 10 -4,-2.4 5,-2.4 1,-0.2 6,-0.4 0.958 113.1 43.2 -59.4 -49.1 3.2 6.8 164.8 26 26 A K H ><5S+ 0 0 167 -4,-2.9 3,-1.9 1,-0.2 -1,-0.2 0.881 108.7 59.5 -63.4 -38.9 0.1 4.6 164.8 27 27 A H H 3<5S+ 0 0 113 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.877 103.2 52.0 -58.6 -38.5 0.8 3.5 161.3 28 28 A L T 3<5S- 0 0 30 -4,-2.1 -1,-0.3 -3,-0.2 -2,-0.2 0.382 139.2 -76.1 -81.3 6.2 4.2 2.2 162.2 29 29 A G T < 5 - 0 0 59 -3,-1.9 -3,-0.2 -4,-0.1 -2,-0.1 0.265 57.2-102.0 121.6 -14.1 2.8 0.1 165.1 30 30 A G S + b 0 315A 9 -21,-2.7 3,-1.7 -2,-0.6 278,-0.1 -0.477 47.8 149.8 -84.1 71.8 8.3 22.8 162.1 39 39 A E G > S+ 0 0 0 -2,-1.5 3,-2.0 276,-0.8 10,-0.5 0.841 73.7 70.8 -66.0 -30.3 11.4 24.8 161.1 40 40 A D G 3 S+ 0 0 22 275,-1.6 -1,-0.3 1,-0.3 3,-0.1 0.571 101.8 43.6 -61.5 -9.4 9.9 24.7 157.6 41 41 A C G < S+ 0 0 27 -3,-1.7 -1,-0.3 274,-0.2 -2,-0.2 0.088 81.2 109.2-122.4 21.7 7.2 27.1 158.8 42 42 A N S < S+ 0 0 3 -3,-2.0 -29,-2.3 5,-0.2 -28,-0.4 0.545 73.9 35.7 -78.6 -6.4 9.4 29.5 160.7 43 43 A S - 0 0 5 4,-0.4 4,-0.3 -31,-0.2 -31,-0.1 -0.992 52.4-143.7-154.0 157.6 9.2 32.5 158.4 44 44 A G S S+ 0 0 3 -2,-0.3 2,-1.3 -33,-0.2 570,-0.3 0.412 78.4 103.1 -93.0 -0.3 7.3 34.7 156.1 45 45 A L S > S- 0 0 12 -34,-0.4 3,-2.2 1,-0.2 568,-0.2 -0.710 115.3 -50.5 -88.7 91.4 10.5 35.2 154.0 46 46 A A T 3 S- 0 0 5 -2,-1.3 -1,-0.2 566,-0.8 -2,-0.1 0.844 108.2 -53.3 41.4 56.0 9.8 32.9 151.0 47 47 A F T 3 S- 0 0 37 -4,-0.3 -4,-0.4 -6,-0.1 -1,-0.3 0.177 79.2-151.0 70.5 -12.2 8.9 29.9 153.2 48 48 A G < + 0 0 2 -3,-2.2 270,-0.4 -6,-0.1 2,-0.2 -0.129 19.8 178.0 53.3-142.1 12.1 30.1 155.3 49 49 A G >> - 0 0 0 -10,-0.5 3,-1.2 1,-0.1 4,-1.0 -0.766 54.8 -38.6 129.7-176.1 13.4 26.8 156.8 50 50 A N H >> S+ 0 0 9 266,-3.3 4,-2.0 1,-0.3 3,-0.7 0.856 129.3 60.3 -50.2 -39.1 16.5 25.8 158.9 51 51 A K H 3> S+ 0 0 20 265,-0.3 4,-3.0 1,-0.3 -1,-0.3 0.843 99.3 57.2 -60.2 -34.2 18.9 28.2 157.0 52 52 A T H <> S+ 0 0 0 -3,-1.2 4,-1.0 2,-0.2 -1,-0.3 0.834 104.4 50.9 -67.5 -32.9 16.8 31.1 158.1 53 53 A R H XX S+ 0 0 15 -4,-1.0 3,-0.7 -3,-0.7 4,-0.6 0.937 111.4 49.3 -68.6 -43.3 17.2 30.2 161.8 54 54 A K H >< S+ 0 0 0 -4,-2.0 3,-1.7 1,-0.2 4,-0.3 0.956 106.6 57.0 -55.5 -51.0 21.0 30.0 161.1 55 55 A L H >X S+ 0 0 0 -4,-3.0 4,-2.4 1,-0.3 3,-1.6 0.724 87.1 75.1 -55.3 -27.8 21.0 33.4 159.4 56 56 A E H << S+ 0 0 5 -4,-1.0 -47,-3.1 -3,-0.7 -1,-0.3 0.874 100.4 45.5 -56.2 -32.9 19.5 35.2 162.4 57 57 A Y T << S+ 0 0 21 -3,-1.7 4,-0.3 -4,-0.6 -1,-0.3 0.495 114.1 48.7 -88.0 -4.2 22.9 34.9 164.1 58 58 A L T <> S+ 0 0 0 -3,-1.6 4,-2.1 -4,-0.3 3,-0.4 0.801 95.6 67.3-101.2 -37.3 24.9 36.0 161.0 59 59 A I H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 5,-0.3 0.820 93.0 60.2 -56.3 -36.4 23.0 39.2 159.9 60 60 A P H > S+ 0 0 24 0, 0.0 4,-3.7 0, 0.0 -1,-0.2 0.969 109.1 43.6 -58.3 -47.9 24.0 41.2 163.0 61 61 A E H > S+ 0 0 63 -3,-0.4 4,-3.7 -4,-0.3 6,-0.2 0.959 112.6 52.2 -58.8 -51.3 27.7 40.8 162.0 62 62 A A H <>S+ 0 0 0 -4,-2.1 5,-2.1 1,-0.2 -1,-0.2 0.880 115.9 41.4 -51.6 -41.4 26.9 41.5 158.3 63 63 A L H ><5S+ 0 0 78 -4,-2.7 3,-1.6 -5,-0.2 -1,-0.2 0.905 113.8 52.4 -73.6 -42.3 25.1 44.7 159.5 64 64 A A H 3<5S+ 0 0 85 -4,-3.7 -2,-0.2 1,-0.3 -3,-0.2 0.913 107.7 51.8 -59.6 -43.1 27.8 45.5 162.0 65 65 A Q T 3<5S- 0 0 92 -4,-3.7 -1,-0.3 -5,-0.2 -2,-0.2 0.428 115.1-119.9 -74.9 2.4 30.5 45.2 159.4 66 66 A G T < 5 + 0 0 54 -3,-1.6 -3,-0.2 -5,-0.2 -2,-0.1 0.689 51.9 167.0 68.5 19.4 28.5 47.6 157.2 67 67 A C < - 0 0 11 -5,-2.1 -1,-0.2 -6,-0.2 3,-0.1 -0.344 23.8-169.0 -67.0 147.3 28.1 45.1 154.3 68 68 A D + 0 0 56 80,-1.9 26,-2.6 1,-0.2 2,-0.4 0.387 67.1 51.5-116.9 1.9 25.5 46.0 151.7 69 69 A T E -fg 94 149B 6 79,-1.6 81,-2.5 24,-0.2 2,-0.5 -1.000 65.3-145.6-142.5 137.3 25.3 42.7 149.8 70 70 A L E -fg 95 150B 0 24,-2.7 26,-2.2 -2,-0.4 2,-0.5 -0.897 20.5-169.5-102.5 129.4 24.8 39.1 150.8 71 71 A V E +fg 96 151B 0 79,-2.5 81,-3.4 -2,-0.5 2,-0.2 -0.973 17.1 149.0-122.7 125.8 26.7 36.6 148.8 72 72 A S E -fg 97 152B 0 24,-2.1 26,-2.0 -2,-0.5 2,-0.3 -0.764 23.7-147.4-142.2-169.7 26.1 32.9 149.0 73 73 A I E +f 98 0B 17 79,-0.5 82,-0.5 -2,-0.2 2,-0.3 -0.990 24.1 130.6-161.3 159.1 26.2 29.7 147.0 74 74 A G E -f 99 0B 1 24,-1.7 26,-1.9 -2,-0.3 -2,-0.0 -0.955 53.6 -51.8 171.4-179.3 24.7 26.3 146.5 75 75 A G E > -f 100 0B 2 -2,-0.3 3,-1.5 24,-0.2 26,-0.2 0.010 64.9 -87.6 -66.6-179.3 23.3 23.9 144.0 76 76 A I T 3 S+ 0 0 3 24,-0.8 40,-0.2 1,-0.3 25,-0.1 0.922 129.9 34.8 -58.5 -46.5 20.6 24.7 141.5 77 77 A Q T 3 S+ 0 0 10 38,-0.1 -1,-0.3 39,-0.1 38,-0.1 0.009 87.1 155.2 -99.3 28.3 17.7 23.9 143.9 78 78 A S <> - 0 0 7 -3,-1.5 4,-0.8 1,-0.2 -4,-0.1 -0.296 34.8-160.4 -57.1 133.4 19.5 25.1 146.9 79 79 A N H > S+ 0 0 6 2,-0.2 4,-2.5 1,-0.1 5,-0.2 0.873 88.5 63.7 -81.0 -37.6 17.2 26.2 149.8 80 80 A Q H > S+ 0 0 5 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.911 101.3 46.3 -49.3 -57.3 20.0 28.2 151.3 81 81 A T H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.847 110.4 53.6 -60.9 -35.4 20.4 30.7 148.4 82 82 A R H X S+ 0 0 1 -4,-0.8 4,-2.2 2,-0.2 -1,-0.2 0.942 110.8 46.4 -65.1 -45.0 16.7 31.2 148.2 83 83 A Q H X S+ 0 0 2 -4,-2.5 4,-2.9 1,-0.2 -2,-0.2 0.874 111.7 52.2 -64.7 -35.2 16.5 32.1 151.9 84 84 A V H X S+ 0 0 0 -4,-2.3 4,-2.5 -5,-0.2 -1,-0.2 0.912 109.1 50.4 -65.4 -41.5 19.6 34.3 151.5 85 85 A A H X S+ 0 0 2 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.911 113.7 44.0 -63.0 -41.0 17.8 36.1 148.6 86 86 A A H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.942 114.0 49.2 -70.0 -46.8 14.6 36.6 150.7 87 87 A V H X S+ 0 0 0 -4,-2.9 4,-2.2 1,-0.2 6,-0.2 0.893 111.6 51.1 -59.1 -38.5 16.5 37.8 153.8 88 88 A A H X>S+ 0 0 0 -4,-2.5 5,-2.8 -5,-0.2 4,-0.8 0.957 109.8 47.5 -64.7 -51.6 18.6 40.2 151.7 89 89 A A H ><5S+ 0 0 6 -4,-2.2 3,-1.2 1,-0.2 -2,-0.2 0.937 112.4 51.4 -53.6 -46.9 15.5 41.7 150.1 90 90 A H H 3<5S+ 0 0 60 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.887 111.7 46.3 -59.2 -40.4 13.9 42.1 153.5 91 91 A L H 3<5S- 0 0 29 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.484 115.7-112.0 -82.2 -2.3 17.0 43.8 154.9 92 92 A G T <<5S+ 0 0 42 -3,-1.2 2,-0.3 -4,-0.8 -3,-0.2 0.757 74.8 133.4 77.4 22.0 17.4 46.2 152.0 93 93 A M < - 0 0 19 -5,-2.8 -1,-0.3 -6,-0.2 -24,-0.2 -0.702 56.8-117.7-105.5 158.0 20.6 44.5 150.8 94 94 A K E -f 69 0B 147 -26,-2.6 -24,-2.7 -2,-0.3 2,-0.3 -0.365 29.9-148.2 -84.3 171.2 21.7 43.3 147.4 95 95 A C E -f 70 0B 12 28,-0.3 30,-2.1 -26,-0.2 2,-0.4 -0.993 16.9-172.9-148.1 138.7 22.3 39.6 146.8 96 96 A V E -fh 71 125B 9 -26,-2.2 -24,-2.1 -2,-0.3 2,-0.4 -0.999 11.8-169.0-130.5 132.4 24.6 37.6 144.6 97 97 A L E -fh 72 126B 0 28,-2.7 30,-3.2 -2,-0.4 2,-0.6 -0.988 13.3-155.5-128.6 133.6 24.2 33.8 144.3 98 98 A V E -fh 73 127B 2 -26,-2.0 -24,-1.7 -2,-0.4 2,-0.5 -0.940 19.9-170.1-104.9 116.2 26.6 31.4 142.7 99 99 A Q E -fh 74 128B 0 28,-3.2 30,-2.1 -2,-0.6 2,-0.3 -0.962 3.2-173.2-116.1 131.9 24.7 28.3 141.7 100 100 A E E -f 75 0B 36 -26,-1.9 2,-1.5 -2,-0.5 -24,-0.8 -0.793 36.9-105.3-120.7 160.1 26.4 25.2 140.6 101 101 A N + 0 0 53 -2,-0.3 -26,-0.1 28,-0.2 -2,-0.0 -0.692 50.5 159.8 -82.7 90.2 25.2 21.9 139.2 102 102 A W + 0 0 98 -2,-1.5 2,-0.4 2,-0.0 -1,-0.2 0.428 53.3 66.8 -92.9 -0.5 25.8 19.9 142.3 103 103 A V S S- 0 0 14 2,-0.2 2,-2.1 -3,-0.1 160,-0.1 -0.958 77.7-131.6-127.7 141.9 23.5 17.1 141.3 104 104 A N S S+ 0 0 125 158,-0.4 2,-0.3 -2,-0.4 -2,-0.0 -0.563 74.7 112.6 -85.7 72.6 23.6 14.5 138.5 105 105 A Y - 0 0 27 -2,-2.1 -2,-0.2 2,-0.1 159,-0.0 -0.987 45.5-171.9-143.6 142.0 20.1 15.4 137.5 106 106 A S + 0 0 27 -2,-0.3 1220,-0.6 4,-0.0 1221,-0.3 -0.142 15.8 167.1-138.2 49.9 18.9 17.1 134.3 107 107 A D > - 0 0 2 217,-0.2 3,-1.9 1,-0.1 4,-0.3 -0.295 44.0-117.8 -66.2 141.6 15.2 18.0 134.5 108 108 A A T 3 S+ 0 0 2 1,-0.3 3,-0.2 2,-0.1 -1,-0.1 0.775 112.9 27.6 -49.1 -35.3 13.8 20.3 131.8 109 109 A V T >> S+ 0 0 0 1,-0.1 3,-2.5 215,-0.1 4,-0.7 0.204 82.5 121.7-116.5 20.3 12.8 23.0 134.3 110 110 A Y T <4 S+ 0 0 7 -3,-1.9 3,-0.3 1,-0.3 6,-0.3 0.823 81.7 40.8 -51.6 -38.2 15.4 22.3 137.0 111 111 A D T 34 S+ 0 0 6 -4,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.158 116.6 49.3 -99.7 21.4 16.8 25.8 136.8 112 112 A R T <4 S+ 0 0 24 -3,-2.5 2,-0.2 542,-0.0 -2,-0.2 0.369 100.4 52.5-141.2 5.7 13.5 27.6 136.5 113 113 A V S >X S+ 0 0 0 -4,-0.7 4,-1.1 -3,-0.3 3,-0.7 -0.741 93.2 12.0-130.7 179.8 11.1 26.4 139.2 114 114 A G H 3> S+ 0 0 0 -2,-0.2 4,-2.0 1,-0.2 207,-0.2 -0.152 121.9 0.4 58.3-135.4 11.1 26.1 142.9 115 115 A N H 3> S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.915 133.6 47.0 -56.7 -50.8 13.9 27.6 144.9 116 116 A I H <> S+ 0 0 0 -3,-0.7 4,-2.1 -6,-0.3 -1,-0.2 0.848 107.9 57.3 -67.4 -30.7 15.9 29.3 142.1 117 117 A Q H X S+ 0 0 2 -4,-1.1 4,-2.2 1,-0.2 -1,-0.2 0.953 108.1 48.3 -62.5 -46.1 12.7 30.7 140.6 118 118 A M H X S+ 0 0 8 -4,-2.0 4,-3.0 1,-0.2 -2,-0.2 0.920 106.3 56.2 -60.4 -42.9 12.0 32.5 143.8 119 119 A S H <>S+ 0 0 0 -4,-2.1 5,-1.9 1,-0.2 -1,-0.2 0.933 108.7 47.7 -56.3 -43.9 15.6 33.8 144.1 120 120 A R H ><5S+ 0 0 27 -4,-2.1 3,-1.3 1,-0.2 -1,-0.2 0.903 112.6 47.4 -63.8 -41.9 15.2 35.5 140.7 121 121 A I H 3<5S+ 0 0 0 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.899 105.5 60.8 -64.5 -38.5 11.9 37.0 141.6 122 122 A L T 3<5S- 0 0 6 -4,-3.0 -1,-0.3 -5,-0.2 -2,-0.2 0.410 122.0-108.0 -68.9 1.8 13.4 38.2 144.9 123 123 A G T < 5 + 0 0 40 -3,-1.3 -28,-0.3 1,-0.2 -3,-0.2 0.476 66.2 149.8 86.9 2.7 15.8 40.2 142.9 124 124 A A < - 0 0 14 -5,-1.9 2,-1.0 -30,-0.1 -1,-0.2 -0.265 54.6-118.1 -67.4 156.0 19.1 38.2 143.5 125 125 A D E -h 96 0B 71 -30,-2.1 -28,-2.7 2,-0.0 2,-0.8 -0.875 37.3-159.0 -94.2 102.6 21.8 38.2 140.7 126 126 A V E -h 97 0B 22 -2,-1.0 2,-0.6 -30,-0.2 -28,-0.2 -0.803 7.0-165.8 -93.7 110.4 21.7 34.5 140.1 127 127 A R E -h 98 0B 81 -30,-3.2 -28,-3.2 -2,-0.8 2,-0.8 -0.865 8.2-154.9-105.6 117.9 24.8 33.2 138.5 128 128 A L E -h 99 0B 68 -2,-0.6 -28,-0.2 -30,-0.2 -30,-0.1 -0.796 25.6-122.5 -92.7 109.8 24.9 29.8 136.9 129 129 A V - 0 0 17 -30,-2.1 -28,-0.2 -2,-0.8 -1,-0.0 -0.329 53.0 -77.0 -54.5 116.8 28.5 28.4 136.8 130 130 A P 0 0 107 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 0.237 360.0 360.0 23.7-136.9 29.3 27.6 133.1 131 131 A D 0 0 128 1199,-0.0 1199,-0.3 -30,-0.0 -2,-0.1 0.341 360.0 360.0 34.8 360.0 27.8 24.5 131.5 132 ! 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 0.0 133 139 A R > 0 0 192 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 108.3 36.7 30.9 140.8 134 140 A S H > + 0 0 40 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.917 360.0 51.9 -57.5 -46.2 33.0 31.6 140.6 135 141 A W H > S+ 0 0 46 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.909 112.3 43.1 -59.0 -48.4 32.9 32.4 144.3 136 142 A E H > S+ 0 0 96 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.894 112.4 52.5 -68.1 -42.0 35.8 34.9 144.2 137 143 A D H X S+ 0 0 108 -4,-2.6 4,-3.3 2,-0.2 -1,-0.2 0.931 109.5 52.3 -58.7 -42.4 34.6 36.6 141.1 138 144 A A H X S+ 0 0 0 -4,-2.3 4,-1.4 -5,-0.2 -2,-0.2 0.970 112.7 41.9 -56.8 -57.7 31.2 37.0 142.8 139 145 A L H X S+ 0 0 9 -4,-2.3 4,-1.5 1,-0.2 -1,-0.2 0.904 117.7 47.6 -58.4 -42.6 32.7 38.6 145.9 140 146 A E H X S+ 0 0 96 -4,-3.1 4,-3.5 1,-0.2 5,-0.3 0.885 103.5 60.2 -68.4 -38.0 35.1 40.8 143.8 141 147 A S H X S+ 0 0 36 -4,-3.3 4,-1.3 -5,-0.3 -1,-0.2 0.873 105.7 51.0 -57.4 -34.4 32.3 41.9 141.4 142 148 A V H X>S+ 0 0 9 -4,-1.4 5,-2.7 2,-0.2 4,-0.5 0.895 112.9 43.5 -69.3 -41.9 30.6 43.4 144.5 143 149 A R H ><5S+ 0 0 123 -4,-1.5 3,-2.2 1,-0.2 -2,-0.2 0.966 111.8 53.5 -67.1 -51.5 33.7 45.2 145.6 144 150 A A H 3<5S+ 0 0 78 -4,-3.5 -1,-0.2 1,-0.3 -2,-0.2 0.809 108.4 52.3 -52.0 -31.6 34.5 46.4 142.1 145 151 A A H 3<5S- 0 0 90 -4,-1.3 -1,-0.3 -5,-0.3 -2,-0.2 0.631 126.0-101.2 -81.8 -14.3 30.9 47.7 141.9 146 152 A G T <<5S+ 0 0 67 -3,-2.2 -3,-0.2 -4,-0.5 -2,-0.1 0.415 84.1 114.7 110.1 -1.2 31.4 49.7 145.1 147 153 A G < - 0 0 18 -5,-2.7 -1,-0.3 -6,-0.2 -80,-0.1 -0.255 61.5-126.4 -93.1-177.4 29.6 47.4 147.6 148 154 A K - 0 0 106 -82,-0.1 -80,-1.9 -3,-0.1 -79,-1.6 -0.964 25.5-146.9-132.1 113.3 30.8 45.4 150.5 149 155 A P E -g 69 0B 21 0, 0.0 2,-0.6 0, 0.0 -79,-0.2 -0.592 6.8-151.7 -85.6 143.6 29.9 41.7 150.4 150 156 A Y E -g 70 0B 6 -81,-2.5 -79,-2.5 -2,-0.2 2,-0.5 -0.969 26.9-136.6-108.1 117.5 29.1 39.6 153.5 151 157 A A E -g 71 0B 39 -2,-0.6 -79,-0.2 -81,-0.2 -81,-0.1 -0.660 19.4-170.4 -83.9 124.5 30.1 36.1 152.5 152 158 A I E -g 72 0B 0 -81,-3.4 -79,-0.5 -2,-0.5 3,-0.1 -0.907 16.9-144.5-115.7 106.0 27.8 33.2 153.4 153 159 A P > - 0 0 30 0, 0.0 3,-2.6 0, 0.0 4,-0.1 -0.063 45.8 -56.2 -60.4 165.2 29.4 29.8 152.8 154 160 A A G >> S- 0 0 32 1,-0.3 3,-1.6 2,-0.2 4,-0.6 -0.091 124.0 -7.0 -46.0 134.7 27.4 26.8 151.6 155 161 A G G 34 S- 0 0 6 -82,-0.5 -1,-0.3 1,-0.3 -101,-0.1 0.423 108.1 -91.1 56.9 0.9 24.5 26.1 154.0 156 162 A C G <4 S+ 0 0 0 -3,-2.6 3,-0.3 2,-0.1 -1,-0.3 0.517 102.2 117.7 73.9 3.6 25.8 28.7 156.4 157 163 A S T <4 + 0 0 1 -3,-1.6 2,-2.7 1,-0.2 5,-0.2 0.985 56.4 52.1 -71.7 -63.8 27.7 25.8 158.0 158 164 A D S < S+ 0 0 84 -4,-0.6 -1,-0.2 4,-0.1 -2,-0.1 -0.357 89.1 106.0 -75.9 65.5 31.5 26.4 157.8 159 165 A H S > S- 0 0 24 -2,-2.7 3,-0.7 -3,-0.3 4,-0.3 -0.980 82.1-115.9-140.1 146.5 31.2 29.9 159.3 160 166 A P T 3 S+ 0 0 67 0, 0.0 3,-0.3 0, 0.0 79,-0.1 0.887 117.6 33.6 -52.2 -37.8 32.2 31.0 162.8 161 167 A L T >> S+ 0 0 17 1,-0.2 3,-1.5 2,-0.1 4,-0.6 0.513 90.1 97.2 -95.6 -8.3 28.5 31.8 163.6 162 168 A G T <4 S+ 0 0 0 -3,-0.7 4,-0.3 1,-0.2 37,-0.2 0.512 81.1 53.6 -62.6 -5.9 26.7 29.2 161.6 163 169 A G T 34 S+ 0 0 0 -3,-0.3 4,-0.3 -4,-0.3 -1,-0.2 0.539 88.9 78.7-104.8 -8.5 26.2 26.8 164.5 164 170 A L T X> S+ 0 0 0 -3,-1.5 3,-2.5 1,-0.2 4,-1.9 0.924 80.5 64.7 -64.7 -49.5 24.5 29.2 166.8 165 171 A G H 3X S+ 0 0 0 -4,-0.6 4,-0.7 1,-0.3 3,-0.3 0.913 106.9 43.2 -41.9 -55.1 21.1 29.1 165.3 166 172 A F H 3> S+ 0 0 0 29,-0.3 4,-0.8 -4,-0.3 -1,-0.3 0.464 102.0 64.0 -79.9 3.9 20.7 25.5 166.2 167 173 A V H X> S+ 0 0 1 -3,-2.5 4,-1.3 -4,-0.3 3,-0.6 0.876 105.2 49.9 -81.4 -41.5 22.1 25.7 169.7 168 174 A G H 3X S+ 0 0 12 -4,-1.9 4,-2.2 -3,-0.3 -2,-0.2 0.721 99.8 65.4 -62.8 -23.8 19.1 27.9 170.3 169 175 A F H 3X S+ 0 0 0 -4,-0.7 4,-2.7 -5,-0.3 -1,-0.3 0.925 102.7 46.7 -63.9 -43.8 16.9 25.2 168.8 170 176 A A H S+ 0 0 9 -4,-2.2 5,-1.6 1,-0.2 4,-1.5 0.840 101.7 61.7 -64.9 -30.0 9.5 20.3 177.0 178 184 A A H <5S+ 0 0 67 -4,-1.5 3,-0.2 1,-0.2 -1,-0.2 0.922 109.0 39.0 -61.0 -45.4 8.8 22.3 180.1 179 185 A E H <5S+ 0 0 177 -4,-1.0 -1,-0.2 1,-0.2 -2,-0.2 0.720 114.7 56.0 -77.3 -19.9 5.2 22.9 179.0 180 186 A L H <5S- 0 0 73 -4,-1.6 -2,-0.2 2,-0.2 -1,-0.2 0.686 102.2-132.9 -84.1 -18.8 5.1 19.3 177.8 181 187 A G T <5S+ 0 0 71 -4,-1.5 2,-0.3 -3,-0.2 -3,-0.2 0.784 75.9 62.5 71.7 24.4 6.0 17.9 181.1 182 188 A F S S+ 0 0 3 -4,-0.1 4,-2.1 1,-0.1 5,-0.1 0.113 70.0 107.5 93.4 -22.0 26.5 20.1 159.0 195 201 A S H > S+ 0 0 0 2,-0.2 4,-1.8 1,-0.2 -29,-0.3 0.633 80.6 60.9 -73.1 -5.9 26.0 23.2 161.2 196 202 A T H > S+ 0 0 7 2,-0.2 4,-2.0 1,-0.1 -1,-0.2 0.965 111.3 36.6 -78.6 -56.1 22.4 22.3 161.8 197 203 A Q H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.822 115.7 58.9 -62.2 -29.7 23.2 19.0 163.5 198 204 A A H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 5,-0.2 0.972 104.8 47.0 -63.3 -55.2 26.2 20.7 165.0 199 205 A G H X S+ 0 0 0 -4,-1.8 4,-3.2 1,-0.2 -2,-0.2 0.903 114.4 48.9 -51.9 -45.0 24.1 23.4 166.8 200 206 A M H X S+ 0 0 0 -4,-2.0 4,-2.8 2,-0.2 -1,-0.2 0.880 107.9 53.9 -62.5 -40.8 21.8 20.7 168.0 201 207 A V H X S+ 0 0 0 -4,-2.4 4,-1.1 2,-0.2 -2,-0.2 0.915 114.3 41.4 -61.5 -41.8 24.7 18.6 169.3 202 208 A V H X S+ 0 0 0 -4,-2.4 4,-1.3 2,-0.2 3,-0.4 0.941 114.1 52.2 -71.3 -48.1 26.0 21.5 171.3 203 209 A G H < S+ 0 0 0 -4,-3.2 4,-0.4 1,-0.2 -2,-0.2 0.892 116.5 38.5 -54.6 -45.2 22.6 22.5 172.5 204 210 A F H <>S+ 0 0 4 -4,-2.8 5,-3.9 1,-0.2 6,-0.5 0.611 99.2 73.8 -84.6 -13.4 21.7 19.1 173.8 205 211 A A H ><5S+ 0 0 0 -4,-1.1 3,-3.7 -3,-0.4 -1,-0.2 0.940 86.8 70.4 -61.2 -43.5 25.1 18.3 175.1 206 212 A A T 3<5S+ 0 0 43 -4,-1.3 -1,-0.2 1,-0.3 -2,-0.2 0.852 109.5 29.0 -37.4 -56.7 24.1 20.7 177.9 207 213 A D T 3 5S- 0 0 44 -4,-0.4 -1,-0.3 -3,-0.2 -2,-0.2 -0.033 124.2-103.4 -99.1 32.1 21.6 18.3 179.3 208 214 A G T < 5S+ 0 0 35 -3,-3.7 -3,-0.3 1,-0.1 -2,-0.1 0.799 90.6 113.4 54.7 41.5 23.6 15.4 178.1 209 215 A R >>< + 0 0 20 -5,-3.9 3,-3.1 -8,-0.1 4,-0.7 0.228 28.4 118.3-122.8 14.1 21.6 14.3 175.1 210 216 A A G >4 S+ 0 0 1 -6,-0.5 3,-1.9 1,-0.3 42,-0.3 0.910 79.4 50.7 -46.0 -49.7 24.0 15.1 172.3 211 217 A D G 34 S+ 0 0 77 1,-0.3 -1,-0.3 -7,-0.1 -2,-0.1 0.451 99.2 67.8 -72.5 2.9 24.1 11.5 171.2 212 218 A R G <4 S+ 0 0 72 -3,-3.1 -25,-1.9 -11,-0.1 2,-1.1 0.594 75.5 93.5 -92.7 -17.6 20.3 11.5 171.2 213 219 A V E << S-d 187 0A 1 -3,-1.9 2,-1.1 -4,-0.7 39,-0.6 -0.690 71.4-155.6 -76.0 102.1 20.4 13.9 168.2 214 220 A I E -de 188 252A 24 -27,-3.9 -25,-1.8 -2,-1.1 2,-0.2 -0.719 6.0-158.1 -90.7 100.5 20.2 11.3 165.4 215 221 A G E -de 189 253A 0 37,-1.7 39,-3.2 -2,-1.1 2,-0.5 -0.458 3.1-155.4 -75.8 144.0 21.6 12.7 162.2 216 222 A V E -de 190 254A 0 -27,-2.6 -25,-2.8 37,-0.2 2,-0.2 -0.978 18.9-130.4-122.9 114.3 20.6 11.2 158.9 217 223 A D E +d 191 0A 0 37,-3.0 40,-0.2 -2,-0.5 -25,-0.2 -0.430 33.9 165.4 -68.5 133.4 23.2 11.7 156.1 218 224 A A + 0 0 0 -27,-2.2 45,-0.4 -2,-0.2 -26,-0.2 0.308 64.9 78.0-124.7 2.4 21.9 13.1 152.8 219 225 A S S S- 0 0 9 -28,-0.6 43,-0.5 43,-0.1 -27,-0.1 0.743 86.9-138.1 -84.0 -23.7 25.3 14.1 151.4 220 226 A A S S+ 0 0 40 41,-0.2 3,-0.1 1,-0.1 42,-0.1 0.715 87.2 91.8 69.4 18.9 26.2 10.5 150.4 221 227 A K > + 0 0 122 1,-0.1 4,-2.3 40,-0.1 3,-0.3 -0.514 52.9 171.5-138.9 60.9 29.7 11.4 151.7 222 228 A P H > S+ 0 0 29 0, 0.0 4,-3.4 0, 0.0 5,-0.3 0.844 71.9 53.2 -37.5 -57.0 29.2 10.2 155.3 223 229 A A H > S+ 0 0 72 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.923 112.3 41.1 -52.2 -56.3 32.8 10.6 156.3 224 230 A Q H > S+ 0 0 127 -3,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.926 118.3 46.4 -61.0 -49.0 33.3 14.2 155.3 225 231 A T H X S+ 0 0 7 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.963 112.2 50.4 -59.0 -53.2 29.9 15.3 156.6 226 232 A R H X S+ 0 0 78 -4,-3.4 4,-2.5 -5,-0.2 -1,-0.2 0.901 112.3 48.3 -50.7 -46.3 30.4 13.5 159.9 227 233 A E H X S+ 0 0 104 -4,-2.4 4,-2.8 -5,-0.3 -1,-0.2 0.907 111.3 49.7 -63.3 -42.4 33.8 15.2 160.2 228 234 A Q H X S+ 0 0 47 -4,-2.6 4,-2.7 2,-0.2 5,-0.2 0.863 110.0 49.9 -67.9 -34.5 32.4 18.6 159.5 229 235 A I H X S+ 0 0 0 -4,-2.6 4,-3.2 2,-0.2 5,-0.2 0.991 111.6 49.7 -64.0 -57.2 29.6 18.2 162.0 230 236 A T H X S+ 0 0 17 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.914 115.3 43.2 -44.5 -54.5 32.1 17.2 164.6 231 237 A R H X S+ 0 0 91 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.915 113.6 48.8 -63.0 -45.7 34.4 20.1 163.9 232 238 A I H X S+ 0 0 6 -4,-2.7 4,-2.3 -5,-0.2 -1,-0.2 0.904 111.6 53.0 -61.8 -38.5 31.6 22.7 163.6 233 239 A A H X S+ 0 0 0 -4,-3.2 4,-3.7 -5,-0.2 -2,-0.2 0.968 108.2 47.5 -60.5 -53.9 30.2 21.4 166.9 234 240 A R H X S+ 0 0 114 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.912 113.8 48.8 -55.6 -42.9 33.5 21.7 168.8 235 241 A Q H X S+ 0 0 54 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.894 114.7 44.2 -64.3 -42.7 34.0 25.3 167.5 236 242 A T H X S+ 0 0 0 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.920 108.4 58.0 -70.3 -41.1 30.5 26.3 168.4 237 243 A A H 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