==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 07-MAR-08 2ZJF . COMPND 2 MOLECULE: PROBABLE EPOXIDE HYDROLASE EPHB; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR B.K.BISWAL,TB STRUCTURAL GENOMICS CONSORTIUM (TBSGC) . 346 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14333.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 227 65.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 30 8.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 14 4.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 0 0.0 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-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 . 20 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 15.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 101 29.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 2 2 2 3 1 1 0 2 0 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 3 1 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 PARALLEL BRIDGES PER LADDER . 0 0 1 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 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 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 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 4 A V 0 0 101 0, 0.0 15,-3.5 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 -36.1 21.6 -4.4 30.5 2 5 A H E -A 15 0A 102 13,-0.2 2,-0.4 11,-0.0 13,-0.2 -0.780 360.0-176.2 -90.5 131.5 18.9 -3.3 32.9 3 6 A R E -A 14 0A 121 11,-3.1 11,-2.4 -2,-0.5 2,-0.6 -0.955 24.1-151.3-131.9 149.0 19.0 0.4 33.8 4 7 A I E -A 13 0A 88 -2,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.949 22.7-174.8-118.0 108.4 17.2 2.8 36.1 5 8 A L E +A 12 0A 22 7,-3.1 7,-2.9 -2,-0.6 81,-0.1 -0.720 18.3 159.7-101.8 154.7 17.1 6.3 34.7 6 9 A N + 0 0 86 -2,-0.3 3,-0.2 5,-0.2 5,-0.2 -0.315 6.6 157.4-171.6 73.6 15.7 9.4 36.5 7 10 A C S S+ 0 0 60 3,-0.3 4,-0.1 1,-0.2 75,-0.0 0.852 81.2 12.6 -76.2 -34.6 17.1 12.6 35.1 8 11 A R S S- 0 0 166 2,-0.3 -1,-0.2 74,-0.0 3,-0.1 -0.087 125.4 -62.2-139.1 43.4 14.3 14.9 36.3 9 12 A G S S+ 0 0 57 -3,-0.2 2,-0.5 1,-0.2 -2,-0.0 0.262 104.7 98.2 102.0 -15.1 11.9 13.3 38.8 10 13 A T - 0 0 21 72,-0.0 2,-0.4 56,-0.0 -2,-0.3 -0.945 66.0-136.6-114.9 125.2 10.5 10.4 36.7 11 14 A R - 0 0 93 -2,-0.5 55,-2.1 -5,-0.2 2,-0.5 -0.629 22.2-175.1 -78.9 124.4 11.9 6.9 37.0 12 15 A I E -A 5 0A 6 -7,-2.9 -7,-3.1 -2,-0.4 2,-0.3 -0.978 9.0-155.7-124.7 120.1 12.3 5.2 33.7 13 16 A H E +A 4 0A 1 -2,-0.5 45,-2.0 45,-0.4 2,-0.3 -0.690 22.0 167.9 -92.0 145.7 13.4 1.6 33.6 14 17 A A E -AB 3 57A 0 -11,-2.4 -11,-3.1 -2,-0.3 2,-0.5 -0.975 37.4-131.0-154.0 168.0 15.1 0.1 30.5 15 18 A V E -AB 2 56A 4 41,-2.1 41,-2.5 -2,-0.3 2,-0.3 -0.992 36.6-178.5-121.9 118.2 17.1 -2.6 28.9 16 19 A A E + B 0 55A 10 -15,-3.5 2,-0.3 -2,-0.5 39,-0.2 -0.802 11.5 166.9-120.2 161.8 20.2 -1.4 27.0 17 20 A D E + B 0 54A 62 37,-1.7 37,-2.4 -2,-0.3 -2,-0.0 -0.968 6.1 149.1-165.3 158.7 22.9 -2.9 24.9 18 21 A S - 0 0 29 -2,-0.3 35,-0.2 35,-0.2 30,-0.1 -0.970 54.3 -49.2-178.4 177.1 25.7 -1.8 22.6 19 22 A P > - 0 0 26 0, 0.0 3,-2.9 0, 0.0 4,-0.2 -0.302 62.9-104.8 -61.5 155.5 29.2 -2.7 21.4 20 23 A P T 3 S+ 0 0 126 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.793 122.6 62.7 -52.6 -30.4 31.6 -3.4 24.2 21 24 A D T 3 S- 0 0 89 2,-0.2 3,-0.1 1,-0.1 0, 0.0 0.522 106.0-133.0 -73.4 -3.2 33.2 -0.0 23.7 22 25 A Q < + 0 0 139 -3,-2.9 2,-0.4 1,-0.2 31,-0.1 0.905 63.6 125.0 50.2 47.6 29.8 1.4 24.6 23 26 A Q + 0 0 131 -4,-0.2 -1,-0.2 29,-0.1 -2,-0.2 -0.999 23.5 81.7-140.2 139.7 30.0 3.7 21.6 24 27 A G S S- 0 0 24 -2,-0.4 28,-0.2 -3,-0.1 27,-0.1 -0.774 80.0 -40.5 149.3 167.3 27.7 4.3 18.7 25 28 A P - 0 0 31 0, 0.0 28,-2.1 0, 0.0 2,-0.3 -0.314 63.8-116.7 -57.1 132.7 24.5 6.2 17.6 26 29 A L E -c 53 0A 3 68,-0.4 70,-2.8 26,-0.2 2,-0.5 -0.580 30.5-169.3 -76.2 130.4 21.8 6.1 20.4 27 30 A V E -cd 54 96A 0 26,-3.4 28,-3.1 -2,-0.3 2,-0.5 -0.976 4.1-160.0-123.8 118.0 18.6 4.3 19.3 28 31 A V E -cd 55 97A 0 68,-2.9 70,-2.8 -2,-0.5 2,-0.6 -0.857 3.4-155.5-102.4 124.9 15.6 4.6 21.6 29 32 A L E -cd 56 98A 0 26,-3.1 28,-1.4 -2,-0.5 2,-0.6 -0.868 5.9-164.9-103.6 121.9 12.8 2.0 21.3 30 33 A L E - d 0 99A 0 68,-3.3 70,-2.5 -2,-0.6 73,-0.2 -0.912 9.5-151.4-110.7 115.2 9.3 3.0 22.5 31 34 A H - 0 0 0 -2,-0.6 6,-0.1 26,-0.5 2,-0.1 -0.184 8.4-141.8 -77.0 169.9 6.7 0.2 23.0 32 35 A G > - 0 0 0 70,-0.2 3,-2.3 4,-0.2 69,-0.2 -0.159 42.6 -17.1-113.4-153.0 2.9 0.4 22.7 33 36 A F T 3 S- 0 0 7 1,-0.3 3,-0.1 -2,-0.1 69,-0.0 -0.874 123.8 -3.3-107.3 129.8 -0.2 -0.9 24.4 34 37 A P T 3 S+ 0 0 7 0, 0.0 -1,-0.3 0, 0.0 2,-0.1 -0.029 114.6 93.5-108.0 88.6 -0.2 -3.2 26.2 35 38 A E < - 0 0 3 -3,-2.3 2,-0.3 215,-0.0 28,-0.2 -0.227 48.0-149.1-120.1-155.8 3.5 -4.0 25.8 36 39 A S > - 0 0 1 -2,-0.1 3,-2.1 26,-0.1 4,-0.2 -0.935 49.5 -70.6-163.6-175.6 6.9 -3.4 27.3 37 40 A W G > S+ 0 0 33 1,-0.3 3,-2.0 -2,-0.3 21,-0.1 0.854 123.3 71.8 -56.6 -31.1 10.6 -3.1 26.6 38 41 A Y G > S+ 0 0 38 1,-0.3 3,-1.9 2,-0.2 -1,-0.3 0.702 77.1 75.0 -57.9 -23.8 10.3 -6.9 26.0 39 42 A S G < S+ 0 0 0 -3,-2.1 -1,-0.3 1,-0.3 3,-0.3 0.675 95.8 51.5 -64.6 -15.8 8.4 -6.3 22.7 40 43 A W G X> S+ 0 0 0 -3,-2.0 4,-2.3 -4,-0.2 3,-2.2 0.246 71.4 118.8-102.3 9.1 11.8 -5.3 21.2 41 44 A R T <4 S+ 0 0 35 -3,-1.9 -1,-0.2 1,-0.3 -2,-0.1 0.750 78.3 48.2 -47.0 -31.0 13.6 -8.5 22.4 42 45 A H T 34 S+ 0 0 75 -3,-0.3 4,-0.4 -4,-0.2 -1,-0.3 0.642 114.2 46.2 -86.5 -15.7 14.3 -9.4 18.7 43 46 A Q T <> S+ 0 0 0 -3,-2.2 4,-2.9 2,-0.1 5,-0.3 0.843 96.3 69.3 -93.0 -41.2 15.6 -5.9 17.8 44 47 A I H X S+ 0 0 13 -4,-2.3 4,-2.6 1,-0.2 5,-0.2 0.896 102.6 43.3 -46.3 -55.0 17.9 -5.1 20.7 45 48 A P H > S+ 0 0 74 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.878 115.0 49.9 -63.9 -35.7 20.6 -7.7 19.8 46 49 A A H > S+ 0 0 30 -4,-0.4 4,-1.4 2,-0.2 -2,-0.2 0.950 113.2 45.3 -67.1 -48.1 20.5 -6.9 16.1 47 50 A L H <>S+ 0 0 2 -4,-2.9 5,-2.1 1,-0.2 3,-0.3 0.904 115.2 47.2 -62.2 -42.1 20.8 -3.1 16.7 48 51 A A H ><5S+ 0 0 6 -4,-2.6 3,-1.5 -5,-0.3 -1,-0.2 0.898 109.7 55.0 -66.4 -37.9 23.6 -3.6 19.2 49 52 A G H 3<5S+ 0 0 69 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.754 103.1 54.9 -65.9 -26.1 25.3 -6.0 16.8 50 53 A A T 3<5S- 0 0 54 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.369 129.5 -93.8 -88.1 2.7 25.3 -3.4 14.0 51 54 A G T < 5S+ 0 0 26 -3,-1.5 2,-0.3 1,-0.3 -3,-0.2 0.669 80.9 131.5 96.6 19.1 27.1 -0.9 16.3 52 55 A Y < - 0 0 24 -5,-2.1 2,-0.9 -28,-0.2 -1,-0.3 -0.750 59.3-125.9-105.3 151.2 24.2 1.1 17.9 53 56 A R E - c 0 26A 60 -28,-2.1 -26,-3.4 -2,-0.3 2,-0.5 -0.855 38.4-162.5 -91.0 106.7 23.6 1.9 21.5 54 57 A V E -Bc 17 27A 0 -37,-2.4 -37,-1.7 -2,-0.9 2,-0.5 -0.822 14.2-174.0-101.4 132.9 20.1 0.6 21.9 55 58 A V E -Bc 16 28A 0 -28,-3.1 -26,-3.1 -2,-0.5 2,-0.7 -0.961 3.0-173.0-128.0 113.1 17.8 1.6 24.7 56 59 A A E -Bc 15 29A 0 -41,-2.5 -41,-2.1 -2,-0.5 -26,-0.1 -0.911 18.4-168.1-107.6 110.4 14.3 -0.1 25.1 57 60 A I E -B 14 0A 2 -28,-1.4 2,-0.6 -2,-0.7 -26,-0.5 -0.421 28.1-126.3 -97.6 170.3 12.3 1.6 27.8 58 61 A D - 0 0 0 -45,-2.0 -45,-0.4 -2,-0.1 3,-0.1 -0.975 39.4-130.5-106.7 120.0 9.1 0.9 29.8 59 62 A Q > - 0 0 5 -2,-0.6 3,-2.1 1,-0.2 6,-0.3 -0.250 41.9 -71.6 -67.1 167.0 7.0 4.1 29.3 60 63 A R T 3 S+ 0 0 12 1,-0.3 7,-0.2 13,-0.1 -1,-0.2 -0.302 125.8 29.2 -59.2 143.0 5.6 5.7 32.4 61 64 A G T 3 S+ 0 0 1 5,-2.3 197,-0.4 1,-0.3 -1,-0.3 0.187 108.7 94.4 90.8 -16.1 2.8 3.6 33.9 62 65 A Y S X S- 0 0 1 -3,-2.1 3,-2.1 4,-0.2 -1,-0.3 -0.686 88.6 -32.5-109.2 161.1 4.4 0.4 32.5 63 66 A G T 3 S- 0 0 16 1,-0.3 -27,-0.0 -28,-0.2 -3,-0.0 0.006 122.5 -17.4 37.5-111.7 6.7 -2.3 33.8 64 67 A R T 3 S+ 0 0 125 -51,-0.1 -1,-0.3 2,-0.0 2,-0.1 0.352 108.2 108.3-106.2 4.8 9.2 -0.8 36.4 65 68 A S S < S- 0 0 0 -3,-2.1 -53,-0.2 -6,-0.3 -4,-0.2 -0.439 85.5 -65.7 -82.4 158.1 8.8 2.8 35.4 66 69 A S - 0 0 15 -55,-2.1 -5,-2.3 -2,-0.1 2,-0.7 -0.056 45.3-145.5 -44.0 133.5 7.0 5.4 37.6 67 70 A K - 0 0 87 -7,-0.2 2,-0.3 -6,-0.1 -1,-0.1 -0.885 18.5-173.7-109.4 101.1 3.3 4.8 38.1 68 71 A Y - 0 0 78 -2,-0.7 0, 0.0 1,-0.1 0, 0.0 -0.686 15.3-162.4 -93.0 147.6 1.3 8.1 38.3 69 72 A R + 0 0 228 -2,-0.3 -1,-0.1 192,-0.0 192,-0.0 0.876 62.3 90.1 -94.1 -45.2 -2.4 8.1 39.1 70 73 A V S > S- 0 0 72 1,-0.1 3,-1.3 2,-0.1 4,-0.2 -0.224 77.0-129.2 -56.4 139.6 -3.4 11.7 38.0 71 74 A Q G > S+ 0 0 58 1,-0.2 3,-1.7 2,-0.2 -1,-0.1 0.794 100.9 67.1 -59.3 -35.3 -4.6 11.9 34.4 72 75 A K G > S+ 0 0 135 1,-0.3 3,-1.0 2,-0.1 -1,-0.2 0.692 87.3 68.9 -64.3 -17.9 -2.3 14.9 33.5 73 76 A A G < S+ 0 0 6 -3,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.667 97.0 54.4 -74.5 -14.2 0.8 12.7 33.9 74 77 A Y G < S+ 0 0 1 -3,-1.7 -1,-0.2 -4,-0.2 191,-0.2 0.056 77.2 123.6-109.1 25.4 -0.2 10.7 30.8 75 78 A R S X> S- 0 0 68 -3,-1.0 4,-1.8 1,-0.1 3,-0.8 -0.511 74.6-105.3 -83.1 155.3 -0.5 13.6 28.3 76 79 A I H 3> S+ 0 0 0 1,-0.2 4,-2.5 189,-0.2 5,-0.2 0.860 115.8 52.0 -49.4 -48.8 1.5 13.4 25.1 77 80 A K H 3> S+ 0 0 82 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.819 107.9 52.8 -62.0 -31.2 4.1 16.1 26.0 78 81 A E H <> S+ 0 0 88 -3,-0.8 4,-1.8 2,-0.2 -1,-0.2 0.929 109.4 48.9 -67.8 -45.0 4.9 14.4 29.3 79 82 A L H X S+ 0 0 2 -4,-1.8 4,-1.3 1,-0.2 3,-0.2 0.930 112.9 48.1 -58.9 -44.9 5.5 11.1 27.4 80 83 A V H X S+ 0 0 2 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.877 105.6 58.9 -64.3 -36.2 7.7 13.0 25.0 81 84 A G H X S+ 0 0 31 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.863 100.0 56.9 -61.1 -36.8 9.5 14.6 27.9 82 85 A D H X S+ 0 0 19 -4,-1.8 4,-1.7 -3,-0.2 -1,-0.2 0.911 105.0 51.3 -61.2 -41.2 10.5 11.2 29.2 83 86 A V H >X S+ 0 0 1 -4,-1.3 4,-1.8 2,-0.2 3,-0.5 0.952 109.0 50.4 -61.2 -47.3 12.2 10.5 25.9 84 87 A V H 3X S+ 0 0 16 -4,-2.0 4,-2.1 1,-0.3 -1,-0.2 0.916 108.4 53.8 -55.2 -43.0 14.1 13.7 26.1 85 88 A G H 3X S+ 0 0 13 -4,-2.5 4,-1.4 1,-0.2 -1,-0.3 0.823 103.2 57.2 -61.3 -32.4 15.1 12.7 29.6 86 89 A V H S+ 0 0 0 -4,-1.8 5,-3.1 1,-0.2 4,-0.4 0.887 110.0 54.3 -62.9 -40.8 18.8 11.2 25.9 88 91 A D H <5S+ 0 0 51 -4,-2.1 -1,-0.2 3,-0.2 -2,-0.2 0.807 104.2 55.8 -64.5 -29.6 20.0 13.5 28.6 89 92 A S H <5S+ 0 0 49 -4,-1.4 -1,-0.2 -3,-0.2 -2,-0.2 0.849 114.1 38.7 -70.7 -34.5 20.9 10.5 30.8 90 93 A Y T <5S- 0 0 61 -4,-1.3 -1,-0.2 -3,-0.2 -2,-0.2 0.432 112.9-125.0 -91.2 -0.2 23.1 9.1 28.1 91 94 A G T 5 + 0 0 66 -4,-0.4 2,-0.4 1,-0.2 -3,-0.2 0.833 54.5 160.0 60.4 32.7 24.2 12.7 27.4 92 95 A A < - 0 0 9 -5,-3.1 -1,-0.2 1,-0.2 -2,-0.1 -0.748 35.5-161.7 -92.5 130.3 23.2 12.3 23.8 93 96 A E S S+ 0 0 132 -2,-0.4 2,-0.3 1,-0.1 -1,-0.2 0.941 80.5 15.2 -70.8 -48.4 22.5 15.4 21.6 94 97 A Q - 0 0 74 24,-0.1 -68,-0.4 -7,-0.1 2,-0.3 -0.848 69.6-176.1-125.3 160.6 20.6 13.5 19.0 95 98 A A E - e 0 118A 1 22,-1.4 24,-1.3 -2,-0.3 25,-0.9 -0.995 30.3-118.2-156.7 151.7 19.0 10.1 18.8 96 99 A F E -de 27 120A 3 -70,-2.8 -68,-2.9 -2,-0.3 2,-0.5 -0.797 36.5-160.5 -87.8 131.9 17.2 7.7 16.5 97 100 A V E -de 28 121A 1 23,-2.1 25,-2.3 -2,-0.5 2,-0.4 -0.967 11.5-174.9-125.5 120.9 13.8 7.1 17.9 98 101 A V E -de 29 122A 0 -70,-2.8 -68,-3.3 -2,-0.5 2,-0.4 -0.938 6.5-178.3-113.9 130.4 11.6 4.1 17.0 99 102 A G E -de 30 123A 0 23,-2.7 25,-2.9 -2,-0.4 2,-0.4 -0.991 11.2-162.0-135.7 133.8 8.0 3.8 18.3 100 103 A H E > - e 0 124A 0 -70,-2.5 3,-2.1 -2,-0.4 25,-0.2 -0.923 64.2 -30.8-113.7 136.9 5.4 1.1 17.8 101 104 A D T > S+ 0 0 18 23,-2.2 3,-1.6 -2,-0.4 25,-0.1 -0.384 141.0 3.8 59.9-126.2 1.7 1.6 18.5 102 105 A W T 3> S+ 0 0 14 1,-0.3 4,-1.1 2,-0.2 -1,-0.3 0.811 130.4 64.2 -59.3 -27.3 1.3 4.1 21.3 103 106 A G H <> S+ 0 0 0 -3,-2.1 4,-2.1 1,-0.2 -1,-0.3 0.826 93.7 65.8 -64.1 -27.9 5.1 4.5 21.2 104 107 A A H <> S+ 0 0 0 -3,-1.6 4,-3.7 20,-0.2 5,-0.3 0.959 97.5 46.3 -60.7 -58.4 4.7 5.9 17.7 105 108 A P H > S+ 0 0 6 0, 0.0 4,-3.2 0, 0.0 5,-0.2 0.888 115.0 51.8 -53.8 -34.5 2.8 9.1 18.4 106 109 A V H X S+ 0 0 0 -4,-1.1 4,-1.6 2,-0.2 -2,-0.2 0.884 112.4 43.6 -68.2 -39.8 5.4 9.7 21.1 107 110 A A H X S+ 0 0 0 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.918 116.7 47.7 -71.4 -42.9 8.2 9.1 18.7 108 111 A W H X S+ 0 0 2 -4,-3.7 4,-2.9 1,-0.2 -2,-0.2 0.963 113.4 46.1 -60.7 -53.9 6.5 11.3 16.0 109 112 A T H X S+ 0 0 5 -4,-3.2 4,-3.2 -5,-0.3 5,-0.3 0.847 108.2 58.0 -59.6 -34.3 5.8 14.1 18.4 110 113 A F H X S+ 0 0 0 -4,-1.6 4,-2.3 -5,-0.2 -1,-0.2 0.935 111.4 41.7 -60.3 -45.2 9.3 13.9 19.8 111 114 A A H < S+ 0 0 0 -4,-1.9 171,-0.3 2,-0.2 -2,-0.2 0.899 114.2 53.7 -67.6 -40.1 10.6 14.5 16.2 112 115 A W H < S+ 0 0 17 -4,-2.9 -2,-0.2 1,-0.2 170,-0.2 0.961 120.9 28.4 -58.6 -55.3 7.9 17.2 15.7 113 116 A L H < S+ 0 0 43 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.686 129.9 37.1 -81.8 -23.0 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-2.3 11.3 17.6 134 137 A I S S- 0 0 28 -2,-2.5 8,-0.2 -5,-0.2 2,-0.2 -0.991 87.8-130.1-128.0 124.8 -3.7 8.3 15.7 135 138 A G - 0 0 1 -8,-0.5 165,-0.1 -2,-0.4 6,-0.1 -0.470 25.9-165.9 -73.5 142.9 -5.0 8.7 12.1 136 139 A L - 0 0 15 3,-2.0 6,-0.1 -2,-0.2 163,-0.1 -0.872 38.3 -97.5-127.9 160.7 -8.4 7.3 11.3 137 140 A P S S+ 0 0 14 0, 0.0 72,-0.1 0, 0.0 162,-0.0 0.773 127.0 28.9 -44.9 -31.9 -10.4 6.6 8.1 138 141 A G S S+ 0 0 31 1,-0.2 -3,-0.0 15,-0.1 71,-0.0 0.860 128.9 35.7 -98.1 -44.6 -12.1 9.9 8.5 139 142 A S > + 0 0 10 1,-0.1 -3,-2.0 -5,-0.1 3,-0.6 -0.821 56.4 169.2-116.2 92.1 -9.5 12.0 10.3 140 143 A P T 3 S+ 0 0 7 0, 0.0 -1,-0.1 0, 0.0 -8,-0.1 0.800 87.2 23.5 -70.3 -29.5 -5.9 11.3 9.2 141 144 A F T 3 S- 0 0 26 -9,-0.1 -10,-0.4 -6,-0.1 -6,-0.1 -0.052 123.1 -86.2-128.8 34.1 -4.5 14.3 11.0 142 145 A G < + 0 0 3 -3,-0.6 -3,-0.1 -11,-0.2 -7,-0.1 0.916 67.3 158.6 65.5 45.9 -7.0 15.1 13.7 143 146 A E + 0 0 101 2,-0.1 2,-0.2 3,-0.0 -4,-0.1 0.958 66.7 33.4 -65.4 -51.5 -9.3 17.2 11.6 144 147 A R S S- 0 0 109 1,-0.1 -5,-0.0 2,-0.1 -6,-0.0 -0.679 109.4 -78.0-102.8 162.1 -12.3 16.7 13.9 145 148 A R > - 0 0 110 -2,-0.2 4,-2.4 1,-0.1 5,-0.3 -0.334 42.2-129.0 -58.5 131.1 -12.2 16.3 17.7 146 149 A P H > S+ 0 0 15 0, 0.0 4,-1.3 0, 0.0 -1,-0.1 0.907 103.8 40.9 -46.1 -61.0 -11.2 12.7 18.6 147 150 A S H > S+ 0 0 30 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.840 113.7 55.4 -62.5 -34.9 -14.0 11.8 21.0 148 151 A D H > S+ 0 0 71 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.955 107.1 47.5 -62.8 -52.6 -16.6 13.5 18.8 149 152 A Y H < S+ 0 0 38 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.775 112.4 54.3 -60.6 -26.9 -15.8 11.5 15.7 150 153 A H H < S+ 0 0 9 -4,-1.3 -2,-0.2 -5,-0.3 -1,-0.2 0.995 110.5 41.0 -68.6 -69.0 -15.8 8.4 17.8 151 154 A L H < S+ 0 0 112 -4,-2.3 4,-0.4 3,-0.1 2,-0.2 0.934 123.4 35.2 -41.4 -80.3 -19.3 8.8 19.3 152 155 A E S < S+ 0 0 139 -4,-1.3 0, 0.0 1,-0.2 0, 0.0 -0.593 121.5 31.1 -79.5 141.5 -21.1 9.9 16.1 153 156 A L S S+ 0 0 80 -2,-0.2 -1,-0.2 -15,-0.0 -15,-0.1 0.974 112.6 60.6 74.4 59.3 -19.8 8.3 13.0 154 157 A A S S- 0 0 23 -3,-0.2 -2,-0.1 56,-0.0 -3,-0.1 0.247 110.4 -7.9 176.5 -14.8 -18.7 5.0 14.4 155 158 A G - 0 0 12 -4,-0.4 5,-0.1 3,-0.1 64,-0.0 -0.550 42.8-141.4 163.2 130.3 -21.8 3.3 15.8 156 159 A P S S- 0 0 113 0, 0.0 -1,-0.1 0, 0.0 64,-0.0 0.999 107.1 -3.3 -62.6 -71.6 -25.5 3.9 16.6 157 160 A G S S+ 0 0 43 2,-0.0 64,-1.9 64,-0.0 2,-0.2 -0.057 120.8 96.6-113.4 28.5 -25.9 2.0 19.9 158 161 A R E -H 220 0B 90 62,-0.3 2,-0.4 -7,-0.1 62,-0.3 -0.534 64.4-131.7-108.6 177.3 -22.3 0.7 19.8 159 162 A V E -H 219 0B 42 60,-4.2 60,-1.9 -2,-0.2 2,-0.3 -0.994 14.7-120.9-140.4 134.2 -19.1 2.1 21.5 160 163 A W E >> -H 218 0B 12 -2,-0.4 4,-1.5 58,-0.2 3,-1.4 -0.542 26.0-131.7 -70.4 125.8 -15.6 2.8 20.2 161 164 A Y H 3> S+ 0 0 19 56,-1.7 4,-3.1 -2,-0.3 5,-0.2 0.816 103.8 60.5 -48.6 -37.8 -13.1 0.7 22.2 162 165 A Q H 3> S+ 0 0 5 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.860 104.1 48.3 -61.6 -36.2 -10.9 3.7 22.9 163 166 A D H <> S+ 0 0 36 -3,-1.4 4,-1.1 2,-0.2 -1,-0.2 0.854 112.5 49.9 -71.1 -34.4 -13.6 5.6 24.7 164 167 A Y H >X S+ 0 0 36 -4,-1.5 4,-1.0 2,-0.2 3,-0.7 0.939 109.3 51.2 -66.7 -47.9 -14.3 2.5 26.7 165 168 A F H >< S+ 0 0 2 -4,-3.1 3,-0.8 1,-0.2 -2,-0.2 0.905 106.6 56.5 -54.4 -43.9 -10.5 2.2 27.5 166 169 A A H 3< S+ 0 0 20 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.791 95.7 62.9 -61.4 -31.3 -10.7 5.9 28.6 167 170 A V H << S- 0 0 98 -4,-1.1 -1,-0.2 -3,-0.7 -2,-0.2 0.856 85.9-159.2 -64.3 -33.6 -13.4 5.3 31.2 168 171 A Q << + 0 0 43 -4,-1.0 -3,-0.1 -3,-0.8 -2,-0.1 0.860 63.9 81.6 57.5 41.0 -11.0 2.9 33.1 169 172 A D S > S+ 0 0 106 -5,-0.4 4,-2.4 3,-0.0 5,-0.2 0.430 92.7 27.9-132.1 -78.5 -13.7 1.1 35.0 170 173 A G H > S+ 0 0 27 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.932 120.6 57.8 -56.2 -45.8 -15.5 -1.7 33.1 171 174 A I H > S+ 0 0 0 -7,-0.4 4,-1.7 1,-0.2 -1,-0.2 0.907 109.4 41.7 -52.0 -50.4 -12.4 -2.3 31.0 172 175 A I H > S+ 0 0 43 1,-0.2 4,-3.1 2,-0.2 -1,-0.2 0.912 112.9 55.2 -66.2 -40.7 -10.1 -3.0 34.0 173 176 A T H X S+ 0 0 74 -4,-2.4 4,-1.1 1,-0.2 -2,-0.2 0.926 108.2 47.9 -57.6 -45.4 -12.8 -5.1 35.6 174 177 A E H < S+ 0 0 3 -4,-2.9 4,-0.4 -5,-0.2 -1,-0.2 0.866 113.6 48.8 -66.5 -32.9 -13.1 -7.3 32.6 175 178 A I H >< S+ 0 0 0 -4,-1.7 3,-1.9 -5,-0.2 7,-0.3 0.965 105.7 55.0 -69.1 -53.2 -9.3 -7.6 32.4 176 179 A E H 3< S+ 0 0 101 -4,-3.1 3,-0.5 1,-0.3 -1,-0.2 0.699 91.8 72.1 -55.5 -23.4 -8.7 -8.5 36.1 177 180 A E T 3< S- 0 0 115 -4,-1.1 -1,-0.3 1,-0.3 -2,-0.2 0.836 130.0 -7.8 -62.3 -30.7 -11.2 -11.5 35.9 178 181 A D S <> S+ 0 0 83 -3,-1.9 4,-2.0 -4,-0.4 -1,-0.3 -0.479 71.2 174.1-168.2 84.3 -8.5 -13.2 33.9 179 182 A L H > S+ 0 0 10 -3,-0.5 4,-2.5 2,-0.2 5,-0.2 0.890 80.9 52.1 -65.7 -44.2 -5.6 -11.1 32.8 180 183 A R H > S+ 0 0 80 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.946 113.6 45.6 -59.9 -45.6 -3.4 -13.8 31.2 181 184 A G H > S+ 0 0 11 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.868 109.5 55.3 -64.5 -37.0 -6.4 -14.9 29.1 182 185 A W H X S+ 0 0 0 -4,-2.0 4,-2.8 -7,-0.3 5,-0.3 0.947 108.3 47.4 -62.4 -48.1 -7.2 -11.3 28.2 183 186 A L H X S+ 0 0 3 -4,-2.5 4,-2.9 1,-0.2 5,-0.3 0.941 112.8 49.5 -58.0 -46.7 -3.7 -10.7 26.9 184 187 A L H X S+ 0 0 28 -4,-2.2 4,-2.6 -5,-0.2 5,-0.3 0.949 113.6 47.4 -56.7 -50.0 -3.8 -13.9 24.9 185 188 A G H X S+ 0 0 0 -4,-3.0 4,-2.9 2,-0.2 45,-0.4 0.978 115.3 41.7 -54.5 -65.5 -7.2 -12.9 23.5 186 189 A L H X S+ 0 0 13 -4,-2.8 4,-1.8 1,-0.2 5,-0.2 0.906 115.6 51.8 -49.4 -49.7 -6.3 -9.3 22.5 187 190 A T H < S+ 0 0 11 -4,-2.9 4,-0.4 -5,-0.3 -1,-0.2 0.913 115.3 39.6 -55.7 -48.9 -2.9 -10.4 21.1 188 191 A Y H >< S+ 0 0 35 -4,-2.6 3,-1.1 -5,-0.3 6,-0.4 0.930 109.6 59.5 -69.3 -47.5 -4.3 -13.1 18.9 189 192 A T H 3< S+ 0 0 6 -4,-2.9 9,-0.2 41,-0.4 -2,-0.2 0.922 115.2 32.7 -47.6 -57.5 -7.4 -11.3 17.7 190 193 A V T 3< S+ 0 0 10 -4,-1.8 134,-2.0 -5,-0.2 -1,-0.3 0.451 100.7 106.3 -83.8 1.4 -5.5 -8.4 16.1 191 194 A S S <> S- 0 0 0 -3,-1.1 4,-2.6 -4,-0.4 5,-0.2 -0.189 86.1-103.3 -72.0 171.3 -2.6 -10.6 15.1 192 195 A G H > S+ 0 0 0 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.968 121.1 42.1 -60.8 -56.8 -2.0 -11.6 11.5 193 196 A E H > S+ 0 0 67 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.766 116.1 52.3 -63.3 -24.6 -3.2 -15.2 11.8 194 197 A G H > S+ 0 0 3 -6,-0.4 4,-2.4 2,-0.2 -1,-0.2 0.907 112.9 42.8 -77.4 -42.1 -6.1 -13.9 13.9 195 198 A M H X S+ 0 0 34 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.881 113.8 50.2 -69.9 -41.9 -7.1 -11.3 11.3 196 199 A M H X S+ 0 0 69 -4,-3.0 4,-2.3 -5,-0.2 -1,-0.2 0.833 110.9 52.4 -66.7 -31.0 -6.7 -13.6 8.4 197 200 A A H X S+ 0 0 24 -4,-1.0 4,-1.2 -5,-0.3 -2,-0.2 0.990 107.3 48.9 -66.4 -59.3 -8.8 -16.1 10.2 198 201 A A H < S+ 0 0 58 -4,-2.4 3,-0.3 1,-0.3 -2,-0.2 0.837 115.7 46.5 -47.3 -38.0 -11.7 -13.7 10.9 199 202 A T H < S+ 0 0 92 -4,-1.9 3,-0.3 1,-0.2 -1,-0.3 0.878 98.5 66.1 -73.8 -40.2 -11.5 -12.8 7.2 200 203 A K H < S+ 0 0 169 -4,-2.3 2,-1.0 1,-0.3 3,-0.4 0.777 89.1 72.2 -51.6 -24.2 -11.4 -16.4 6.1 201 204 A A < + 0 0 70 -4,-1.2 -1,-0.3 -3,-0.3 -3,-0.1 -0.273 63.6 152.3 -85.9 46.4 -14.9 -16.3 7.5 202 205 A A 0 0 90 -2,-1.0 -1,-0.2 -3,-0.3 -2,-0.1 0.912 360.0 360.0 -41.5 -55.0 -15.8 -14.3 4.5 203 206 A V 0 0 185 -3,-0.4 -1,-0.2 -4,-0.0 0, 0.0 -0.950 360.0 360.0-170.0 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