==== 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 20-JAN-07 2E8I . COMPND 2 MOLECULE: 6-AMINOHEXANOATE-DIMER HYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: FLAVOBACTERIUM SP.; . AUTHOR N.SHIBATA,Y.HIGUCHI,S.NEGORO . 384 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16802.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 251 65.4 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 . 18 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 60 15.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 96 25.0 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 0 140 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 12.9 35.8 1.7 -3.8 2 6 A T - 0 0 17 1,-0.3 134,-0.2 135,-0.0 135,-0.1 0.340 360.0-136.3-103.6 5.4 39.3 3.1 -3.0 3 7 A G - 0 0 35 133,-0.1 -1,-0.3 132,-0.1 2,-0.2 -0.170 49.4 -7.8 77.6-167.6 41.1 0.7 -5.4 4 8 A Q - 0 0 156 10,-0.0 3,-0.0 218,-0.0 0, 0.0 -0.415 58.9-177.2 -72.3 135.1 44.3 -1.3 -5.0 5 9 A H - 0 0 49 -2,-0.2 2,-0.1 220,-0.0 222,-0.1 -0.928 39.1 -85.8-126.0 155.7 46.4 -0.7 -1.9 6 10 A P - 0 0 24 0, 0.0 220,-0.1 0, 0.0 222,-0.1 -0.378 50.3-112.2 -62.7 131.6 49.8 -2.3 -1.0 7 11 A A - 0 0 46 218,-0.2 220,-0.2 1,-0.1 7,-0.1 -0.290 15.2-125.7 -63.9 147.0 49.4 -5.6 0.8 8 12 A R S S- 0 0 13 8,-0.6 -1,-0.1 5,-0.4 6,-0.1 0.856 94.3 -2.1 -63.0 -35.0 50.4 -5.8 4.4 9 13 A Y S > S- 0 0 26 7,-0.2 3,-2.5 4,-0.1 -1,-0.2 -0.953 105.3 -62.0-146.4 166.1 52.7 -8.7 3.5 10 14 A P T 3 S+ 0 0 129 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 -0.287 123.7 6.2 -54.1 119.1 53.4 -10.7 0.3 11 15 A G T 3 S+ 0 0 81 1,-0.3 2,-0.0 -2,-0.1 -3,-0.0 0.393 91.4 151.7 91.5 -3.6 50.2 -12.4 -0.9 12 16 A A < - 0 0 15 -3,-2.5 -1,-0.3 1,-0.1 3,-0.1 -0.334 45.5-120.0 -64.7 140.1 48.0 -10.7 1.7 13 17 A A > - 0 0 60 1,-0.2 3,-1.9 -6,-0.1 -5,-0.4 -0.313 49.9 -72.1 -68.5 161.4 44.3 -10.1 0.8 14 18 A A T 3 S+ 0 0 105 1,-0.3 -1,-0.2 -7,-0.1 -7,-0.1 -0.331 119.7 5.8 -56.5 130.9 43.0 -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 0.481 100.0 175.2 78.3 1.4 42.7 -5.2 4.4 16 20 A E < + 0 0 56 -3,-1.9 -8,-0.6 237,-0.1 -7,-0.2 -0.769 43.5 31.2-103.6 144.0 44.3 -8.3 6.0 17 21 A P S S- 0 0 0 0, 0.0 2,-0.2 0, 0.0 -2,-0.0 0.585 71.0-177.2 -85.4 167.4 45.1 -8.9 8.7 18 22 A T >> - 0 0 55 -2,-0.1 3,-1.6 235,-0.0 4,-1.3 -0.634 48.7 -91.9-109.0 177.0 42.7 -7.1 11.0 19 23 A L T 34 S+ 0 0 101 1,-0.3 4,-0.1 -2,-0.2 19,-0.0 0.732 129.3 49.2 -58.7 -20.5 42.6 -7.0 14.8 20 24 A D T 34 S+ 0 0 145 1,-0.1 -1,-0.3 2,-0.1 0, 0.0 0.429 117.3 35.1-102.5 0.4 40.3 -10.0 14.6 21 25 A S T X4 S+ 0 0 9 -3,-1.6 3,-2.0 2,-0.1 6,-0.2 0.443 78.6 103.6-129.9 -2.8 42.3 -12.2 12.2 22 26 A W T 3< S+ 0 0 41 -4,-1.3 9,-0.2 1,-0.3 10,-0.2 0.671 79.8 57.0 -66.7 -16.7 46.0 -11.7 12.8 23 27 A Q T 3 S+ 0 0 129 -4,-0.1 -1,-0.3 8,-0.1 -2,-0.1 0.559 92.5 90.2 -85.9 -8.2 46.5 -15.0 14.7 24 28 A E S <> S- 0 0 105 -3,-2.0 4,-2.0 1,-0.1 3,-0.4 -0.530 84.9 -71.9 -89.8 152.8 45.2 -17.0 11.7 25 29 A P T 4 S+ 0 0 99 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.579 112.1 19.8 -79.4 150.5 47.3 -18.4 8.9 26 30 A P T >> S+ 0 0 86 0, 0.0 3,-0.8 0, 0.0 4,-0.6 -0.986 125.1 54.5 -86.6 1.0 48.8 -17.0 6.6 27 31 A H H >> S+ 0 0 14 -3,-0.4 4,-2.7 1,-0.2 3,-0.9 0.836 94.3 69.3 -61.0 -37.0 48.6 -13.7 8.5 28 32 A N H 3X S+ 0 0 36 -4,-2.0 4,-2.6 1,-0.3 -1,-0.2 0.759 87.1 63.1 -66.1 -26.0 50.3 -14.9 11.7 29 33 A R H <4 S+ 0 0 219 -3,-0.8 4,-0.3 1,-0.2 -1,-0.3 0.927 116.3 33.2 -60.3 -42.7 53.7 -15.4 10.3 30 34 A W H X< S+ 0 0 30 -3,-0.9 3,-1.4 -4,-0.6 4,-0.3 0.927 118.1 53.1 -74.1 -47.2 53.8 -11.7 9.6 31 35 A A H >< S+ 0 0 0 -4,-2.7 3,-1.6 1,-0.3 -2,-0.2 0.852 100.6 59.6 -63.5 -36.4 51.8 -10.6 12.6 32 36 A F T 3< S+ 0 0 128 -4,-2.6 -1,-0.3 1,-0.3 3,-0.2 0.718 110.8 43.5 -66.7 -17.6 53.9 -12.4 15.2 33 37 A A T < S+ 0 0 73 -3,-1.4 -1,-0.3 -4,-0.3 -2,-0.2 0.380 125.1 33.3-102.5 2.2 56.9 -10.3 14.0 34 38 A H X + 0 0 76 -3,-1.6 3,-2.1 -4,-0.3 4,-0.2 -0.069 66.4 140.9-147.6 35.7 54.9 -7.0 13.8 35 39 A L G >> + 0 0 65 1,-0.3 4,-2.6 -3,-0.2 3,-2.3 0.779 65.0 70.7 -65.0 -25.8 52.3 -7.1 16.6 36 40 A G G 34 S+ 0 0 52 1,-0.3 -1,-0.3 2,-0.2 5,-0.2 0.734 91.4 61.7 -61.3 -21.0 52.8 -3.4 17.4 37 41 A E G <4 S+ 0 0 51 -3,-2.1 -1,-0.3 -6,-0.2 -2,-0.2 0.568 115.0 32.3 -77.7 -11.1 51.1 -2.6 14.1 38 42 A M T <4 S+ 0 0 26 -3,-2.3 -2,-0.2 1,-0.3 -1,-0.1 0.710 124.2 32.6-112.6 -36.8 48.0 -4.3 15.3 39 43 A V S < S- 0 0 49 -4,-2.6 -1,-0.3 -20,-0.0 0, 0.0 -0.983 87.7-101.3-133.6 133.4 47.8 -3.8 19.1 40 44 A P - 0 0 127 0, 0.0 2,-0.3 0, 0.0 -3,-0.1 -0.264 50.8-173.5 -54.1 137.4 49.0 -0.8 21.2 41 45 A S - 0 0 91 -5,-0.2 2,-0.3 -4,-0.0 -5,-0.0 -0.971 19.6-144.5-143.9 148.1 52.3 -1.8 22.8 42 46 A A - 0 0 93 -2,-0.3 2,-0.2 2,-0.0 -6,-0.0 -0.861 25.4-112.5-114.7 148.7 54.9 -0.5 25.3 43 47 A A - 0 0 103 -2,-0.3 2,-0.6 1,-0.0 0, 0.0 -0.563 17.9-149.1 -75.2 139.7 58.7 -0.8 25.4 44 48 A V - 0 0 140 -2,-0.2 -1,-0.0 2,-0.0 2,-0.0 -0.946 32.0-123.7-110.2 107.7 60.2 -2.9 28.1 45 49 A S - 0 0 89 -2,-0.6 -2,-0.0 1,-0.1 0, 0.0 -0.215 21.9-162.3 -70.6 136.0 63.5 -1.2 28.7 46 50 A R S S+ 0 0 205 2,-0.1 -1,-0.1 -2,-0.0 -2,-0.0 0.537 77.9 78.8 -81.9 -9.4 66.8 -3.0 28.5 47 51 A R 0 0 113 1,-0.1 -2,-0.1 0, 0.0 0, 0.0 -0.841 360.0 360.0-103.8 137.2 68.3 -0.1 30.5 48 52 A P 0 0 183 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 -0.193 360.0 360.0 -60.1 360.0 67.9 0.1 34.3 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,-0.3 0, 0.0 43,-0.2 0.000 360.0 360.0 360.0 -7.6 65.0 12.0 36.0 51 58 A H - 0 0 165 41,-0.2 43,-0.3 44,-0.0 44,-0.1 -0.975 360.0 -96.6-138.5 152.0 66.7 15.3 35.4 52 59 A A - 0 0 25 -2,-0.3 2,-0.6 41,-0.2 40,-0.2 -0.378 30.1-139.4 -68.6 141.9 66.9 17.7 32.4 53 60 A L E -A 91 0A 70 38,-2.8 38,-2.2 42,-0.2 2,-0.5 -0.920 22.0-178.0-103.6 119.4 70.0 17.5 30.2 54 61 A A E +A 90 0A 44 -2,-0.6 2,-0.2 36,-0.2 36,-0.2 -0.920 20.8 152.4-124.2 106.2 71.3 21.0 29.1 55 62 A R E +A 89 0A 156 34,-2.9 34,-2.0 -2,-0.5 3,-0.1 -0.621 13.4 158.5-125.6 71.1 74.3 21.2 26.8 56 63 A L > + 0 0 18 32,-0.3 3,-1.6 1,-0.2 4,-0.4 0.409 26.8 177.6 -86.0 2.6 73.5 24.5 25.2 57 64 A G T 3 + 0 0 46 1,-0.3 -1,-0.2 2,-0.2 31,-0.1 -0.508 52.9 5.6 85.8-151.4 77.0 25.3 24.0 58 65 A A T 3 S+ 0 0 67 29,-0.2 -1,-0.3 2,-0.2 30,-0.1 -0.543 126.6 54.3 100.5 -51.2 78.2 27.6 22.4 59 66 A I S <> S+ 0 0 3 -3,-1.6 4,-2.1 28,-0.2 3,-0.4 0.369 83.2 87.2-122.7 -7.1 75.1 29.6 22.2 60 67 A A T 4 S+ 0 0 35 -4,-0.4 6,-0.2 1,-0.2 -2,-0.2 0.825 84.3 57.6 -61.9 -32.9 74.5 29.7 26.0 61 68 A A T 4 S+ 0 0 92 1,-0.2 -1,-0.2 2,-0.1 -2,-0.1 0.871 112.4 38.9 -67.2 -38.1 76.7 32.8 26.3 62 69 A Q T 4 S+ 0 0 93 -3,-0.4 -2,-0.2 1,-0.3 -1,-0.2 0.750 127.6 36.5 -83.2 -26.6 74.6 34.8 23.8 63 70 A L >< + 0 0 19 -4,-2.1 3,-1.6 1,-0.1 -1,-0.3 -0.675 68.5 167.2-125.8 76.1 71.3 33.3 25.2 64 71 A P T 3 S+ 0 0 103 0, 0.0 3,-0.3 0, 0.0 4,-0.2 0.787 79.5 46.4 -59.1 -31.1 71.9 33.0 29.0 65 72 A D T 3> S+ 0 0 100 1,-0.2 4,-2.0 -3,-0.1 5,-0.2 0.183 77.6 115.3 -98.3 17.1 68.2 32.4 29.7 66 73 A L H <> S+ 0 0 1 -3,-1.6 4,-2.4 1,-0.2 5,-0.2 0.887 71.7 53.2 -58.2 -44.2 67.7 29.8 26.9 67 74 A E H > S+ 0 0 67 -3,-0.3 4,-2.5 1,-0.2 -1,-0.2 0.923 109.9 48.4 -59.9 -43.5 67.0 26.8 29.2 68 75 A Q H > S+ 0 0 100 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.886 110.4 52.1 -62.0 -38.3 64.2 28.8 31.0 69 76 A R H X S+ 0 0 60 -4,-2.0 4,-1.0 2,-0.2 -1,-0.2 0.870 109.2 49.8 -67.2 -35.8 62.8 29.8 27.6 70 77 A L H <>S+ 0 0 0 -4,-2.4 5,-2.2 2,-0.2 3,-0.5 0.915 110.6 49.9 -67.2 -42.2 62.8 26.2 26.5 71 78 A E H ><5S+ 0 0 104 -4,-2.5 3,-1.9 1,-0.2 -2,-0.2 0.920 106.7 55.7 -59.8 -43.5 61.0 25.2 29.7 72 79 A Q H 3<5S+ 0 0 97 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.756 108.4 48.0 -63.8 -25.2 58.4 27.9 29.2 73 80 A T T 3<5S- 0 0 1 -4,-1.0 -1,-0.3 -3,-0.5 285,-0.2 0.042 117.6-111.0-104.9 25.0 57.6 26.5 25.8 74 81 A Y T < 5 - 0 0 112 -3,-1.9 284,-2.2 1,-0.2 2,-0.2 0.866 47.2-170.7 54.8 45.8 57.2 23.0 27.1 75 82 A T E < +B 357 0A 3 -5,-2.2 282,-0.3 282,-0.2 -1,-0.2 -0.495 21.7 172.9 -74.1 132.0 60.3 21.8 25.3 76 83 A D E S+ 0 0 6 280,-2.9 16,-2.0 1,-0.4 2,-0.3 0.781 73.7 6.7-101.8 -45.5 60.9 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 63.7 177.5-142.1 138.4 63.9 17.8 22.9 78 85 A F E +BC 355 90A 0 12,-2.5 12,-2.6 -2,-0.3 2,-0.3 -0.996 6.5 170.3-142.8 131.2 65.9 20.6 21.4 79 86 A L E -BC 354 89A 0 275,-2.4 275,-3.0 -2,-0.4 2,-0.5 -0.990 18.1-158.1-148.7 136.6 69.0 20.2 19.1 80 87 A V E -BC 353 88A 0 8,-2.7 7,-2.3 -2,-0.3 8,-1.1 -0.969 7.2-167.9-116.7 121.7 71.0 22.6 17.0 81 88 A L E -BC 352 86A 1 271,-2.9 271,-2.6 -2,-0.5 2,-0.6 -0.945 1.3-171.3-109.6 113.8 73.1 21.2 14.1 82 89 A R E > S-BC 351 85A 104 3,-2.8 3,-2.1 -2,-0.6 2,-0.5 -0.932 70.3 -41.3-106.1 113.9 75.6 23.6 12.7 83 90 A G T 3 S- 0 0 15 267,-2.4 269,-0.1 -2,-0.6 194,-0.1 -0.590 124.4 -31.0 64.2-120.0 77.1 22.1 9.6 84 91 A T T 3 S+ 0 0 121 -2,-0.5 2,-0.4 2,-0.0 -1,-0.3 0.361 121.0 97.7-105.4 1.9 77.6 18.5 10.6 85 92 A E E < S- C 0 82A 105 -3,-2.1 -3,-2.8 2,-0.0 2,-0.8 -0.788 70.7-134.6-103.2 130.5 78.3 19.3 14.3 86 93 A V E + C 0 81A 46 -2,-0.4 -5,-0.2 -5,-0.2 3,-0.1 -0.724 31.7 170.4 -75.9 112.5 75.8 19.1 17.1 87 94 A V E + 0 0 11 -7,-2.3 2,-0.3 -2,-0.8 -28,-0.2 0.521 60.4 20.2-108.5 -8.7 76.5 22.4 18.9 88 95 A A E + C 0 80A 1 -8,-1.1 -8,-2.7 -31,-0.1 2,-0.3 -0.934 60.9 175.6-160.0 140.2 73.6 22.6 21.4 89 96 A E E +AC 55 79A 29 -34,-2.0 -34,-2.9 -2,-0.3 2,-0.3 -0.997 3.5 177.1-143.3 145.6 71.2 20.0 22.9 90 97 A Y E +AC 54 78A 8 -12,-2.6 -12,-2.5 -2,-0.3 2,-0.4 -0.968 0.6 176.9-147.7 136.6 68.5 20.0 25.5 91 98 A Y E -AC 53 77A 2 -38,-2.2 -38,-2.8 -2,-0.3 -14,-0.2 -0.997 29.4-121.1-136.9 133.9 66.1 17.3 26.8 92 99 A R > - 0 0 96 -16,-2.0 3,-2.0 -2,-0.4 -41,-0.2 -0.178 45.6 -78.6 -66.5 162.1 63.6 17.7 29.6 93 100 A A T 3 S+ 0 0 46 1,-0.3 -41,-0.2 -43,-0.2 -1,-0.2 -0.425 122.5 25.8 -55.7 130.8 63.7 15.5 32.7 94 101 A G T 3 S+ 0 0 56 -43,-0.3 2,-0.5 1,-0.1 -1,-0.3 0.378 101.6 95.7 94.2 -5.3 62.2 12.2 31.7 95 102 A F < - 0 0 19 -3,-2.0 -42,-0.2 -44,-0.1 -1,-0.1 -0.964 64.5-147.8-121.6 115.1 63.0 12.4 28.0 96 103 A A > - 0 0 32 -2,-0.5 3,-2.1 1,-0.1 -4,-0.1 -0.436 24.9-113.9 -80.7 153.6 66.2 10.7 27.0 97 104 A P T 3 S+ 0 0 58 0, 0.0 170,-0.4 0, 0.0 169,-0.4 0.808 119.2 44.4 -53.6 -32.1 68.4 12.0 24.1 98 105 A D T 3 S+ 0 0 43 167,-0.1 2,-0.1 168,-0.1 167,-0.1 0.279 88.1 115.1-100.8 9.4 67.6 8.8 22.1 99 106 A D < - 0 0 58 -3,-2.1 167,-0.4 1,-0.1 2,-0.3 -0.475 65.9-121.3 -73.6 151.4 63.8 8.8 22.9 100 107 A R - 0 0 84 165,-0.2 2,-0.4 -2,-0.1 165,-0.2 -0.683 23.8-160.3 -96.9 151.2 61.4 9.3 20.0 101 108 A H E -H 264 0B 20 163,-2.4 163,-1.7 -2,-0.3 2,-0.0 -0.991 26.2-104.6-134.4 137.0 58.9 12.1 19.8 102 109 A L E -H 263 0B 53 -2,-0.4 161,-0.3 161,-0.2 159,-0.1 -0.329 24.7-159.6 -57.9 137.7 55.7 12.6 17.8 103 110 A L > - 0 0 0 159,-3.0 3,-2.1 1,-0.2 -1,-0.1 0.600 12.7-169.3 -97.0 -14.4 56.2 15.0 14.9 104 111 A M T > S- 0 0 30 156,-0.8 3,-2.5 158,-0.4 158,-0.4 -0.296 75.2 -6.6 47.3-136.8 52.6 15.9 14.2 105 112 A S T >> S+ 0 0 13 1,-0.3 3,-1.3 2,-0.2 4,-0.6 0.526 118.0 82.4 -72.7 -1.9 52.6 17.9 10.9 106 113 A V H X> S+ 0 0 0 -3,-2.1 4,-1.1 1,-0.2 3,-0.9 0.816 81.9 71.9 -59.7 -25.4 56.3 18.0 10.6 107 114 A S H <> S+ 0 0 0 -3,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.818 85.2 64.6 -53.6 -33.0 55.5 14.5 9.2 108 115 A K H <> S+ 0 0 2 -3,-1.3 4,-2.7 151,-0.6 -1,-0.2 0.879 96.4 54.3 -62.2 -38.8 54.1 16.4 6.2 109 116 A S H S+ 0 0 0 -4,-1.7 5,-3.0 2,-0.2 6,-1.1 0.796 109.8 53.4 -74.0 -28.8 59.8 10.1 -7.0 119 126 A V H ><5S+ 0 0 37 -4,-2.0 3,-1.1 4,-0.2 -2,-0.2 0.913 106.9 53.0 -65.4 -42.4 59.6 13.4 -9.0 120 127 A D H 3<5S+ 0 0 75 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.868 109.8 48.2 -59.5 -37.7 63.4 13.2 -9.2 121 128 A E T 3<5S- 0 0 105 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.555 116.6-117.9 -80.3 -8.9 63.1 9.6 -10.6 122 129 A G T < 5S+ 0 0 63 -3,-1.1 -3,-0.2 -4,-0.4 -2,-0.1 0.683 83.9 116.8 81.2 18.6 60.5 10.8 -13.0 123 130 A R S - 0 0 72 -2,-0.4 3,-2.3 1,-0.1 22,-0.3 -0.943 9.6-155.3-108.9 108.1 54.8 14.6 -12.6 126 133 A P T 3 S+ 0 0 20 0, 0.0 22,-2.6 0, 0.0 21,-0.4 0.720 91.7 64.0 -55.1 -21.1 53.4 17.4 -10.4 127 134 A A T 3 S+ 0 0 77 20,-0.2 22,-0.0 19,-0.2 -3,-0.0 0.680 85.7 93.7 -77.1 -17.5 51.7 18.9 -13.4 128 135 A Q S < S- 0 0 69 -3,-2.3 19,-2.4 1,-0.1 20,-0.3 -0.395 86.9-102.1 -76.5 151.3 49.5 15.8 -13.7 129 136 A P B > -J 146 0C 43 0, 0.0 3,-1.9 0, 0.0 4,-0.5 -0.395 28.4-115.9 -69.6 151.5 46.0 15.7 -12.1 130 137 A V G >> S+ 0 0 0 15,-2.3 4,-2.5 1,-0.3 3,-2.0 0.885 115.2 64.3 -49.9 -39.6 45.7 13.7 -8.8 131 138 A T G 34 S+ 0 0 35 11,-0.4 -1,-0.3 14,-0.3 7,-0.1 0.607 84.2 72.7 -68.7 -12.4 43.4 11.3 -10.7 132 139 A E G <4 S+ 0 0 113 -3,-1.9 -1,-0.3 2,-0.2 -2,-0.2 0.824 116.0 23.3 -63.5 -31.2 46.2 10.3 -13.1 133 140 A Y T <4 S+ 0 0 34 -3,-2.0 -2,-0.2 -4,-0.5 -1,-0.1 0.749 136.5 32.5-106.9 -34.6 47.6 8.4 -10.1 134 141 A V >< + 0 0 0 -4,-2.5 3,-2.0 -5,-0.1 -1,-0.2 -0.723 62.1 172.8-125.9 80.4 44.5 7.8 -8.0 135 142 A P G > S+ 0 0 61 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 0.788 73.6 72.7 -55.9 -28.8 41.5 7.5 -10.4 136 143 A E G 3 S+ 0 0 64 1,-0.3 -133,-0.1 -134,-0.2 -5,-0.1 0.574 81.4 70.9 -69.1 -8.3 39.3 6.6 -7.4 137 144 A L G X S+ 0 0 0 -3,-2.0 3,-1.8 5,-0.1 5,-0.3 0.412 70.2 123.4 -87.6 3.0 39.4 10.2 -6.2 138 145 A A T < S+ 0 0 60 -3,-2.1 3,-0.1 1,-0.2 4,-0.0 -0.360 70.8 30.1 -54.8 140.6 37.2 11.1 -9.2 139 146 A G T 3 S+ 0 0 53 1,-0.3 -1,-0.2 2,-0.0 2,-0.2 0.393 105.9 95.3 86.2 -4.6 34.1 12.8 -7.9 140 147 A S S X S- 0 0 10 -3,-1.8 3,-2.1 58,-0.1 -1,-0.3 -0.538 97.9 -90.3-108.3 179.1 35.9 14.3 -4.9 141 148 A V T 3 S+ 0 0 15 56,-2.2 57,-0.1 1,-0.3 15,-0.1 0.694 125.7 63.9 -62.1 -17.8 37.5 17.6 -4.2 142 149 A Y T 3 S+ 0 0 0 -5,-0.3 2,-0.9 55,-0.3 -11,-0.4 0.291 75.6 102.9 -91.0 10.0 40.7 16.0 -5.6 143 150 A D S < S+ 0 0 84 -3,-2.1 3,-0.1 1,-0.1 -5,-0.1 -0.837 92.4 12.9 -92.6 104.3 39.1 15.5 -9.0 144 151 A G S S+ 0 0 56 -2,-0.9 -1,-0.1 1,-0.4 -2,-0.1 -0.385 98.1 105.5 126.0 -57.0 40.6 18.3 -11.1 145 152 A P - 0 0 10 0, 0.0 -15,-2.3 0, 0.0 -1,-0.4 -0.155 66.7-119.0 -59.9 152.3 43.6 19.7 -9.0 146 153 A S B > -J 129 0C 24 -17,-0.3 4,-1.3 -16,-0.1 -19,-0.2 -0.428 23.0-110.9 -84.7 163.9 47.2 18.8 -9.9 147 154 A V H > S+ 0 0 0 -19,-2.4 4,-2.7 -21,-0.4 3,-0.2 0.879 120.4 56.5 -60.6 -37.4 49.6 17.0 -7.7 148 155 A L H > S+ 0 0 53 -22,-2.6 4,-2.5 -20,-0.3 173,-0.3 0.884 102.2 54.9 -63.7 -36.8 51.5 20.3 -7.3 149 156 A Q H 4>S+ 0 0 44 -23,-0.3 5,-2.6 2,-0.2 -1,-0.2 0.816 109.7 47.4 -66.6 -28.8 48.4 22.0 -6.0 150 157 A V H ><5S+ 0 0 0 -4,-1.3 3,-0.9 -3,-0.2 -2,-0.2 0.928 111.3 51.1 -71.7 -46.4 48.2 19.2 -3.4 151 158 A L H 3<5S+ 0 0 0 -4,-2.7 171,-1.5 1,-0.3 -2,-0.2 0.868 118.8 37.0 -54.9 -40.5 51.9 19.7 -2.6 152 159 A D T 3<5S- 0 0 15 -4,-2.5 -1,-0.3 169,-0.2 -2,-0.2 0.402 107.6-127.5 -94.9 -0.3 51.4 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 0.915 58.2 145.4 52.1 52.4 48.0 23.0 -0.5 154 161 A Q < + 0 0 27 -5,-2.6 50,-2.3 52,-0.3 2,-0.4 -0.361 32.0 108.9-113.6 49.4 46.2 25.4 -2.9 155 162 A I B -K 203 0D 2 52,-0.3 2,-0.5 48,-0.2 48,-0.2 -0.994 68.1-127.6-127.3 128.3 42.9 23.6 -3.1 156 163 A S + 0 0 34 46,-2.3 45,-0.5 -2,-0.4 2,-0.4 -0.639 37.8 177.4 -76.6 122.3 39.7 24.9 -1.5 157 164 A I - 0 0 8 -2,-0.5 2,-1.4 42,-0.2 42,-0.3 -0.984 38.4-126.3-132.1 135.3 38.3 22.1 0.7 158 165 A D + 0 0 107 40,-3.2 40,-0.4 -2,-0.4 2,-0.4 -0.678 55.0 148.0 -77.1 94.0 35.2 21.9 3.0 159 166 A Y - 0 0 13 -2,-1.4 2,-0.3 38,-0.1 -2,-0.1 -0.841 39.3-147.2-139.7 94.0 37.2 20.7 6.0 160 167 A N - 0 0 61 -2,-0.4 10,-2.2 7,-0.1 11,-0.3 -0.476 8.6-168.1 -68.3 123.9 35.9 21.9 9.4 161 168 A E + 0 0 99 -2,-0.3 2,-1.7 8,-0.1 -1,-0.1 0.298 52.5 115.6 -96.2 6.5 38.8 22.4 11.8 162 169 A D > - 0 0 82 1,-0.2 3,-1.6 2,-0.1 6,-0.3 -0.593 46.7-174.5 -77.9 87.4 36.5 22.6 14.9 163 170 A Y T 3 S+ 0 0 71 -2,-1.7 -1,-0.2 1,-0.3 5,-0.1 0.799 72.5 64.6 -61.9 -34.7 37.9 19.5 16.5 164 171 A V T 3 S+ 0 0 120 -3,-0.1 -1,-0.3 2,-0.1 -2,-0.1 0.769 86.5 83.5 -62.6 -25.6 35.5 19.4 19.4 165 172 A D S X S- 0 0 58 -3,-1.6 3,-2.0 1,-0.2 6,-0.4 -0.707 72.1-153.9 -79.6 113.9 32.7 18.9 17.0 166 173 A P T 3 S+ 0 0 44 0, 0.0 -1,-0.2 0, 0.0 17,-0.1 0.741 95.3 61.1 -60.5 -20.6 32.6 15.1 16.2 167 174 A A T 3 S+ 0 0 69 -5,-0.1 -7,-0.1 4,-0.1 -4,-0.1 0.659 82.1 110.9 -78.4 -16.3 31.0 16.0 12.9 168 175 A S S <> S- 0 0 0 -3,-2.0 4,-2.3 -6,-0.3 5,-0.2 -0.221 74.6-129.9 -60.9 146.6 34.1 18.0 11.9 169 176 A E H > S+ 0 0 50 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.868 106.6 59.4 -62.4 -35.8 36.3 16.7 9.1 170 177 A V H > S+ 0 0 19 -10,-2.2 4,-1.4 1,-0.2 -1,-0.2 0.911 111.6 37.2 -65.9 -41.2 39.3 17.1 11.3 171 178 A Q H > S+ 0 0 9 -6,-0.4 4,-2.4 -11,-0.3 -1,-0.2 0.884 115.4 53.9 -76.8 -36.8 38.0 14.8 14.0 172 179 A T H X S+ 0 0 21 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.878 105.5 56.0 -61.8 -36.5 36.4 12.4 11.6 173 180 A H H X S+ 0 0 0 -4,-2.5 4,-1.0 1,-0.2 -1,-0.2 0.932 108.3 47.0 -59.4 -47.4 39.8 12.2 9.9 174 181 A D H >X>S+ 0 0 18 -4,-1.4 5,-2.5 1,-0.2 6,-0.8 0.902 111.9 50.1 -62.5 -41.9 41.4 11.1 13.1 175 182 A R H ><5S+ 0 0 11 -4,-2.4 3,-0.6 1,-0.2 -1,-0.2 0.887 107.9 53.3 -66.5 -37.5 38.7 8.5 13.8 176 183 A S H 3<5S+ 0 0 3 -4,-2.4 76,-0.3 1,-0.2 -1,-0.2 0.747 113.9 43.9 -66.0 -23.4 39.1 7.1 10.3 177 184 A A H <<5S- 0 0 1 -4,-1.0 -1,-0.2 -3,-0.5 -2,-0.2 0.459 118.5-103.8-106.5 -5.3 42.8 6.6 10.9 178 185 A G T <<5S+ 0 0 57 -4,-0.8 -3,-0.2 -3,-0.6 -4,-0.1 0.554 89.7 113.5 96.4 9.3 42.8 5.2 14.4 179 186 A W S - 0 0 139 -11,-0.1 3,-2.0 -17,-0.1 -1,-0.0 -0.855 36.0 -84.5-110.5 154.8 31.9 6.2 15.7 184 191 A H T 3 S+ 0 0 198 -2,-0.3 -1,-0.0 1,-0.3 0, 0.0 -0.324 116.1 21.9 -57.9 131.5 29.2 4.3 13.9 185 192 A G T 3 S+ 0 0 68 1,-0.3 -1,-0.3 -2,-0.0 3,-0.1 0.327 88.5 141.9 95.0 -8.2 29.1 5.2 10.2 186 193 A D < - 0 0 19 -3,-2.0 -1,-0.3 1,-0.1 -4,-0.0 -0.239 64.1 -87.9 -64.6 153.2 32.7 6.5 10.1 187 194 A P - 0 0 14 0, 0.0 -1,-0.1 0, 0.0 3,-0.0 -0.309 36.1-124.6 -61.2 151.0 34.8 5.7 7.0 188 195 A A S S- 0 0 44 -3,-0.1 64,-0.3 1,-0.1 2,-0.3 0.800 81.1 -9.4 -70.3 -29.8 36.6 2.4 7.3 189 196 A D S > S- 0 0 20 62,-0.1 4,-2.0 63,-0.1 -12,-0.2 -0.895 82.4 -82.2-157.7-179.9 40.0 3.8 6.8 190 197 A T H > S+ 0 0 1 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.871 121.5 56.1 -66.0 -37.9 42.0 6.9 5.7 191 198 A Y H > S+ 0 0 4 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.936 108.3 47.4 -59.0 -47.6 41.5 6.3 2.0 192 199 A E H > S+ 0 0 72 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.918 109.6 53.6 -62.4 -43.1 37.7 6.1 2.3 193 200 A F H >< S+ 0 0 2 -4,-2.0 3,-1.4 1,-0.2 4,-0.4 0.910 105.3 54.5 -56.2 -44.0 37.7 9.3 4.4 194 201 A L H >< S+ 0 0 0 -4,-2.2 3,-1.5 1,-0.3 -1,-0.2 0.880 102.2 57.3 -60.7 -37.3 39.6 11.2 1.7 195 202 A T H 3< S+ 0 0 25 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.658 98.7 61.9 -68.7 -14.5 37.1 10.2 -1.0 196 203 A T T << S+ 0 0 68 -3,-1.4 -1,-0.3 -4,-0.6 -2,-0.2 0.557 80.1 111.1 -86.5 -8.4 34.3 11.9 1.1 197 204 A L < - 0 0 3 -3,-1.5 -56,-2.2 -4,-0.4 -55,-0.3 -0.445 44.4-177.8 -77.4 138.6 35.9 15.3 0.9 198 205 A R + 0 0 128 -40,-0.4 -40,-3.2 -58,-0.2 2,-0.3 -0.867 7.2 174.5-129.2 161.9 34.3 18.1 -1.2 199 206 A G - 0 0 34 -2,-0.3 -42,-0.2 -42,-0.3 -43,-0.0 -0.952 46.8 -97.5-157.1 174.5 35.0 21.7 -2.1 200 207 A D - 0 0 121 -2,-0.3 3,-0.1 2,-0.1 -43,-0.1 0.511 62.2-110.0 -80.7 -2.6 33.7 24.5 -4.3 201 208 A G S S+ 0 0 64 -45,-0.5 2,-0.1 1,-0.3 -1,-0.1 0.235 74.6 131.6 99.7 -13.8 36.2 23.7 -7.0 202 209 A S + 0 0 57 -47,-0.1 -46,-2.3 -46,-0.0 -1,-0.3 -0.407 29.6 177.8 -75.9 149.1 38.4 26.7 -6.6 203 210 A T B +K 155 0D 67 -48,-0.2 -48,-0.2 -2,-0.1 3,-0.1 -0.853 44.5 71.6-137.1 172.4 42.1 26.5 -6.4 204 211 A G S S+ 0 0 36 -50,-2.3 2,-0.4 1,-0.3 -49,-0.1 0.086 75.5 93.8 107.3 -23.6 45.1 28.8 -6.2 205 212 A E S S- 0 0 109 -51,-0.2 -1,-0.3 100,-0.0 100,-0.2 -0.865 80.9-109.3-103.5 138.2 44.7 30.0 -2.6 206 213 A F + 0 0 13 98,-2.6 2,-0.4 -2,-0.4 100,-0.3 -0.412 37.1 174.1 -63.3 129.6 46.5 28.3 0.3 207 214 A Q - 0 0 52 -54,-2.9 2,-0.4 -2,-0.2 -52,-0.3 -0.901 28.5-136.0-135.3 113.7 44.4 26.3 2.6 208 215 A Y + 0 0 70 -2,-0.4 2,-0.3 -54,-0.1 -55,-0.0 -0.530 40.2 159.5 -68.0 118.5 46.3 24.3 5.2 209 216 A C >> - 0 0 1 -2,-0.4 3,-1.7 1,-0.1 4,-0.5 -0.915 42.0-147.2-152.0 120.0 44.6 20.9 5.3 210 217 A S H >> S+ 0 0 19 -2,-0.3 4,-1.4 1,-0.3 3,-0.5 0.743 94.6 72.0 -57.7 -27.4 45.9 17.5 6.5 211 218 A A H 3> S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.840 88.2 63.7 -59.1 -32.6 44.0 15.6 3.8 212 219 A N H <> S+ 0 0 0 -3,-1.7 4,-1.9 1,-0.2 -1,-0.2 0.914 101.4 48.7 -59.0 -44.2 46.4 16.9 1.2 213 220 A T H > - 0 0 27 -2,-0.3 4,-2.8 -220,-0.2 3,-0.7 -0.403 35.2-117.8 -53.1 142.2 53.1 0.6 1.6 228 235 A Y H 3> S+ 0 0 0 1,-0.3 4,-2.9 2,-0.2 5,-0.2 0.883 116.8 62.5 -55.9 -36.4 53.8 4.3 2.6 229 236 A V H 3> S+ 0 0 42 25,-0.3 4,-0.9 1,-0.2 -1,-0.3 0.911 110.4 38.1 -50.6 -45.9 55.5 2.8 5.7 230 237 A E H <> S+ 0 0 96 -3,-0.7 4,-3.2 2,-0.2 3,-0.3 0.893 113.5 54.6 -76.7 -40.0 58.0 1.2 3.4 231 238 A A H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 5,-0.4 0.890 104.0 56.1 -60.4 -38.6 58.3 4.1 0.9 232 239 A L H X>S+ 0 0 12 -4,-2.9 5,-2.7 -5,-0.2 4,-0.6 0.852 114.4 40.6 -63.4 -33.6 59.1 6.5 3.7 233 240 A S H <>S+ 0 0 52 -4,-0.9 5,-2.8 -3,-0.3 6,-0.3 0.951 116.9 46.7 -73.2 -54.8 62.0 4.2 4.6 234 241 A T H <5S+ 0 0 60 -4,-3.2 -2,-0.2 1,-0.2 -3,-0.2 0.881 122.0 33.5 -60.1 -42.5 63.2 3.4 1.1 235 242 A Y H <5S- 0 0 19 -4,-2.7 -1,-0.2 -5,-0.2 -3,-0.2 0.612 139.8 -2.4 -94.0 -12.9 63.1 7.0 -0.3 236 243 A L T ><5S+ 0 0 0 -4,-0.6 3,-1.8 -5,-0.4 4,-0.5 0.501 120.9 48.8-136.6 -67.5 64.1 8.8 2.9 237 244 A W G > XS+ 0 0 20 -5,-2.7 3,-1.4 1,-0.3 5,-0.6 0.855 107.8 53.5 -62.8 -40.1 64.7 7.2 6.3 238 245 A A G 3 - 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