==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 24-OCT-11 4A5B . COMPND 2 MOLECULE: NUCLEOSIDE-TRIPHOSPHATASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: TOXOPLASMA GONDII; . AUTHOR U.KRUG,M.ZEBISCH,N.STRAETER . 1185 3 12 11 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 51714.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 828 69.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 55 4.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 137 11.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 7 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 9 0.8 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 . 82 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 126 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 361 30.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 24 2.0 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 5 4 2 1 4 2 2 2 8 1 1 2 2 1 1 0 0 0 0 0 0 0 2 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 3 2 3 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 . 3 5 8 4 2 0 1 2 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 6 0 4 0 3 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 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 35 A D 0 0 183 0, 0.0 3,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -62.4 -11.1 -33.7 -110.6 2 36 A A + 0 0 87 1,-0.2 3,-0.4 2,-0.1 0, 0.0 0.323 360.0 75.3 -93.1 1.6 -10.3 -30.1 -109.5 3 37 A D S > S+ 0 0 137 1,-0.2 3,-0.6 2,-0.1 -1,-0.2 0.523 74.0 77.1 -88.6 -12.0 -13.0 -30.6 -106.9 4 38 A T T > + 0 0 66 -3,-0.5 3,-1.0 1,-0.2 4,-0.3 0.116 62.5 99.7 -85.6 20.1 -10.6 -32.8 -104.8 5 39 A E T 3> + 0 0 106 -3,-0.4 4,-1.5 1,-0.2 -1,-0.2 0.322 60.4 84.4 -82.2 0.5 -9.0 -29.4 -103.8 6 40 A K H <> S+ 0 0 160 -3,-0.6 4,-0.8 2,-0.2 -1,-0.2 0.737 80.2 61.4 -73.6 -25.7 -11.1 -30.2 -100.7 7 41 A R H <> S+ 0 0 174 -3,-1.0 4,-2.0 2,-0.2 3,-0.2 0.876 102.3 49.9 -66.4 -40.9 -8.1 -32.2 -99.6 8 42 A I H > S+ 0 0 103 -4,-0.3 4,-1.9 1,-0.2 -2,-0.2 0.920 112.1 47.3 -61.4 -48.3 -6.0 -29.0 -99.6 9 43 A N H X S+ 0 0 76 -4,-1.5 4,-0.8 1,-0.2 -1,-0.2 0.622 109.5 55.4 -69.9 -17.4 -8.8 -27.3 -97.5 10 44 A V H X S+ 0 0 103 -4,-0.8 4,-1.9 -3,-0.2 -2,-0.2 0.898 108.8 46.1 -79.0 -45.9 -8.7 -30.3 -95.2 11 45 A G H X S+ 0 0 36 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.857 112.9 49.0 -63.8 -40.5 -5.0 -30.0 -94.5 12 46 A K H X S+ 0 0 131 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.838 112.1 50.9 -65.9 -36.2 -5.2 -26.3 -93.9 13 47 A T H X S+ 0 0 71 -4,-0.8 4,-2.4 2,-0.2 -2,-0.2 0.823 105.4 53.8 -73.5 -32.8 -8.1 -27.0 -91.5 14 48 A H H X S+ 0 0 116 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.911 114.2 43.4 -67.3 -40.0 -6.1 -29.6 -89.6 15 49 A L H X S+ 0 0 93 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.903 113.3 50.9 -67.6 -46.7 -3.4 -26.9 -89.1 16 50 A Q H X S+ 0 0 107 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.857 111.6 48.5 -59.8 -42.4 -6.1 -24.2 -88.3 17 51 A T H X S+ 0 0 70 -4,-2.4 4,-2.5 2,-0.2 3,-0.3 0.956 110.0 50.9 -60.5 -54.5 -7.7 -26.5 -85.6 18 52 A L H X S+ 0 0 84 -4,-2.1 4,-1.1 1,-0.2 -2,-0.2 0.833 112.8 46.8 -56.0 -37.5 -4.3 -27.4 -84.0 19 53 A R H < S+ 0 0 130 -4,-2.0 4,-0.4 2,-0.2 -1,-0.2 0.829 109.7 51.0 -75.4 -34.9 -3.5 -23.6 -83.8 20 54 A N H >X S+ 0 0 69 -4,-1.8 4,-2.3 -3,-0.3 3,-1.4 0.938 109.7 53.6 -64.2 -44.2 -6.9 -22.6 -82.3 21 55 A L H 3< S+ 0 0 75 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.812 109.7 46.4 -56.8 -38.3 -6.4 -25.3 -79.7 22 56 A E T 3< S+ 0 0 146 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.476 118.4 42.1 -88.3 -0.4 -3.0 -23.9 -78.8 23 57 A T T <4 S+ 0 0 96 -3,-1.4 -2,-0.2 -4,-0.4 -1,-0.2 0.598 102.8 80.1-114.2 -19.8 -4.4 -20.3 -78.6 24 58 A R S < S- 0 0 142 -4,-2.3 2,-0.2 1,-0.1 29,-0.0 -0.203 83.6 -94.1 -85.4 174.7 -7.7 -20.9 -76.8 25 59 A a - 0 0 41 29,-0.2 2,-0.4 -2,-0.0 29,-0.3 -0.588 34.5-142.6 -84.6 149.9 -8.7 -21.5 -73.1 26 60 A H E -A 53 0A 82 27,-2.9 27,-2.4 -2,-0.2 2,-0.3 -0.969 6.7-142.8-122.6 128.6 -9.1 -25.1 -71.7 27 61 A D E +A 52 0A 73 -2,-0.4 2,-0.3 25,-0.2 25,-0.2 -0.671 21.4 174.8 -92.3 140.5 -11.7 -26.2 -69.3 28 62 A S E -A 51 0A 23 23,-2.5 23,-3.1 -2,-0.3 2,-0.4 -1.000 29.8-116.4-145.2 140.6 -11.0 -28.8 -66.5 29 63 A L E -A 50 0A 36 -2,-0.3 2,-0.4 21,-0.2 116,-0.3 -0.625 30.9-174.4 -82.1 131.6 -13.0 -30.2 -63.6 30 64 A Q E -A 49 0A 0 19,-2.9 19,-2.4 -2,-0.4 2,-0.4 -0.953 15.3-141.4-124.0 145.1 -11.8 -29.5 -60.0 31 65 A A E -A 48 0A 0 115,-0.4 2,-0.4 -2,-0.4 17,-0.2 -0.853 14.8-164.9-105.0 140.3 -13.1 -30.9 -56.7 32 66 A L E -A 47 0A 2 15,-1.9 15,-3.1 -2,-0.4 2,-0.5 -0.972 5.2-151.9-124.5 141.6 -13.3 -28.7 -53.6 33 67 A V E -Ab 46 149A 1 115,-2.7 117,-2.9 -2,-0.4 2,-0.5 -0.966 10.5-176.0-120.6 122.9 -13.8 -29.9 -50.0 34 68 A V E -Ab 45 150A 0 11,-2.4 11,-1.2 -2,-0.5 2,-0.8 -0.976 14.1-156.0-110.4 115.0 -15.5 -27.8 -47.2 35 69 A I E -Ab 44 151A 7 115,-2.1 117,-1.9 -2,-0.5 2,-1.1 -0.867 8.2-148.8 -98.8 109.6 -15.3 -29.7 -43.8 36 70 A D E -Ab 43 152A 26 7,-2.7 7,-2.1 -2,-0.8 2,-1.5 -0.689 9.8-168.1 -78.3 96.4 -18.2 -28.4 -41.6 37 71 A A E +Ab 42 153A 3 115,-2.2 117,-1.7 -2,-1.1 120,-0.3 -0.676 28.6 171.9 -89.0 82.1 -16.8 -28.7 -38.0 38 72 A G - 0 0 15 3,-2.1 40,-0.5 -2,-1.5 115,-0.0 -0.180 47.4 -97.9 -87.8 177.9 -20.2 -28.0 -36.3 39 73 A S S S+ 0 0 46 1,-0.2 40,-0.1 38,-0.1 38,-0.1 0.834 121.9 27.7 -66.0 -39.4 -21.7 -28.2 -32.8 40 74 A S S S- 0 0 77 1,-0.2 37,-0.3 36,-0.1 2,-0.3 0.570 131.0 -3.1-100.6 -14.8 -23.2 -31.7 -33.1 41 75 A S - 0 0 9 35,-0.2 -3,-2.1 -5,-0.1 2,-0.5 -0.988 56.3-116.1-168.8 163.5 -20.8 -33.2 -35.8 42 76 A T E +AC 37 75A 0 33,-1.4 33,-2.4 -2,-0.3 2,-0.4 -0.963 43.6 179.9-109.5 119.8 -17.9 -32.9 -38.2 43 77 A R E -A 36 0A 63 -7,-2.1 -7,-2.7 -2,-0.5 2,-0.2 -0.986 23.6-131.1-131.7 136.3 -19.2 -33.4 -41.7 44 78 A T E -A 35 0A 0 29,-0.5 28,-3.3 -2,-0.4 2,-0.4 -0.619 14.3-164.9 -85.9 145.3 -17.5 -33.4 -45.2 45 79 A N E -AD 34 71A 3 -11,-1.2 -11,-2.4 -2,-0.2 2,-0.5 -0.973 6.9-160.5-131.9 110.1 -19.0 -31.4 -48.2 46 80 A V E -AD 33 70A 0 24,-2.4 23,-3.0 -2,-0.4 24,-1.3 -0.848 12.3-177.3 -98.7 124.2 -17.7 -32.3 -51.6 47 81 A F E -AD 32 68A 4 -15,-3.1 -15,-1.9 -2,-0.5 2,-0.3 -0.801 15.6-148.2-116.7 157.8 -18.1 -29.8 -54.4 48 82 A L E +AD 31 67A 10 19,-2.0 19,-2.0 -2,-0.3 2,-0.3 -0.945 19.9 177.3-125.2 141.3 -17.3 -29.8 -58.2 49 83 A A E -A 30 0A 1 -19,-2.4 -19,-2.9 -2,-0.3 2,-0.5 -0.973 29.3-118.9-144.0 153.9 -16.3 -26.7 -60.1 50 84 A K E -A 29 0A 56 12,-0.5 12,-2.6 -2,-0.3 2,-0.3 -0.850 28.8-164.3 -94.9 128.0 -15.2 -25.9 -63.7 51 85 A T E -AE 28 61A 0 -23,-3.1 -23,-2.5 -2,-0.5 2,-0.4 -0.838 2.1-156.7-109.2 154.6 -11.7 -24.4 -64.0 52 86 A R E -AE 27 60A 104 8,-2.2 8,-2.2 -2,-0.3 2,-0.5 -1.000 3.6-161.6-133.2 129.1 -10.4 -22.6 -67.1 53 87 A S E -AE 26 59A 32 -27,-2.4 -27,-2.9 -2,-0.4 6,-0.2 -0.964 13.0-173.0-111.0 124.3 -6.7 -22.1 -68.2 54 88 A a E >> - E 0 58A 20 4,-2.4 3,-2.2 -2,-0.5 4,-1.3 -0.951 35.4 -99.3-115.2 138.9 -6.1 -19.3 -70.7 55 89 A P T 34 S+ 0 0 60 0, 0.0 -30,-0.0 0, 0.0 -32,-0.0 -0.357 110.6 2.8 -57.3 132.5 -2.8 -18.6 -72.4 56 90 A N T 34 S+ 0 0 179 1,-0.1 -3,-0.0 -3,-0.0 0, 0.0 0.544 124.6 74.9 62.2 15.5 -1.1 -15.7 -70.5 57 91 A K T <4 S- 0 0 164 -3,-2.2 2,-0.1 1,-0.2 -1,-0.1 0.519 84.7-144.7-124.9 -16.3 -4.0 -15.5 -68.0 58 92 A G E < -E 54 0A 48 -4,-1.3 -4,-2.4 2,-0.0 2,-0.4 -0.485 40.1 -42.0 82.2-154.2 -3.4 -18.6 -65.7 59 93 A R E +E 53 0A 65 -6,-0.2 2,-0.3 -2,-0.1 -6,-0.2 -0.922 55.6 173.5-119.4 138.2 -6.2 -20.7 -64.2 60 94 A S E -E 52 0A 48 -8,-2.2 -8,-2.2 -2,-0.4 2,-0.3 -0.978 29.1-116.9-143.3 156.0 -9.5 -19.7 -62.6 61 95 A I E -E 51 0A 10 512,-0.4 -10,-0.2 -2,-0.3 3,-0.1 -0.681 24.2-129.3 -89.8 139.7 -12.8 -21.2 -61.2 62 96 A D > - 0 0 53 -12,-2.6 3,-1.2 -2,-0.3 -12,-0.5 -0.849 20.0-153.3 -85.5 113.5 -16.1 -20.4 -62.9 63 97 A P G > S+ 0 0 22 0, 0.0 3,-0.9 0, 0.0 -1,-0.1 0.809 90.1 54.8 -63.8 -30.1 -18.2 -19.2 -59.8 64 98 A D G 3 S+ 0 0 54 1,-0.2 -2,-0.0 -3,-0.1 -15,-0.0 0.547 98.1 65.0 -78.4 -9.0 -21.6 -20.2 -61.3 65 99 A S G < S+ 0 0 28 -3,-1.2 -1,-0.2 -15,-0.2 2,-0.2 0.511 71.8 120.0 -88.7 -11.8 -20.3 -23.8 -61.9 66 100 A I < + 0 0 2 -3,-0.9 2,-0.3 -4,-0.3 -17,-0.2 -0.396 39.0 168.6 -60.2 122.9 -19.9 -24.6 -58.1 67 101 A Q E -D 48 0A 78 -19,-2.0 -19,-2.0 -2,-0.2 2,-0.4 -0.996 36.9-121.8-144.2 139.1 -22.2 -27.5 -57.1 68 102 A L E -D 47 0A 32 491,-2.3 -21,-0.3 -2,-0.3 3,-0.1 -0.617 22.7-179.9 -78.6 124.8 -22.6 -29.7 -54.1 69 103 A I E - 0 0 31 -23,-3.0 2,-0.3 -2,-0.4 -22,-0.2 0.861 68.5 -19.0 -91.6 -38.6 -22.1 -33.4 -55.1 70 104 A R E -D 46 0A 94 -24,-1.3 -24,-2.4 56,-0.0 2,-0.6 -0.909 43.5-144.3-169.7 139.3 -22.7 -34.7 -51.5 71 105 A E E -D 45 0A 57 -2,-0.3 -26,-0.2 -26,-0.2 -3,-0.0 -0.915 43.4-146.2 -98.1 117.0 -22.7 -33.7 -47.8 72 106 A G - 0 0 11 -28,-3.3 -1,-0.1 -2,-0.6 50,-0.0 0.221 26.2 -44.1 -77.9-165.5 -21.3 -36.7 -46.0 73 107 A K - 0 0 114 1,-0.1 2,-0.8 49,-0.1 -29,-0.5 -0.250 54.9-108.3 -65.3 150.1 -21.8 -38.6 -42.6 74 108 A R + 0 0 140 -31,-0.1 -31,-0.2 -33,-0.1 2,-0.1 -0.721 47.7 178.3 -82.6 105.0 -22.0 -36.9 -39.2 75 109 A F B -C 42 0A 34 -33,-2.4 -33,-1.4 -2,-0.8 2,-0.1 -0.404 42.6 -49.5-100.0-177.8 -18.7 -37.7 -37.4 76 110 A T - 0 0 58 -35,-0.2 -35,-0.2 -2,-0.1 -1,-0.2 -0.318 59.6-126.4 -54.6 126.5 -17.3 -36.7 -34.0 77 111 A G > - 0 0 7 -37,-0.3 4,-1.7 -36,-0.1 3,-0.2 -0.314 21.3-112.6 -69.4 155.8 -17.6 -32.9 -33.4 78 112 A L H > S+ 0 0 3 -40,-0.5 4,-2.5 2,-0.2 5,-0.2 0.824 115.6 59.8 -61.0 -35.5 -14.4 -31.0 -32.4 79 113 A R H > S+ 0 0 25 2,-0.2 4,-3.3 1,-0.2 5,-0.2 0.925 106.4 48.4 -57.8 -46.3 -15.7 -30.3 -28.8 80 114 A V H > S+ 0 0 40 2,-0.2 4,-2.3 1,-0.2 5,-0.3 0.926 110.0 51.1 -62.5 -44.8 -16.0 -34.1 -28.2 81 115 A V H X S+ 0 0 11 -4,-1.7 4,-1.9 1,-0.2 -2,-0.2 0.954 117.1 40.8 -52.1 -55.1 -12.4 -34.7 -29.5 82 116 A L H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.892 115.4 48.7 -61.5 -47.4 -11.1 -31.9 -27.1 83 117 A E H X S+ 0 0 2 -4,-3.3 4,-1.6 2,-0.2 -1,-0.2 0.788 111.0 51.5 -69.4 -25.8 -13.3 -32.9 -24.1 84 118 A E H X S+ 0 0 98 -4,-2.3 4,-1.8 -5,-0.2 -1,-0.2 0.898 110.7 48.7 -74.2 -38.6 -12.2 -36.6 -24.5 85 119 A W H X S+ 0 0 11 -4,-1.9 4,-2.9 -5,-0.3 5,-0.3 0.895 112.7 46.6 -63.8 -46.1 -8.5 -35.5 -24.6 86 120 A L H X>S+ 0 0 1 -4,-2.3 4,-2.5 2,-0.2 5,-1.1 0.853 108.8 58.0 -63.8 -37.0 -9.0 -33.4 -21.4 87 121 A D H <5S+ 0 0 23 -4,-1.6 -2,-0.2 3,-0.2 -1,-0.2 0.881 116.3 33.2 -61.5 -43.2 -10.9 -36.3 -19.8 88 122 A T H <5S+ 0 0 99 -4,-1.8 -2,-0.2 3,-0.2 -1,-0.2 0.929 130.4 31.6 -80.0 -44.7 -7.9 -38.6 -20.2 89 123 A Y H <5S+ 0 0 95 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.704 129.9 30.9 -93.9 -22.2 -5.0 -36.1 -19.8 90 124 A A T <5S- 0 0 17 -4,-2.5 -3,-0.2 -5,-0.3 -1,-0.1 0.557 117.2-114.1-105.5 -15.0 -6.3 -33.5 -17.3 91 125 A G > < - 0 0 23 -5,-1.1 3,-0.6 -4,-0.0 -1,-0.2 -0.076 39.9 -51.3 99.0 160.0 -8.5 -36.1 -15.6 92 126 A K T 3 S+ 0 0 154 1,-0.2 -5,-0.0 -4,-0.1 -4,-0.0 -0.400 120.2 23.8 -69.1 143.6 -12.3 -36.7 -15.2 93 127 A D T > + 0 0 73 -2,-0.1 3,-1.3 1,-0.1 4,-0.3 0.825 67.0 150.1 69.0 39.9 -14.4 -33.8 -14.0 94 128 A W T < + 0 0 10 -3,-0.6 3,-0.2 1,-0.3 -2,-0.1 0.591 67.3 70.5 -71.1 -12.4 -11.9 -31.1 -15.1 95 129 A E T 3 S+ 0 0 12 1,-0.2 -1,-0.3 3,-0.1 270,-0.2 0.623 103.7 38.2 -77.6 -20.5 -15.2 -29.0 -15.5 96 130 A S S < S+ 0 0 21 -3,-1.3 -1,-0.2 293,-0.1 -2,-0.2 0.316 114.1 60.3-113.0 0.8 -15.6 -28.8 -11.7 97 131 A R S S- 0 0 88 -4,-0.3 2,-0.3 -3,-0.2 268,-0.1 -0.907 88.4 -97.1-129.0 158.0 -11.8 -28.4 -10.7 98 132 A P - 0 0 100 0, 0.0 2,-0.4 0, 0.0 268,-0.1 -0.559 42.0-159.4 -76.3 134.1 -8.9 -25.9 -11.3 99 133 A V - 0 0 43 266,-0.3 2,-1.2 -2,-0.3 3,-0.1 -0.958 19.5-133.6-118.4 131.8 -6.7 -27.2 -14.2 100 134 A D > - 0 0 97 -2,-0.4 3,-0.7 1,-0.2 4,-0.3 -0.724 20.4-168.0 -85.0 97.9 -3.1 -26.1 -14.9 101 135 A A G > S+ 0 0 9 -2,-1.2 3,-0.9 1,-0.2 4,-0.3 0.702 80.6 65.5 -57.2 -27.7 -3.4 -25.5 -18.7 102 136 A R G > S+ 0 0 162 1,-0.2 3,-2.1 2,-0.2 4,-0.2 0.925 94.7 59.0 -61.3 -46.7 0.5 -25.3 -19.0 103 137 A L G X S+ 0 0 92 -3,-0.7 3,-0.7 1,-0.3 -1,-0.2 0.607 91.9 69.7 -58.8 -16.9 0.8 -29.0 -18.0 104 138 A L G X S+ 0 0 4 -3,-0.9 3,-2.1 -4,-0.3 -1,-0.3 0.707 78.3 78.4 -79.2 -16.5 -1.4 -29.9 -21.0 105 139 A F G X S+ 0 0 81 -3,-2.1 3,-1.0 -4,-0.3 -1,-0.2 0.749 83.9 64.2 -61.5 -24.2 1.4 -29.0 -23.4 106 140 A Q G < S+ 0 0 114 -3,-0.7 -1,-0.3 -4,-0.2 -2,-0.1 0.529 98.5 57.1 -76.7 -3.4 3.1 -32.4 -22.6 107 141 A Y G <> + 0 0 70 -3,-2.1 4,-1.3 1,-0.1 3,-0.3 0.196 66.6 113.2-113.4 14.7 0.0 -34.1 -24.2 108 142 A V H X> S+ 0 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3,-2.6 -5,-0.1 4,-2.4 -0.842 81.9-138.7 -89.9 118.6 -12.4 -20.9 -16.7 367 401 A P H 3> S+ 0 0 25 0, 0.0 4,-1.7 0, 0.0 -1,-0.1 0.703 100.2 68.9 -51.1 -21.1 -10.3 -17.7 -16.7 368 402 A E H 34 S+ 0 0 25 2,-0.2 7,-0.2 1,-0.1 8,-0.1 0.599 114.5 25.9 -74.4 -12.6 -13.1 -16.0 -18.7 369 403 A I H X4 S+ 0 0 2 -3,-2.6 3,-0.5 -6,-0.3 7,-0.3 0.676 117.5 61.3-112.6 -44.6 -15.4 -16.1 -15.5 370 404 A S H 3< S+ 0 0 69 -4,-2.4 -2,-0.2 -7,-0.4 3,-0.1 0.803 117.9 28.4 -51.6 -43.8 -12.6 -16.2 -12.9 371 405 A F T 3< S+ 0 0 71 -4,-1.7 2,-0.4 -5,-0.2 -1,-0.2 0.406 116.5 64.5-100.7 -5.9 -11.2 -12.7 -14.0 372 406 A K X> - 0 0 4 -3,-0.5 4,-1.5 1,-0.1 3,-0.9 -0.805 50.3-173.9-135.0 97.0 -14.5 -11.2 -15.3 373 407 A V H 3> S+ 0 0 31 642,-0.5 4,-3.2 -2,-0.4 5,-0.2 0.812 88.8 63.6 -47.3 -43.8 -17.5 -10.5 -13.0 374 408 A T H 3> S+ 0 0 25 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.902 105.5 44.8 -52.3 -44.3 -19.6 -9.4 -16.1 375 409 A N H <> S+ 0 0 16 -3,-0.9 4,-1.6 -7,-0.2 -1,-0.2 0.874 113.0 50.6 -70.0 -37.8 -19.3 -13.0 -17.4 376 410 A E H X S+ 0 0 51 -4,-1.5 4,-2.7 -7,-0.3 -2,-0.2 0.911 110.8 49.0 -64.4 -46.0 -20.1 -14.5 -14.0 377 411 A M H X S+ 0 0 79 -4,-3.2 4,-2.9 1,-0.2 -2,-0.2 0.918 109.0 53.5 -59.5 -44.7 -23.2 -12.3 -13.7 378 412 A Q H < S+ 0 0 17 -4,-2.1 4,-0.3 -5,-0.2 -1,-0.2 0.864 111.8 45.4 -56.1 -42.7 -24.3 -13.4 -17.2 379 413 A e H ><>S+ 0 0 0 -4,-1.6 5,-2.0 2,-0.2 3,-1.7 0.971 113.9 48.1 -63.9 -57.2 -24.0 -17.1 -16.1 380 414 A R H ><5S+ 0 0 90 -4,-2.7 3,-1.8 1,-0.3 -2,-0.2 0.819 105.9 57.8 -54.7 -40.5 -25.9 -16.4 -12.7 381 415 A E T 3<5S+ 0 0 78 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.615 104.9 52.1 -67.6 -14.4 -28.7 -14.5 -14.5 382 416 A N T < 5S- 0 0 6 -3,-1.7 -1,-0.3 -4,-0.3 -2,-0.2 0.087 127.4-104.3-107.0 21.5 -29.3 -17.7 -16.6 383 417 A S T < 5S+ 0 0 39 -3,-1.8 2,-0.7 1,-0.2 -3,-0.2 0.537 82.3 129.0 64.7 19.8 -29.5 -19.7 -13.3 384 418 A I < - 0 0 1 -5,-2.0 -2,-0.2 -6,-0.1 -1,-0.2 -0.894 44.5-159.1-106.7 110.6 -25.9 -21.2 -13.6 385 419 A D > - 0 0 40 -2,-0.7 3,-1.2 1,-0.1 -21,-0.1 -0.798 3.8-158.5 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-67.2 132.5 -46.8 -29.1 -21.0 405 439 A T - 0 0 53 -85,-2.4 -81,-0.2 -82,-0.4 -80,-0.2 0.486 28.4-142.2-112.6 -6.7 -49.4 -26.4 -20.7 406 440 A G + 0 0 4 -83,-2.9 2,-0.5 -86,-0.7 -84,-0.2 0.860 44.9 147.6 43.3 59.3 -49.8 -25.5 -24.4 407 441 A N > - 0 0 66 -86,-1.5 4,-1.7 -84,-0.2 -1,-0.2 -0.917 27.2-171.1-124.4 93.8 -50.2 -21.7 -23.9 408 442 A F H > S+ 0 0 3 -2,-0.5 4,-2.9 81,-0.3 5,-0.2 0.835 82.9 53.8 -58.0 -41.8 -48.6 -19.9 -26.9 409 443 A D H > S+ 0 0 74 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.928 111.1 46.5 -61.2 -44.5 -48.9 -16.3 -25.5 410 444 A K H > S+ 0 0 82 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.821 112.3 52.1 -67.2 -32.3 -47.1 -17.4 -22.3 411 445 A c H X S+ 0 0 0 -4,-1.7 4,-3.0 -90,-0.3 5,-0.2 0.966 109.8 47.7 -67.1 -51.1 -44.5 -19.2 -24.5 412 446 A V H X S+ 0 0 4 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.888 113.0 48.6 -54.1 -48.9 -43.9 -16.0 -26.6 413 447 A S H X S+ 0 0 61 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.883 114.1 47.4 -62.2 -37.0 -43.6 -13.8 -23.5 414 448 A Q H X S+ 0 0 15 -4,-1.8 4,-2.3 2,-0.2 5,-0.3 0.904 110.5 49.1 -71.5 -42.9 -41.1 -16.4 -22.0 415 449 A V H X>S+ 0 0 0 -4,-3.0 4,-2.6 3,-0.2 5,-2.0 0.904 112.0 53.4 -62.6 -38.5 -39.0 -16.7 -25.2 416 450 A E H <>S+ 0 0 32 -4,-2.3 5,-3.7 -5,-0.2 -2,-0.2 0.926 115.1 36.0 -60.4 -56.0 -38.9 -12.8 -25.2 417 451 A S H <5S+ 0 0 52 -4,-2.1 6,-0.3 3,-0.2 -1,-0.2 0.847 127.2 38.0 -69.0 -38.0 -37.6 -12.3 -21.6 418 452 A I H <5S+ 0 0 7 -4,-2.3 -3,-0.2 -5,-0.2 -2,-0.2 0.902 134.4 6.2 -80.7 -48.4 -35.3 -15.3 -21.6 419 453 A L T <5S+ 0 0 5 -4,-2.6 21,-0.4 -5,-0.3 -3,-0.2 0.843 128.9 38.1-109.3 -43.4 -33.8 -15.4 -25.2 420 454 A V T - 0 0 8 12,-0.4 3,-0.6 -7,-0.2 -135,-0.2 -0.412 60.7 -76.0 -64.8 143.3 -26.7 -14.6 -23.0 427 461 A P T 3 S+ 0 0 0 0, 0.0 -1,-0.1 0, 0.0 -136,-0.1 -0.053 112.2 21.3 -53.1 147.2 -23.2 -16.1 -22.1 428 462 A A T 3 S+ 0 0 20 -3,-0.1 3,-0.3 1,-0.1 -137,-0.1 0.704 82.2 124.7 70.1 32.2 -20.2 -16.1 -24.5 429 463 A N <> + 0 0 8 -3,-0.6 4,-2.2 1,-0.2 3,-0.2 -0.077 18.3 123.8-111.5 37.8 -21.5 -13.2 -26.7 430 464 A I H > S+ 0 0 75 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.815 74.4 58.0 -62.8 -31.5 -18.6 -10.7 -26.6 431 465 A E H > S+ 0 0 56 -3,-0.3 4,-0.7 2,-0.2 -1,-0.2 0.918 109.9 41.9 -65.2 -45.1 -18.4 -10.8 -30.4 432 466 A A H >4>S+ 0 0 2 -143,-0.3 5,-2.0 2,-0.2 3,-0.8 0.934 116.1 49.4 -63.3 -51.5 -22.1 -9.6 -30.7 433 467 A A H ><5S+ 0 0 14 -4,-2.2 3,-1.3 1,-0.2 -2,-0.2 0.860 107.0 54.6 -56.9 -45.0 -21.7 -7.0 -27.9 434 468 A S H 3<5S+ 0 0 14 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.717 105.8 54.7 -61.5 -26.0 -18.4 -5.6 -29.5 435 469 A S T <<5S- 0 0 11 -3,-0.8 -169,-2.2 -4,-0.7 -1,-0.3 0.550 129.0 -99.8 -82.5 -17.3 -20.5 -5.1 -32.7 436 470 A G T < 5S+ 0 0 2 -3,-1.3 2,-0.5 -4,-0.4 -3,-0.2 0.277 93.6 104.1 111.5 -3.8 -23.0 -3.0 -30.7 437 471 A F < + 0 0 1 -5,-2.0 -2,-0.2 1,-0.1 -3,-0.1 -0.918 34.2 172.3-117.1 107.0 -25.7 -5.7 -30.2 438 472 A E S S+ 0 0 14 -2,-0.5 -12,-0.4 -5,-0.2 2,-0.3 0.723 75.4 4.9 -79.0 -28.9 -26.0 -7.4 -26.7 439 473 A S S > S- 0 0 6 -14,-0.1 3,-0.9 -7,-0.1 4,-0.4 -0.919 80.9 -97.1-149.8 169.8 -29.3 -9.2 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555 A F T 3< S+ 0 0 8 -4,-2.2 -195,-0.5 1,-0.3 3,-0.2 0.802 102.9 28.4 -47.8 -33.3 -42.4 -32.2 -29.4 520 556 A D T >> S+ 0 0 35 -4,-0.1 3,-1.2 1,-0.1 4,-0.6 0.047 82.1 119.7-117.6 24.2 -41.0 -28.7 -28.7 521 557 A L H X> + 0 0 4 -3,-2.2 4,-1.2 1,-0.2 3,-0.5 0.737 64.3 71.9 -59.8 -26.9 -41.6 -27.0 -32.1 522 558 A f H 3> S+ 0 0 3 -200,-0.4 4,-1.8 -4,-0.3 -1,-0.2 0.815 89.0 60.1 -62.0 -29.7 -43.8 -24.4 -30.4 523 559 A K H <> S+ 0 0 11 -3,-1.2 4,-1.8 -201,-0.4 -1,-0.2 0.884 106.2 48.0 -61.5 -41.2 -40.7 -22.7 -28.8 524 560 A T H < S+ 0 0 4 -4,-2.3 3,-0.8 1,-0.2 -2,-0.2 0.890 108.8 51.8 -65.6 -40.2 -38.4 -6.8 -37.5 536 572 A A H 3< S+ 0 0 53 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.673 105.6 55.3 -72.1 -17.9 -41.8 -5.0 -37.8 537 573 A A H 3< S+ 0 0 77 -4,-1.0 -1,-0.2 -3,-0.3 -2,-0.2 0.576 84.7 111.8 -90.3 -13.2 -40.8 -2.3 -35.2 538 574 A G S << S- 0 0 4 -3,-0.8 -93,-0.1 -4,-0.5 -90,-0.1 -0.151 79.0-120.9 -58.8 152.1 -37.6 -1.4 -37.2 539 575 A E S S+ 0 0 129 -95,-0.5 2,-0.4 -94,-0.1 -1,-0.1 0.922 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0.0 -1,-0.1 -0.360 20.7-149.3 -62.1 138.7 15.2 13.7 -33.7 1153 595 B L S S- 0 0 48 -8,-0.4 -493,-2.7 1,-0.1 2,-0.3 0.720 73.3 -14.7 -77.7 -28.8 13.5 13.4 -37.1 1154 596 B A S S- 0 0 6 -9,-0.4 -9,-0.5 -495,-0.2 2,-0.2 -0.936 77.2 -87.4-161.6 177.3 9.9 13.3 -35.7 1155 597 B D - 0 0 69 -2,-0.3 5,-0.3 -11,-0.1 2,-0.2 -0.545 40.4-100.6 -92.3 166.2 8.0 12.8 -32.4 1156 598 B L S S+ 0 0 29 -13,-0.4 2,-0.3 -2,-0.2 -1,-0.1 -0.548 77.2 77.3 -80.2 146.4 6.7 9.6 -30.7 1157 599 B G S S- 0 0 3 -359,-0.3 4,-0.4 -2,-0.2 -356,-0.3 -0.843 95.4 -61.8 139.6-172.6 3.0 9.0 -31.2 1158 600 B W S > S+ 0 0 6 -2,-0.3 4,-2.0 1,-0.2 5,-0.2 0.519 105.0 87.0 -83.1 -9.0 0.6 7.6 -33.9 1159 601 B Q H > S+ 0 0 20 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.898 91.2 39.8 -62.7 -54.4 1.4 10.4 -36.6 1160 602 B V H > S+ 0 0 2 -5,-0.3 4,-2.4 -3,-0.2 -1,-0.2 0.897 116.3 56.1 -58.9 -44.9 4.5 8.9 -38.4 1161 603 B G H > S+ 0 0 0 -4,-0.4 4,-2.1 -364,-0.3 -2,-0.2 0.823 103.5 50.1 -59.1 -41.4 2.8 5.4 -38.2 1162 604 B V H X S+ 0 0 2 -4,-2.0 4,-0.9 2,-0.2 -1,-0.2 0.882 111.4 50.7 -67.2 -35.7 -0.5 6.4 -39.9 1163 605 B I H >X S+ 0 0 0 -4,-1.3 4,-3.1 2,-0.2 3,-1.2 0.969 113.2 44.3 -60.1 -57.7 1.6 8.0 -42.8 1164 606 B L H 3X S+ 0 0 1 -4,-2.4 4,-2.3 1,-0.3 5,-0.3 0.817 103.5 64.9 -55.9 -38.7 3.7 4.8 -43.2 1165 607 B H H 3< S+ 0 0 32 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.810 118.4 27.2 -56.8 -30.7 0.5 2.6 -43.0 1166 608 B H H X< S+ 0 0 27 -3,-1.2 3,-0.9 -4,-0.9 -2,-0.2 0.885 121.2 50.4 -94.5 -53.0 -0.5 4.3 -46.2 1167 609 B V H 3< S+ 0 0 4 -4,-3.1 -514,-0.4 1,-0.2 -3,-0.2 0.716 102.0 62.2 -61.7 -29.6 2.9 5.3 -48.0 1168 610 B L T 3< S+ 0 0 4 -4,-2.3 2,-1.6 -5,-0.2 -1,-0.2 0.722 83.1 79.1 -72.5 -25.8 4.5 1.8 -47.6 1169 611 B F S <> S- 0 0 35 -3,-0.9 4,-2.6 -5,-0.3 5,-0.2 -0.678 75.1-169.6 -85.7 79.2 1.8 0.1 -49.8 1170 612 B T H > S+ 0 0 64 -2,-1.6 4,-2.1 1,-0.2 -1,-0.2 0.765 73.0 40.3 -36.5 -61.0 3.6 1.4 -52.9 1171 613 B E H > S+ 0 0 152 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.886 118.8 46.8 -66.8 -43.3 1.1 0.7 -55.8 1172 614 B E H > S+ 0 0 95 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.842 113.3 48.6 -70.4 -35.1 -1.9 1.8 -53.8 1173 615 B W H X>S+ 0 0 5 -4,-2.6 4,-3.2 2,-0.2 5,-0.6 0.898 110.2 52.5 -70.4 -39.7 -0.2 5.0 -52.5 1174 616 B G H X>S+ 0 0 12 -4,-2.1 5,-2.2 -5,-0.2 4,-1.5 0.893 112.7 44.9 -60.5 -42.7 0.8 5.8 -56.1 1175 617 B R H <>S+ 0 0 117 -4,-1.9 5,-2.5 3,-0.2 6,-0.3 0.938 122.5 35.0 -66.0 -53.9 -2.8 5.4 -57.3 1176 618 B T H <>S+ 0 0 35 -4,-2.3 5,-1.5 3,-0.2 -2,-0.2 0.935 128.3 34.6 -66.9 -53.1 -4.4 7.4 -54.5 1177 619 B A H <5S+ 0 0 1 -4,-3.2 5,-0.2 -5,-0.2 -3,-0.2 0.898 134.6 14.6 -73.1 -44.9 -1.6 10.0 -54.0 1178 620 B Y T <44 S+ 0 0 76 1,-0.2 3,-0.9 -5,-0.2 4,-0.2 0.670 130.4 73.3 -67.8 -20.8 -5.7 16.8 -55.8 1183 625 B S G >4 S+ 0 0 57 -3,-0.3 3,-0.9 1,-0.2 -1,-0.2 0.640 76.8 73.8 -70.3 -17.5 -7.0 16.6 -59.3 1184 626 B H G << S+ 0 0 149 -3,-1.2 -1,-0.2 -4,-0.6 -2,-0.2 0.894 95.2 55.4 -61.1 -35.1 -9.8 14.2 -58.2 1185 627 B N G < S+ 0 0 54 -3,-0.9 -1,-0.2 -4,-0.3 -2,-0.2 0.634 79.7 119.7 -72.6 -20.0 -11.3 17.4 -56.6 1186 628 B L < 0 0 114 -3,-0.9 -3,-0.0 -4,-0.2 0, 0.0 -0.153 360.0 360.0 -48.9 138.9 -11.3 19.4 -60.0 1187 629 B E 0 0 223 0, 0.0 -1,-0.0 0, 0.0 -4,-0.0 0.960 360.0 360.0 -45.1 360.0 -14.9 20.5 -61.0