==== 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-APR-08 2ZM0 . COMPND 2 MOLECULE: 6-AMINOHEXANOATE-DIMER HYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: FLAVOBACTERIUM SP.; . AUTHOR T.OHKI,N.SHIBATA,Y.HIGUCHI,Y.KAWASHIMA,M.TAKEO,D.KATO,S.NEGO . 384 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16831.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 253 65.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 55 14.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 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 . 17 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 61 15.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 97 25.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 2.3 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 2 1 1 1 2 0 0 1 0 0 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 3 4 2 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 1 1 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 5 A S 0 0 151 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 151.7 35.7 1.5 -3.7 2 6 A T - 0 0 22 1,-0.3 134,-0.2 135,-0.0 135,-0.1 0.278 360.0-132.5-108.4 8.4 39.1 3.0 -3.2 3 7 A G - 0 0 29 133,-0.1 -1,-0.3 132,-0.1 2,-0.1 -0.161 51.4 -8.2 77.4-168.0 41.0 0.6 -5.5 4 8 A Q - 0 0 159 10,-0.0 0, 0.0 218,-0.0 0, 0.0 -0.403 58.9-177.2 -72.5 136.3 44.2 -1.4 -5.0 5 9 A H - 0 0 51 -2,-0.1 2,-0.1 220,-0.0 222,-0.1 -0.929 39.1 -85.0-128.1 155.4 46.4 -0.8 -1.9 6 10 A P - 0 0 25 0, 0.0 220,-0.1 0, 0.0 222,-0.1 -0.377 50.7-112.4 -62.2 130.6 49.7 -2.3 -0.9 7 11 A A - 0 0 47 218,-0.2 220,-0.2 1,-0.1 7,-0.1 -0.282 15.0-126.2 -62.4 147.4 49.3 -5.7 0.8 8 12 A R S S- 0 0 14 8,-0.6 -1,-0.1 5,-0.4 6,-0.1 0.842 93.7 -2.5 -63.7 -33.2 50.2 -5.8 4.5 9 13 A Y S > S- 0 0 29 7,-0.2 3,-2.5 4,-0.1 -1,-0.2 -0.959 105.4 -60.4-149.6 164.8 52.5 -8.7 3.7 10 14 A P T 3 S+ 0 0 129 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 -0.272 123.7 4.4 -52.6 115.2 53.3 -10.8 0.5 11 15 A G T 3 S+ 0 0 79 1,-0.3 2,-0.1 -2,-0.1 -3,-0.0 0.420 91.1 152.9 93.8 -1.5 50.0 -12.4 -0.7 12 16 A A < - 0 0 15 -3,-2.5 -1,-0.3 1,-0.1 3,-0.1 -0.346 45.3-118.8 -66.7 140.4 47.7 -10.8 1.9 13 17 A A > - 0 0 58 1,-0.2 3,-1.9 -6,-0.1 -5,-0.4 -0.304 50.3 -73.5 -66.2 160.2 44.1 -10.2 0.9 14 18 A A T 3 S+ 0 0 105 1,-0.3 -1,-0.2 -7,-0.1 -7,-0.1 -0.344 119.2 6.7 -57.4 131.3 42.9 -6.6 0.8 15 19 A G T 3 S+ 0 0 39 1,-0.2 -1,-0.3 238,-0.2 239,-0.1 0.518 99.9 174.2 78.1 4.3 42.5 -5.2 4.3 16 20 A E < + 0 0 57 -3,-1.9 -8,-0.6 237,-0.1 -1,-0.2 -0.804 42.9 31.8-106.5 143.7 44.0 -8.2 6.1 17 21 A P S S- 0 0 0 0, 0.0 2,-0.2 0, 0.0 -2,-0.0 0.582 70.1-178.4 -85.8 168.6 44.8 -8.8 8.8 18 22 A T >> - 0 0 55 -2,-0.1 4,-1.4 235,-0.0 3,-1.4 -0.635 49.1 -90.4-111.1 177.6 42.3 -7.0 11.1 19 23 A L T 34 S+ 0 0 103 1,-0.3 4,-0.1 -2,-0.2 19,-0.0 0.772 129.6 47.5 -58.3 -24.8 42.3 -6.9 14.9 20 24 A D T 34 S+ 0 0 146 1,-0.1 -1,-0.3 2,-0.1 3,-0.0 0.505 117.7 37.5 -97.6 -4.3 40.0 -9.9 14.7 21 25 A S T X4 S+ 0 0 9 -3,-1.4 3,-1.8 2,-0.1 6,-0.2 0.480 80.5 98.1-123.3 -5.0 42.0 -12.0 12.3 22 26 A W T 3< S+ 0 0 36 -4,-1.4 9,-0.2 1,-0.3 10,-0.2 0.726 83.0 56.2 -66.3 -20.3 45.7 -11.5 13.0 23 27 A Q T 3 S+ 0 0 134 -4,-0.1 -1,-0.3 8,-0.1 -2,-0.1 0.623 95.1 86.3 -82.6 -12.7 46.0 -14.7 15.0 24 28 A E S <> S- 0 0 108 -3,-1.8 4,-1.8 1,-0.1 3,-0.5 -0.539 86.1 -70.2 -90.3 153.8 44.7 -16.8 12.1 25 29 A P T 4 S+ 0 0 98 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.528 111.0 19.3 -79.1 150.9 46.8 -18.2 9.3 26 30 A P T >> S+ 0 0 86 0, 0.0 3,-0.9 0, 0.0 4,-0.5 -0.982 125.3 54.7 -86.2 2.6 48.3 -17.0 7.0 27 31 A H H >> S+ 0 0 15 -3,-0.5 4,-2.6 1,-0.2 3,-1.0 0.839 93.9 69.7 -62.6 -36.3 48.2 -13.6 8.7 28 32 A N H 3X S+ 0 0 35 -4,-1.8 4,-2.6 1,-0.3 -1,-0.2 0.750 87.0 64.2 -65.0 -24.1 49.8 -14.8 11.9 29 33 A R H <4 S+ 0 0 215 -3,-0.9 4,-0.3 2,-0.2 -1,-0.3 0.910 115.3 32.3 -63.6 -40.4 53.3 -15.4 10.4 30 34 A W H X< S+ 0 0 29 -3,-1.0 3,-1.4 -4,-0.5 4,-0.4 0.920 118.6 53.8 -76.0 -46.3 53.5 -11.7 9.7 31 35 A A H >< S+ 0 0 0 -4,-2.6 3,-1.4 1,-0.3 -2,-0.2 0.843 100.1 59.7 -64.0 -35.8 51.5 -10.5 12.7 32 36 A F T 3< S+ 0 0 130 -4,-2.6 -1,-0.3 1,-0.3 3,-0.2 0.728 110.5 43.7 -65.7 -19.3 53.6 -12.3 15.2 33 37 A A T < S+ 0 0 73 -3,-1.4 -1,-0.3 -4,-0.3 -2,-0.2 0.418 125.8 32.0-101.8 -0.5 56.6 -10.3 14.0 34 38 A H X + 0 0 80 -3,-1.4 3,-2.0 -4,-0.4 4,-0.3 -0.113 67.6 143.3-146.2 39.2 54.8 -7.0 13.9 35 39 A L G >> + 0 0 64 1,-0.3 4,-2.6 -3,-0.2 3,-2.2 0.776 64.8 70.0 -66.2 -26.6 52.1 -7.0 16.6 36 40 A G G 34 S+ 0 0 53 1,-0.3 -1,-0.3 2,-0.2 5,-0.2 0.725 90.9 63.7 -60.9 -20.2 52.5 -3.3 17.5 37 41 A E G <4 S+ 0 0 49 -3,-2.0 -1,-0.3 -6,-0.2 -2,-0.2 0.610 115.2 30.0 -75.5 -13.9 50.9 -2.6 14.1 38 42 A M T <4 S+ 0 0 26 -3,-2.2 -2,-0.2 1,-0.3 -1,-0.1 0.720 124.4 34.0-113.0 -36.7 47.7 -4.3 15.3 39 43 A V S < S- 0 0 48 -4,-2.6 -1,-0.3 -20,-0.0 0, 0.0 -0.982 87.6-101.3-132.5 132.8 47.6 -3.8 19.1 40 44 A P - 0 0 126 0, 0.0 2,-0.3 0, 0.0 -3,-0.1 -0.242 51.1-174.1 -52.8 137.5 48.8 -0.9 21.3 41 45 A S - 0 0 90 -5,-0.2 2,-0.3 -4,-0.0 -5,-0.0 -0.975 19.9-143.7-144.9 148.6 52.1 -1.8 22.8 42 46 A A - 0 0 93 -2,-0.3 2,-0.3 2,-0.0 -6,-0.0 -0.851 24.9-112.9-114.7 149.0 54.6 -0.5 25.3 43 47 A A - 0 0 103 -2,-0.3 2,-0.7 1,-0.0 0, 0.0 -0.591 17.2-149.4 -77.5 138.0 58.4 -0.8 25.4 44 48 A V - 0 0 140 -2,-0.3 -1,-0.0 2,-0.0 2,-0.0 -0.937 31.8-124.8-107.6 107.9 60.0 -2.9 28.1 45 49 A S - 0 0 89 -2,-0.7 -2,-0.0 1,-0.1 0, 0.0 -0.230 21.4-161.9 -71.1 135.7 63.3 -1.1 28.6 46 50 A R S S+ 0 0 209 2,-0.1 -1,-0.1 -2,-0.0 -2,-0.0 0.553 78.4 77.0 -81.4 -10.6 66.7 -2.9 28.4 47 51 A R 0 0 110 1,-0.0 -2,-0.1 0, 0.0 0, 0.0 -0.846 360.0 360.0-103.9 136.9 68.2 -0.0 30.4 48 52 A P 0 0 181 0, 0.0 -2,-0.1 0, 0.0 -1,-0.0 -0.317 360.0 360.0 -59.6 360.0 67.7 0.3 34.1 49 ! 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 50 57 A G 0 0 110 0, 0.0 2,-0.4 0, 0.0 43,-0.2 0.000 360.0 360.0 360.0 -5.8 64.3 12.1 36.0 51 58 A H - 0 0 163 41,-0.2 43,-0.3 44,-0.0 44,-0.1 -0.990 360.0-104.5-135.0 142.9 66.3 15.3 35.5 52 59 A A - 0 0 23 -2,-0.4 2,-0.6 41,-0.2 40,-0.2 -0.337 27.6-139.4 -65.2 142.0 66.4 17.7 32.6 53 60 A L E -A 91 0A 72 38,-3.0 38,-2.5 42,-0.2 2,-0.6 -0.924 22.1-178.6-105.1 116.6 69.5 17.6 30.4 54 61 A A E +A 90 0A 43 -2,-0.6 36,-0.2 36,-0.2 2,-0.2 -0.935 18.7 154.7-120.4 109.7 70.8 21.0 29.3 55 62 A R E +A 89 0A 154 34,-3.0 34,-2.2 -2,-0.6 35,-0.1 -0.611 9.5 157.3-127.3 71.4 73.8 21.2 27.1 56 63 A L >> - 0 0 18 32,-0.3 3,-0.7 1,-0.2 4,-0.5 0.482 27.3-172.5 -83.6 -2.0 73.2 24.6 25.4 57 64 A G G >4 - 0 0 51 1,-0.2 3,-0.7 2,-0.2 4,-0.3 -0.125 56.8 -9.6 58.8-135.0 76.9 25.0 24.6 58 65 A A G >4 S+ 0 0 78 29,-0.5 3,-1.5 1,-0.2 4,-0.5 0.841 127.0 63.7 -72.9 -35.6 78.1 28.2 23.1 59 66 A I G <> S+ 0 0 4 -3,-0.7 4,-2.0 28,-0.3 3,-0.5 0.655 83.4 81.1 -67.4 -13.5 74.8 29.9 22.4 60 67 A A G << S+ 0 0 40 -3,-0.7 -1,-0.3 -4,-0.5 6,-0.2 0.850 87.8 55.0 -59.4 -34.8 74.1 29.8 26.2 61 68 A A T <4 S+ 0 0 89 -3,-1.5 -1,-0.2 -4,-0.3 -2,-0.2 0.831 112.4 41.5 -69.3 -33.0 76.2 33.0 26.5 62 69 A Q T 4 S+ 0 0 102 -4,-0.5 -1,-0.2 -3,-0.5 -2,-0.2 0.712 123.4 39.3 -87.4 -23.2 74.1 34.9 23.9 63 70 A L >< + 0 0 18 -4,-2.0 3,-1.6 1,-0.1 -1,-0.3 -0.685 66.8 171.0-127.3 78.1 70.8 33.5 25.3 64 71 A P T 3 S+ 0 0 106 0, 0.0 3,-0.2 0, 0.0 4,-0.2 0.718 80.0 44.8 -58.0 -26.3 71.1 33.4 29.1 65 72 A D T 3> S+ 0 0 95 1,-0.2 4,-2.2 2,-0.1 5,-0.2 0.186 78.1 115.6-105.6 17.0 67.4 32.6 29.6 66 73 A L H <> S+ 0 0 1 -3,-1.6 4,-2.6 1,-0.2 5,-0.2 0.890 72.8 50.4 -59.4 -47.5 67.1 29.9 27.0 67 74 A E H > S+ 0 0 70 -4,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.920 112.7 48.0 -59.3 -43.0 66.4 26.9 29.2 68 75 A Q H > S+ 0 0 99 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.895 111.2 50.7 -62.6 -40.1 63.6 28.8 31.0 69 76 A R H X S+ 0 0 57 -4,-2.2 4,-1.1 2,-0.2 -2,-0.2 0.866 110.6 49.6 -66.8 -35.2 62.2 29.9 27.6 70 77 A L H <>S+ 0 0 0 -4,-2.6 5,-2.2 2,-0.2 3,-0.4 0.914 111.1 49.0 -67.7 -43.1 62.3 26.2 26.5 71 78 A E H ><5S+ 0 0 104 -4,-2.7 3,-1.9 1,-0.2 -2,-0.2 0.926 107.8 55.1 -58.9 -45.0 60.5 25.2 29.7 72 79 A Q H 3<5S+ 0 0 96 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.767 108.1 49.0 -63.6 -26.3 57.9 27.9 29.1 73 80 A T T 3<5S- 0 0 1 -4,-1.1 -1,-0.3 -3,-0.4 285,-0.2 0.036 118.0-110.5-103.1 25.9 57.1 26.5 25.7 74 81 A Y T < 5 - 0 0 110 -3,-1.9 284,-2.1 1,-0.2 2,-0.3 0.863 47.4-170.9 55.2 45.4 56.8 22.9 26.9 75 82 A T E < +B 357 0A 3 -5,-2.2 282,-0.3 282,-0.2 -1,-0.2 -0.527 21.8 171.7 -75.1 127.2 60.0 21.7 25.2 76 83 A D E S+ 0 0 6 280,-2.7 16,-1.9 1,-0.4 2,-0.3 0.804 73.5 7.2 -98.4 -44.4 60.5 18.0 25.3 77 84 A A E +BC 356 91A 0 279,-2.4 279,-3.2 14,-0.2 -1,-0.4 -0.999 63.1 176.9-142.5 139.4 63.5 17.9 23.0 78 85 A F E +BC 355 90A 0 12,-2.4 12,-2.5 -2,-0.3 2,-0.3 -0.994 6.4 170.6-144.0 131.1 65.6 20.6 21.4 79 86 A L E -BC 354 89A 0 275,-2.5 275,-3.0 -2,-0.4 2,-0.5 -0.988 18.4-157.5-149.2 134.9 68.7 20.2 19.2 80 87 A V E -BC 353 88A 0 8,-2.8 7,-2.4 -2,-0.3 8,-1.1 -0.959 8.3-168.1-114.7 120.3 70.9 22.6 17.1 81 88 A L E -BC 352 86A 1 271,-3.1 271,-2.7 -2,-0.5 2,-0.7 -0.937 0.7-170.6-108.9 113.5 72.9 21.1 14.3 82 89 A R E > -BC 351 85A 101 3,-2.8 3,-2.1 -2,-0.6 2,-0.5 -0.921 69.5 -43.2-104.8 113.4 75.5 23.5 12.9 83 90 A G T 3 S- 0 0 14 267,-2.5 269,-0.1 -2,-0.7 194,-0.1 -0.580 124.8 -28.6 63.0-119.2 76.9 21.9 9.8 84 91 A T T 3 S+ 0 0 121 -2,-0.5 2,-0.4 2,-0.0 -1,-0.3 0.326 121.4 95.4-105.8 5.0 77.5 18.3 10.8 85 92 A E E < S- C 0 82A 117 -3,-2.1 -3,-2.8 2,-0.0 2,-0.8 -0.831 71.1-133.5-108.1 132.2 78.0 19.1 14.5 86 93 A V E + C 0 81A 45 -2,-0.4 -5,-0.2 -5,-0.2 3,-0.1 -0.729 31.5 171.0 -76.6 112.9 75.5 19.1 17.4 87 94 A V E + 0 0 26 -7,-2.4 -29,-0.5 -2,-0.8 -28,-0.3 0.540 60.7 19.1-106.4 -10.2 76.2 22.4 19.1 88 95 A A E + C 0 80A 1 -8,-1.1 -8,-2.8 -31,-0.1 2,-0.3 -0.938 61.0 175.6-160.9 139.7 73.3 22.5 21.6 89 96 A E E +AC 55 79A 33 -34,-2.2 -34,-3.0 -2,-0.3 2,-0.3 -0.996 4.4 178.9-143.6 146.8 70.9 20.1 23.1 90 97 A Y E +AC 54 78A 9 -12,-2.5 -12,-2.4 -2,-0.3 2,-0.4 -0.961 0.9 177.8-147.9 134.5 68.1 20.1 25.7 91 98 A Y E -AC 53 77A 3 -38,-2.5 -38,-3.0 -2,-0.3 -14,-0.2 -0.999 28.6-122.2-134.4 133.5 65.8 17.3 26.9 92 99 A R > - 0 0 96 -16,-1.9 3,-2.1 -2,-0.4 -41,-0.2 -0.214 46.0 -78.3 -67.9 160.4 63.2 17.7 29.6 93 100 A A T 3 S+ 0 0 45 1,-0.3 -41,-0.2 -43,-0.2 -1,-0.2 -0.384 122.3 24.6 -54.9 132.0 63.3 15.5 32.7 94 101 A G T 3 S+ 0 0 55 -43,-0.3 2,-0.5 1,-0.1 -1,-0.3 0.426 101.4 97.3 90.9 -2.4 61.9 12.1 31.8 95 102 A F < - 0 0 18 -3,-2.1 -42,-0.2 -44,-0.1 -1,-0.1 -0.965 64.3-148.0-120.9 115.0 62.7 12.4 28.1 96 103 A A > - 0 0 32 -2,-0.5 3,-2.1 1,-0.1 -4,-0.1 -0.437 24.8-113.3 -80.9 153.6 65.9 10.7 27.1 97 104 A P T 3 S+ 0 0 58 0, 0.0 170,-0.4 0, 0.0 169,-0.4 0.809 119.1 43.1 -53.6 -32.3 68.1 12.0 24.2 98 105 A D T 3 S+ 0 0 43 167,-0.1 2,-0.1 168,-0.1 167,-0.1 0.243 87.6 115.8-103.2 12.7 67.3 8.8 22.2 99 106 A D < - 0 0 57 -3,-2.1 167,-0.4 1,-0.1 2,-0.3 -0.496 66.0-121.7 -71.9 150.7 63.6 8.8 23.0 100 107 A R - 0 0 83 165,-0.2 2,-0.4 -2,-0.1 165,-0.2 -0.685 24.3-160.2 -95.8 152.7 61.2 9.3 20.0 101 108 A H E -H 264 0B 20 163,-2.3 163,-1.7 -2,-0.3 2,-0.0 -0.993 26.6-103.0-136.1 137.9 58.7 12.1 19.9 102 109 A L E -H 263 0B 54 -2,-0.4 161,-0.3 161,-0.2 255,-0.2 -0.334 25.1-159.4 -57.9 135.8 55.5 12.5 17.8 103 110 A L > - 0 0 0 159,-3.2 3,-2.1 1,-0.2 -1,-0.1 0.603 13.5-170.0 -94.1 -14.0 56.1 15.0 14.9 104 111 A M T > S- 0 0 28 156,-0.8 3,-2.4 158,-0.4 158,-0.4 -0.295 75.0 -6.1 46.7-135.6 52.5 15.9 14.2 105 112 A S T >> S+ 0 0 12 1,-0.3 3,-1.3 2,-0.2 4,-0.6 0.530 118.3 81.7 -73.3 -2.5 52.5 17.9 10.9 106 113 A V H X> S+ 0 0 0 -3,-2.1 4,-1.0 1,-0.2 3,-0.9 0.815 82.3 72.0 -59.7 -26.1 56.3 18.0 10.7 107 114 A S H <> S+ 0 0 0 -3,-2.4 4,-2.1 1,-0.2 3,-0.3 0.821 85.1 64.6 -53.1 -33.5 55.4 14.5 9.3 108 115 A K H <> S+ 0 0 2 -3,-1.3 4,-2.8 151,-0.6 -1,-0.2 0.879 96.2 54.6 -61.5 -39.0 54.0 16.3 6.2 109 116 A S H S+ 0 0 0 -4,-1.7 5,-2.8 2,-0.2 6,-1.2 0.790 109.6 53.4 -74.1 -28.7 59.7 10.1 -6.9 119 126 A V H ><5S+ 0 0 39 -4,-2.0 3,-0.9 4,-0.2 -2,-0.2 0.901 106.6 53.7 -65.4 -41.3 59.6 13.3 -9.0 120 127 A D H 3<5S+ 0 0 75 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.849 109.5 47.8 -61.0 -35.3 63.4 13.1 -9.1 121 128 A E T 3<5S- 0 0 103 -4,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 0.561 116.4-117.5 -82.8 -9.5 63.0 9.5 -10.5 122 129 A G T < 5S+ 0 0 64 -3,-0.9 -3,-0.2 -4,-0.4 -2,-0.1 0.673 84.1 116.8 82.7 17.8 60.4 10.7 -13.0 123 130 A R S - 0 0 72 -2,-0.4 3,-2.3 1,-0.1 22,-0.3 -0.935 9.3-155.5-108.7 107.1 54.8 14.5 -12.6 126 133 A P T 3 S+ 0 0 21 0, 0.0 22,-2.6 0, 0.0 21,-0.3 0.729 91.8 63.0 -53.7 -22.7 53.5 17.3 -10.4 127 134 A A T 3 S+ 0 0 77 20,-0.2 22,-0.0 19,-0.2 -3,-0.0 0.689 86.1 94.2 -77.2 -18.1 51.7 18.9 -13.3 128 135 A Q S < S- 0 0 69 -3,-2.3 19,-2.5 1,-0.1 20,-0.3 -0.378 86.7-101.9 -75.0 151.1 49.5 15.8 -13.7 129 136 A P B > -J 146 0C 45 0, 0.0 3,-2.1 0, 0.0 4,-0.5 -0.420 28.5-115.7 -70.6 149.6 46.0 15.6 -12.1 130 137 A V G >> S+ 0 0 0 15,-2.2 4,-2.5 1,-0.3 3,-1.8 0.870 115.1 64.7 -47.9 -39.0 45.7 13.6 -8.9 131 138 A T G 34 S+ 0 0 34 11,-0.4 -1,-0.3 14,-0.3 7,-0.1 0.623 83.7 72.7 -68.7 -13.8 43.4 11.3 -10.8 132 139 A E G <4 S+ 0 0 113 -3,-2.1 -1,-0.3 2,-0.2 -2,-0.2 0.828 116.2 23.3 -61.6 -31.7 46.2 10.2 -13.1 133 140 A Y T <4 S+ 0 0 34 -3,-1.8 -2,-0.2 -4,-0.5 -1,-0.1 0.744 136.4 32.6-106.7 -35.2 47.6 8.3 -10.1 134 141 A V >< + 0 0 0 -4,-2.5 3,-2.0 -5,-0.1 -1,-0.2 -0.721 62.1 172.7-125.7 80.7 44.5 7.8 -8.0 135 142 A P G > S+ 0 0 62 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 0.785 73.4 72.3 -56.0 -28.9 41.5 7.4 -10.4 136 143 A E G 3 S+ 0 0 60 1,-0.3 -133,-0.1 -134,-0.2 -5,-0.1 0.549 81.1 71.6 -70.3 -6.3 39.2 6.5 -7.5 137 144 A L G X S+ 0 0 0 -3,-2.0 3,-1.9 5,-0.1 5,-0.3 0.415 70.2 123.9 -88.4 2.9 39.4 10.1 -6.3 138 145 A A T < S+ 0 0 61 -3,-2.0 3,-0.1 1,-0.3 4,-0.0 -0.337 70.7 29.4 -53.4 140.9 37.2 11.0 -9.3 139 146 A G T 3 S+ 0 0 51 1,-0.3 -1,-0.3 2,-0.0 2,-0.2 0.395 105.9 96.9 84.1 -4.7 34.0 12.8 -8.0 140 147 A S S X S- 0 0 10 -3,-1.9 3,-2.1 58,-0.1 -1,-0.3 -0.536 97.0 -92.2-106.5 178.3 35.8 14.2 -5.0 141 148 A V T 3 S+ 0 0 14 56,-2.2 57,-0.1 1,-0.3 15,-0.1 0.688 125.4 63.6 -63.3 -17.3 37.4 17.6 -4.4 142 149 A Y T 3 S+ 0 0 0 -5,-0.3 2,-0.9 55,-0.3 -11,-0.4 0.283 76.0 103.4 -91.4 9.8 40.7 16.0 -5.6 143 150 A D S < S+ 0 0 81 -3,-2.1 3,-0.1 1,-0.1 -5,-0.1 -0.835 92.3 12.7 -90.9 103.7 39.1 15.5 -9.1 144 151 A G S S+ 0 0 55 -2,-0.9 -1,-0.1 1,-0.5 -2,-0.1 -0.399 98.1 104.7 127.1 -58.1 40.6 18.3 -11.1 145 152 A P - 0 0 10 0, 0.0 -15,-2.2 0, 0.0 -1,-0.5 -0.141 67.4-118.4 -58.5 152.7 43.6 19.6 -9.1 146 153 A S B > -J 129 0C 22 -17,-0.3 4,-1.3 -16,-0.1 -19,-0.2 -0.431 23.5-109.8 -84.6 164.5 47.2 18.8 -9.9 147 154 A V H > S+ 0 0 0 -19,-2.5 4,-2.7 -21,-0.3 3,-0.2 0.878 120.9 56.5 -59.6 -37.5 49.6 16.9 -7.7 148 155 A L H > S+ 0 0 52 -22,-2.6 4,-2.6 -20,-0.3 173,-0.3 0.889 102.0 54.7 -63.5 -37.7 51.5 20.2 -7.3 149 156 A Q H 4>S+ 0 0 44 -23,-0.3 5,-2.7 2,-0.2 -1,-0.2 0.824 109.8 47.4 -66.4 -29.3 48.3 21.9 -6.0 150 157 A V H ><5S+ 0 0 0 -4,-1.3 3,-0.9 3,-0.2 -2,-0.2 0.928 111.4 51.0 -70.9 -46.1 48.1 19.1 -3.4 151 158 A L H 3<5S+ 0 0 0 -4,-2.7 171,-1.5 1,-0.3 -2,-0.2 0.871 118.2 37.8 -55.4 -40.9 51.8 19.6 -2.6 152 159 A D T 3<5S- 0 0 15 -4,-2.6 -1,-0.3 169,-0.2 -2,-0.2 0.413 107.9-127.2 -92.8 -1.0 51.3 23.4 -2.2 153 160 A M T < 5 + 0 0 0 -3,-0.9 54,-2.9 -4,-0.2 -3,-0.2 0.914 59.0 144.9 53.3 50.5 47.9 22.9 -0.5 154 161 A Q < + 0 0 26 -5,-2.7 50,-2.3 52,-0.2 2,-0.4 -0.364 30.9 110.1-112.6 50.1 46.1 25.3 -2.9 155 162 A I B -K 203 0D 2 52,-0.3 2,-0.5 48,-0.2 48,-0.2 -0.991 66.8-128.5-125.9 129.4 42.8 23.5 -3.1 156 163 A S + 0 0 34 46,-2.2 45,-0.5 -2,-0.4 2,-0.4 -0.663 37.3 176.5 -78.1 122.6 39.6 24.8 -1.6 157 164 A I - 0 0 8 -2,-0.5 2,-1.4 42,-0.2 42,-0.3 -0.988 39.4-125.5-132.9 134.8 38.1 22.1 0.5 158 165 A D + 0 0 110 40,-3.0 40,-0.4 -2,-0.4 2,-0.4 -0.670 55.2 150.3 -74.1 95.8 35.0 22.0 2.8 159 166 A Y - 0 0 15 -2,-1.4 2,-0.3 38,-0.1 -2,-0.1 -0.802 38.5-147.1-141.1 91.7 36.9 20.9 5.8 160 167 A N - 0 0 61 -2,-0.4 10,-2.0 1,-0.2 11,-0.3 -0.421 9.6-170.0 -66.2 122.5 35.6 21.9 9.2 161 168 A E + 0 0 100 -2,-0.3 2,-1.6 8,-0.1 -1,-0.2 0.293 51.3 116.9 -97.4 7.9 38.5 22.4 11.6 162 169 A D > - 0 0 79 1,-0.2 3,-1.4 2,-0.1 6,-0.3 -0.611 47.6-173.0 -76.1 89.7 36.2 22.7 14.6 163 170 A Y T 3 S+ 0 0 81 -2,-1.6 -1,-0.2 1,-0.3 5,-0.1 0.835 72.0 63.3 -61.3 -40.8 37.6 19.7 16.3 164 171 A V T 3 S+ 0 0 118 -3,-0.1 -1,-0.3 2,-0.1 -2,-0.1 0.750 86.9 84.7 -60.4 -24.6 35.2 19.4 19.2 165 172 A D S X S- 0 0 59 -3,-1.4 3,-1.9 1,-0.2 6,-0.4 -0.711 71.3-153.4 -80.7 115.3 32.4 18.8 16.8 166 173 A P T 3 S+ 0 0 41 0, 0.0 -1,-0.2 0, 0.0 17,-0.1 0.732 95.6 61.5 -60.7 -21.2 32.3 15.1 15.9 167 174 A A T 3 S+ 0 0 68 -5,-0.1 -7,-0.1 4,-0.1 -4,-0.1 0.696 82.5 109.3 -76.4 -19.6 30.7 16.0 12.5 168 175 A S S <> S- 0 0 0 -3,-1.9 4,-2.1 -6,-0.3 5,-0.2 -0.223 75.3-130.5 -60.8 144.7 33.8 18.0 11.7 169 176 A E H > S+ 0 0 49 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.842 105.8 60.9 -62.4 -32.6 36.1 16.7 9.0 170 177 A V H > S+ 0 0 19 -10,-2.0 4,-1.4 2,-0.2 -1,-0.2 0.910 110.2 37.4 -66.5 -42.1 39.1 17.2 11.3 171 178 A Q H > S+ 0 0 11 -6,-0.4 4,-2.4 -11,-0.3 -1,-0.2 0.866 114.4 55.7 -76.3 -35.2 37.8 14.8 13.9 172 179 A T H X S+ 0 0 20 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.874 104.4 55.1 -62.8 -36.0 36.4 12.4 11.4 173 180 A H H X S+ 0 0 3 -4,-2.3 4,-1.0 1,-0.2 -1,-0.2 0.935 108.6 47.7 -60.4 -46.8 39.9 12.3 9.8 174 181 A D H X>S+ 0 0 18 -4,-1.4 5,-2.5 1,-0.2 6,-0.9 0.901 113.2 47.9 -60.7 -42.9 41.3 11.2 13.2 175 182 A R H ><5S+ 0 0 11 -4,-2.4 3,-0.8 1,-0.2 -2,-0.2 0.907 108.3 53.1 -67.8 -41.4 38.6 8.6 13.7 176 183 A S H 3<5S+ 0 0 2 -4,-2.6 76,-0.4 1,-0.2 -1,-0.2 0.744 114.0 45.2 -63.8 -22.7 39.0 7.1 10.2 177 184 A A H 3<5S- 0 0 3 -4,-1.0 -1,-0.2 -3,-0.3 -2,-0.2 0.515 117.8-107.6-101.1 -9.7 42.7 6.7 11.0 178 185 A G T <<5S+ 0 0 56 -3,-0.8 -3,-0.2 -4,-0.8 -4,-0.1 0.567 87.2 117.2 93.4 9.7 42.5 5.3 14.5 179 186 A W S - 0 0 137 -11,-0.1 3,-2.0 -17,-0.1 -1,-0.0 -0.839 36.2 -82.6-111.2 156.8 31.6 6.4 15.5 184 191 A H T 3 S+ 0 0 201 -2,-0.3 -1,-0.1 1,-0.3 0, 0.0 -0.320 116.3 20.8 -58.4 133.3 28.9 4.5 13.7 185 192 A G T 3 S+ 0 0 69 1,-0.3 -1,-0.3 -3,-0.0 3,-0.1 0.297 88.2 144.5 93.1 -10.1 28.9 5.3 10.0 186 193 A D < - 0 0 19 -3,-2.0 -1,-0.3 1,-0.1 -4,-0.0 -0.193 62.2 -89.1 -61.4 152.0 32.5 6.5 9.9 187 194 A P - 0 0 14 0, 0.0 -1,-0.1 0, 0.0 3,-0.0 -0.295 36.1-123.1 -60.8 151.7 34.6 5.8 6.8 188 195 A A S S- 0 0 45 -3,-0.1 64,-0.3 1,-0.1 2,-0.3 0.838 81.6 -11.2 -68.5 -34.0 36.3 2.4 7.1 189 196 A D S > S- 0 0 21 62,-0.1 4,-1.9 63,-0.1 -12,-0.2 -0.864 82.3 -81.3-154.7-178.6 39.8 3.8 6.6 190 197 A T H > S+ 0 0 0 -2,-0.3 4,-2.1 -14,-0.2 5,-0.2 0.884 121.8 56.6 -65.2 -39.4 41.8 6.9 5.6 191 198 A Y H > S+ 0 0 4 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.932 108.4 46.9 -57.5 -47.3 41.4 6.2 1.9 192 199 A E H > S+ 0 0 75 1,-0.2 4,-0.7 2,-0.2 3,-0.2 0.910 109.1 54.8 -63.9 -41.8 37.6 6.2 2.1 193 200 A F H >< S+ 0 0 1 -4,-1.9 3,-1.1 1,-0.2 4,-0.3 0.898 104.8 54.3 -55.8 -42.5 37.5 9.3 4.2 194 201 A L H >< S+ 0 0 0 -4,-2.1 3,-1.4 1,-0.3 -53,-0.3 0.872 102.6 56.6 -63.4 -36.1 39.5 11.2 1.6 195 202 A T H 3< S+ 0 0 34 -4,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.669 98.4 62.7 -70.5 -16.3 36.9 10.3 -1.1 196 203 A T T << S+ 0 0 68 -3,-1.1 -1,-0.3 -4,-0.7 -2,-0.2 0.574 81.0 110.6 -82.6 -9.0 34.2 11.9 0.9 197 204 A L < - 0 0 2 -3,-1.4 -56,-2.2 -4,-0.3 2,-0.3 -0.438 44.6-179.5 -78.3 139.2 35.8 15.3 0.7 198 205 A R + 0 0 128 -40,-0.4 -40,-3.0 -58,-0.2 2,-0.3 -0.886 7.4 172.6-132.1 161.2 34.2 18.0 -1.4 199 206 A G - 0 0 33 -2,-0.3 -42,-0.2 -42,-0.3 -43,-0.0 -0.954 48.0 -95.8-158.7 174.6 34.9 21.6 -2.3 200 207 A D - 0 0 122 -2,-0.3 3,-0.1 2,-0.1 -43,-0.1 0.525 62.7-110.6 -79.3 -4.2 33.6 24.4 -4.6 201 208 A G S S+ 0 0 65 -45,-0.5 2,-0.1 1,-0.3 -1,-0.1 0.254 74.4 131.4 99.5 -12.4 36.2 23.6 -7.2 202 209 A S + 0 0 57 -47,-0.1 -46,-2.2 -46,-0.0 -1,-0.3 -0.411 30.2 178.8 -76.4 150.3 38.4 26.6 -6.8 203 210 A T B +K 155 0D 65 -48,-0.2 -48,-0.2 -2,-0.1 3,-0.1 -0.858 44.3 71.6-138.2 173.0 42.1 26.4 -6.5 204 211 A G S S+ 0 0 34 -50,-2.3 2,-0.4 1,-0.3 -49,-0.1 0.125 74.0 97.0 106.3 -21.2 45.1 28.7 -6.1 205 212 A E S S- 0 0 113 -51,-0.2 -1,-0.3 100,-0.0 100,-0.2 -0.866 80.0-110.2-102.6 136.5 44.6 29.9 -2.6 206 213 A F + 0 0 12 98,-2.7 2,-0.3 -2,-0.4 100,-0.3 -0.416 38.4 173.1 -62.3 128.9 46.5 28.2 0.3 207 214 A Q - 0 0 51 -54,-2.9 2,-0.4 -2,-0.2 -52,-0.3 -0.888 28.8-135.9-136.6 112.4 44.3 26.2 2.6 208 215 A Y + 0 0 67 -2,-0.3 2,-0.3 -54,-0.1 -55,-0.0 -0.500 39.6 158.8 -67.0 119.5 46.1 24.2 5.2 209 216 A C >> - 0 0 0 -2,-0.4 3,-1.6 1,-0.1 4,-0.5 -0.909 40.0-149.9-151.6 118.4 44.5 20.8 5.2 210 217 A S H >> S+ 0 0 22 -2,-0.3 4,-1.3 1,-0.3 3,-0.5 0.730 93.7 72.3 -61.7 -23.7 45.9 17.5 6.5 211 218 A A H 3> S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.851 88.0 64.6 -59.2 -33.6 43.9 15.5 4.0 212 219 A N H <> S+ 0 0 0 -3,-1.6 4,-1.9 1,-0.2 -1,-0.2 0.903 100.1 49.8 -56.7 -43.3 46.2 16.8 1.3 213 220 A T H > - 0 0 27 -2,-0.3 4,-2.7 -220,-0.2 3,-0.6 -0.407 36.2-117.0 -53.1 142.4 53.0 0.6 1.7 228 235 A Y H 3> S+ 0 0 0 1,-0.3 4,-2.9 2,-0.2 5,-0.2 0.883 116.8 61.9 -54.5 -37.8 53.6 4.2 2.6 229 236 A V H 3> S+ 0 0 42 25,-0.3 4,-1.0 1,-0.2 -1,-0.3 0.915 110.0 39.0 -51.1 -46.3 55.4 2.9 5.7 230 237 A E H <> S+ 0 0 97 -3,-0.6 4,-3.3 2,-0.2 -2,-0.2 0.887 113.2 54.8 -75.4 -38.4 57.9 1.2 3.5 231 238 A A H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 5,-0.4 0.896 104.3 55.2 -61.3 -39.3 58.1 4.0 1.0 232 239 A L H X>S+ 0 0 11 -4,-2.9 5,-2.7 -5,-0.2 4,-0.7 0.862 114.4 41.4 -63.3 -34.5 59.0 6.4 3.8 233 240 A S H <>S+ 0 0 52 -4,-1.0 5,-2.8 -5,-0.2 6,-0.3 0.953 117.0 46.1 -72.0 -53.2 61.9 4.1 4.7 234 241 A T H <5S+ 0 0 60 -4,-3.3 -2,-0.2 1,-0.2 -3,-0.2 0.884 121.7 34.1 -62.9 -42.1 63.1 3.3 1.2 235 242 A Y H <5S- 0 0 19 -4,-2.8 -1,-0.2 -5,-0.2 -3,-0.2 0.618 139.7 -3.2 -93.3 -12.6 63.0 6.9 -0.2 236 243 A L T ><5S+ 0 0 0 -4,-0.7 3,-1.9 -5,-0.4 4,-0.4 0.504 120.3 50.0-137.4 -67.3 64.0 8.7 2.9 237 244 A W G > XS+ 0 0 20 -5,-2.7 3,-1.5 1,-0.3 5,-0.6 0.855 107.4 53.3 -61.6 -40.3 64.6 7.2 6.3 238 245 A A G 3 - 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