==== 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 14-APR-08 2ZMA . COMPND 2 MOLECULE: 6-AMINOHEXANOATE-DIMER HYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: FLAVOBACTERIUM SP.; . AUTHOR T.OHKI,N.SHIBATA,Y.HIGUCHI,M.TAKEO,S.NEGORO . 384 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16703.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 254 66.1 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 . 98 25.5 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 2 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 0 154 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 134.7 35.6 1.7 -3.4 2 6 A T - 0 0 23 1,-0.3 134,-0.2 135,-0.0 135,-0.1 0.315 360.0-133.3-109.2 6.0 39.1 3.1 -3.0 3 7 A G - 0 0 34 133,-0.1 -1,-0.3 132,-0.1 2,-0.2 -0.212 52.0 -5.9 79.6-166.2 40.9 0.8 -5.4 4 8 A Q - 0 0 162 10,-0.0 3,-0.0 218,-0.0 0, 0.0 -0.416 60.0-178.7 -72.7 133.8 44.1 -1.1 -5.1 5 9 A H - 0 0 52 -2,-0.2 2,-0.1 220,-0.0 222,-0.1 -0.933 38.8 -88.0-127.4 155.7 46.3 -0.6 -2.0 6 10 A P - 0 0 27 0, 0.0 220,-0.1 0, 0.0 222,-0.1 -0.402 50.6-111.5 -63.6 133.1 49.7 -2.1 -1.0 7 11 A A - 0 0 45 218,-0.2 220,-0.2 1,-0.1 7,-0.1 -0.318 15.3-124.8 -65.5 146.3 49.2 -5.4 0.8 8 12 A R S S+ 0 0 13 8,-0.6 -1,-0.1 5,-0.3 219,-0.1 0.861 97.5 0.8 -59.9 -35.6 50.2 -5.4 4.5 9 13 A Y S > S- 0 0 26 7,-0.2 3,-2.5 4,-0.1 -1,-0.2 -0.956 106.8 -65.5-143.9 162.9 52.4 -8.4 3.6 10 14 A P T 3 S+ 0 0 130 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 -0.274 122.2 6.7 -53.4 118.3 53.2 -10.2 0.3 11 15 A G T 3 S+ 0 0 81 1,-0.3 2,-0.0 -2,-0.1 -3,-0.0 0.377 91.1 151.1 92.1 -4.3 50.1 -12.0 -0.9 12 16 A A < - 0 0 15 -3,-2.5 -1,-0.3 1,-0.1 3,-0.1 -0.333 45.4-120.7 -64.2 139.7 47.8 -10.5 1.7 13 17 A A > - 0 0 62 1,-0.2 3,-2.0 -6,-0.1 -5,-0.3 -0.284 50.9 -67.6 -68.7 164.6 44.1 -10.0 0.8 14 18 A A T 3 S+ 0 0 106 1,-0.3 -1,-0.2 -7,-0.1 -7,-0.1 -0.323 120.9 3.4 -57.9 128.6 42.6 -6.5 0.9 15 19 A G T 3 S+ 0 0 41 1,-0.2 -1,-0.3 238,-0.2 239,-0.1 0.509 99.3 176.5 77.5 3.7 42.4 -5.2 4.5 16 20 A E < + 0 0 55 -3,-2.0 -8,-0.6 237,-0.1 -7,-0.2 -0.769 45.6 32.3-101.3 142.4 44.1 -8.2 6.0 17 21 A P S S- 0 0 0 0, 0.0 2,-0.2 0, 0.0 -2,-0.0 0.595 71.5-177.9 -85.9 166.6 44.9 -8.8 8.7 18 22 A T >> - 0 0 58 -2,-0.1 4,-1.4 235,-0.0 3,-1.2 -0.615 48.7 -92.5-108.6 177.8 42.4 -7.2 11.0 19 23 A L T 34 S+ 0 0 108 1,-0.3 4,-0.1 -2,-0.2 19,-0.0 0.783 128.9 48.6 -60.7 -24.4 42.4 -7.1 14.8 20 24 A D T 34 S+ 0 0 150 1,-0.1 -1,-0.3 2,-0.1 3,-0.0 0.536 117.2 36.8 -95.1 -6.7 40.2 -10.2 14.6 21 25 A S T X4 S+ 0 0 9 -3,-1.2 3,-2.1 2,-0.1 6,-0.2 0.484 79.9 98.9-122.7 -4.6 42.2 -12.2 12.1 22 26 A W T 3< S+ 0 0 37 -4,-1.4 9,-0.2 1,-0.3 10,-0.2 0.693 82.3 57.4 -66.8 -17.0 45.9 -11.7 12.8 23 27 A Q T 3 S+ 0 0 134 -4,-0.1 -1,-0.3 8,-0.1 -2,-0.1 0.526 95.0 85.6 -86.8 -5.8 46.3 -14.9 14.8 24 28 A E S <> S- 0 0 106 -3,-2.1 4,-1.8 1,-0.1 3,-0.4 -0.610 86.3 -70.4 -95.9 154.1 45.1 -16.9 11.9 25 29 A P T 4 S+ 0 0 99 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 -0.548 110.9 20.5 -79.3 151.5 47.2 -18.3 9.0 26 30 A P T >> S+ 0 0 85 0, 0.0 3,-0.8 0, 0.0 4,-0.6 -0.989 125.4 53.2 -85.7 -0.3 48.6 -17.0 6.7 27 31 A H H >> S+ 0 0 15 -3,-0.4 4,-2.7 1,-0.2 3,-0.8 0.812 94.3 70.3 -63.3 -33.8 48.5 -13.6 8.5 28 32 A N H 3X S+ 0 0 36 -4,-1.8 4,-2.5 1,-0.3 -1,-0.2 0.776 87.0 63.4 -66.7 -26.2 50.1 -14.8 11.7 29 33 A R H <4 S+ 0 0 218 -3,-0.8 4,-0.3 1,-0.2 -1,-0.3 0.923 115.3 33.8 -60.0 -42.0 53.6 -15.3 10.2 30 34 A W H X< S+ 0 0 30 -3,-0.8 3,-1.3 -4,-0.6 4,-0.4 0.927 117.8 53.1 -74.5 -46.3 53.7 -11.6 9.5 31 35 A A H >< S+ 0 0 0 -4,-2.7 3,-1.4 1,-0.3 -2,-0.2 0.850 100.4 59.7 -64.7 -36.1 51.8 -10.4 12.6 32 36 A F T 3< S+ 0 0 133 -4,-2.5 -1,-0.3 1,-0.3 3,-0.2 0.722 110.9 43.5 -66.4 -18.5 53.9 -12.3 15.1 33 37 A A T < S+ 0 0 74 -3,-1.3 -1,-0.3 -4,-0.3 -2,-0.2 0.428 126.2 31.5-100.6 -1.8 56.9 -10.3 13.8 34 38 A H X + 0 0 82 -3,-1.4 3,-2.2 -4,-0.4 4,-0.3 -0.078 67.9 142.0-145.9 36.7 55.0 -7.0 13.7 35 39 A L G >> + 0 0 63 1,-0.3 4,-2.6 -3,-0.2 3,-2.1 0.762 65.7 69.3 -65.0 -24.9 52.4 -7.0 16.5 36 40 A G G 34 S+ 0 0 54 1,-0.3 -1,-0.3 2,-0.2 5,-0.2 0.720 91.5 63.0 -64.1 -20.2 52.8 -3.4 17.4 37 41 A E G <4 S+ 0 0 49 -3,-2.2 -1,-0.3 -6,-0.2 -2,-0.2 0.594 115.4 30.8 -73.4 -14.9 51.2 -2.6 14.0 38 42 A M T <4 S+ 0 0 28 -3,-2.1 -2,-0.2 1,-0.3 -1,-0.1 0.744 124.0 32.7-111.9 -39.4 48.0 -4.3 15.2 39 43 A V S < S- 0 0 49 -4,-2.6 -1,-0.3 -20,-0.0 0, 0.0 -0.975 87.4-101.1-131.2 134.5 47.9 -3.8 19.0 40 44 A P - 0 0 128 0, 0.0 2,-0.3 0, 0.0 -3,-0.1 -0.270 50.7-172.8 -55.3 138.8 49.0 -0.9 21.2 41 45 A S - 0 0 88 -5,-0.2 2,-0.3 -4,-0.0 -5,-0.0 -0.984 19.3-142.4-144.9 146.5 52.3 -1.9 22.8 42 46 A A - 0 0 93 -2,-0.3 2,-0.3 1,-0.0 -6,-0.0 -0.824 24.7-113.8-111.6 148.6 54.8 -0.6 25.4 43 47 A A - 0 0 103 -2,-0.3 2,-0.7 1,-0.0 -1,-0.0 -0.598 16.7-149.9 -76.9 137.0 58.6 -0.8 25.4 44 48 A V - 0 0 141 -2,-0.3 -1,-0.0 2,-0.0 -2,-0.0 -0.930 31.9-125.4-106.4 106.0 60.2 -3.0 28.1 45 49 A S - 0 0 88 -2,-0.7 -2,-0.0 1,-0.1 0, 0.0 -0.223 21.1-161.4 -68.5 135.8 63.5 -1.2 28.7 46 50 A R S S+ 0 0 206 2,-0.0 -1,-0.1 -2,-0.0 -2,-0.0 0.533 76.0 82.9 -81.2 -8.8 66.8 -2.9 28.5 47 51 A R 0 0 118 1,-0.1 -2,-0.1 0, 0.0 0, 0.0 -0.837 360.0 360.0-103.0 133.3 68.3 -0.0 30.5 48 52 A P 0 0 184 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.718 360.0 360.0 -62.2 360.0 68.1 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 0 107 0, 0.0 2,-0.3 0, 0.0 43,-0.2 0.000 360.0 360.0 360.0 -12.4 65.2 12.1 36.4 51 58 A H - 0 0 150 41,-0.1 43,-0.3 44,-0.0 44,-0.1 -0.980 360.0 -98.2-138.3 151.9 66.8 15.4 35.6 52 59 A A - 0 0 32 -2,-0.3 2,-0.6 41,-0.2 40,-0.2 -0.378 29.8-136.0 -66.8 143.0 67.0 17.6 32.6 53 60 A L E -A 91 0A 63 38,-2.9 38,-2.4 42,-0.2 2,-0.6 -0.917 25.1-177.1-101.1 116.9 70.1 17.4 30.4 54 61 A A E +A 90 0A 42 -2,-0.6 36,-0.2 36,-0.2 2,-0.1 -0.930 21.6 152.0-121.7 108.4 71.3 20.8 29.4 55 62 A R E +A 89 0A 156 34,-3.0 34,-2.0 -2,-0.6 35,-0.1 -0.570 11.9 152.2-128.1 67.2 74.3 21.2 27.1 56 63 A L > + 0 0 17 32,-0.3 3,-0.7 1,-0.2 4,-0.5 0.545 27.6 176.8 -83.9 -6.9 73.5 24.5 25.4 57 64 A G T > + 0 0 51 1,-0.2 3,-1.1 2,-0.2 4,-0.4 -0.042 55.4 1.6 57.3-132.3 77.2 25.1 24.9 58 65 A A T >> S+ 0 0 60 29,-0.6 3,-1.7 1,-0.3 4,-0.6 0.887 125.6 59.2 -65.1 -43.9 78.3 28.2 23.0 59 66 A I H <> S+ 0 0 2 -3,-0.7 4,-2.1 28,-0.3 -1,-0.3 0.617 88.6 79.0 -65.4 -9.9 74.9 29.8 22.4 60 67 A A H <4 S+ 0 0 38 -3,-1.1 -1,-0.3 -4,-0.5 6,-0.2 0.846 87.8 55.3 -65.8 -34.5 74.5 29.9 26.2 61 68 A A H <4 S+ 0 0 89 -3,-1.7 -1,-0.2 -4,-0.4 -2,-0.2 0.859 114.4 38.8 -67.5 -36.2 76.7 33.0 26.4 62 69 A Q H < S+ 0 0 102 -4,-0.6 -2,-0.2 1,-0.3 -1,-0.2 0.747 128.3 34.8 -85.1 -26.4 74.5 34.9 23.9 63 70 A L >< + 0 0 21 -4,-2.1 3,-1.8 1,-0.1 -1,-0.3 -0.649 68.0 168.1-127.7 74.8 71.3 33.4 25.3 64 71 A P T 3 S+ 0 0 102 0, 0.0 3,-0.3 0, 0.0 4,-0.2 0.796 79.7 47.0 -56.6 -32.3 71.8 33.1 29.1 65 72 A D T 3> S+ 0 0 102 1,-0.2 4,-1.9 2,-0.1 3,-0.2 0.188 77.5 114.3 -96.8 17.0 68.1 32.4 29.8 66 73 A L H <> S+ 0 0 2 -3,-1.8 4,-2.4 1,-0.2 5,-0.2 0.897 72.4 52.9 -58.6 -45.0 67.7 29.9 27.0 67 74 A E H > S+ 0 0 72 -3,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.910 109.8 49.6 -59.5 -41.3 67.0 26.9 29.3 68 75 A Q H > S+ 0 0 101 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.887 109.8 51.1 -62.5 -39.2 64.3 28.8 31.1 69 76 A R H X S+ 0 0 62 -4,-1.9 4,-1.0 2,-0.2 -2,-0.2 0.854 108.9 51.5 -68.4 -34.1 62.7 29.8 27.7 70 77 A L H <>S+ 0 0 0 -4,-2.4 5,-2.4 2,-0.2 3,-0.4 0.908 110.5 48.4 -67.2 -41.8 62.8 26.1 26.6 71 78 A E H ><5S+ 0 0 107 -4,-2.3 3,-1.9 1,-0.2 -2,-0.2 0.912 106.9 56.8 -61.4 -42.6 61.0 25.1 29.9 72 79 A Q H 3<5S+ 0 0 97 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.769 108.1 47.7 -63.4 -26.0 58.4 27.9 29.3 73 80 A T T 3<5S- 0 0 1 -4,-1.0 -1,-0.3 -3,-0.4 285,-0.3 0.049 117.3-110.9-104.3 25.0 57.5 26.4 25.9 74 81 A Y T < 5 - 0 0 115 -3,-1.9 284,-2.2 1,-0.2 2,-0.2 0.857 48.2-171.6 55.4 42.5 57.2 22.9 27.2 75 82 A T E < +B 357 0A 4 -5,-2.4 282,-0.3 282,-0.2 -1,-0.2 -0.469 21.5 174.3 -71.8 131.5 60.3 21.7 25.4 76 83 A D E S+ 0 0 6 280,-3.0 16,-2.0 1,-0.4 2,-0.3 0.787 72.8 7.5-100.8 -43.5 61.0 18.0 25.4 77 84 A A E +BC 356 91A 0 279,-2.4 279,-3.1 14,-0.2 -1,-0.4 -0.999 62.2 178.3-142.2 140.3 64.0 17.8 23.1 78 85 A F E +BC 355 90A 0 12,-2.4 12,-2.5 -2,-0.3 2,-0.3 -0.992 7.3 170.5-143.6 131.4 66.1 20.6 21.6 79 86 A L E -BC 354 89A 0 275,-2.4 275,-2.9 -2,-0.4 2,-0.5 -0.989 17.6-159.1-148.6 134.9 69.1 20.2 19.3 80 87 A V E -BC 353 88A 0 8,-2.6 7,-2.4 -2,-0.3 8,-1.1 -0.965 6.7-168.1-116.5 122.3 71.2 22.5 17.2 81 88 A L E -BC 352 86A 1 271,-2.9 271,-2.6 -2,-0.5 2,-0.6 -0.943 1.0-171.1-109.5 113.6 73.3 21.0 14.3 82 89 A R E > S-BC 351 85A 106 3,-2.7 3,-2.0 -2,-0.6 2,-0.4 -0.923 70.1 -41.8-105.0 113.9 75.8 23.5 12.9 83 90 A G T 3 S- 0 0 15 267,-2.5 269,-0.1 -2,-0.6 194,-0.1 -0.585 125.0 -28.7 63.4-122.4 77.3 21.9 9.8 84 91 A T T 3 S+ 0 0 123 -2,-0.4 2,-0.4 2,-0.0 -1,-0.3 0.372 121.3 95.3-101.8 2.2 77.9 18.3 10.8 85 92 A E E < S- C 0 82A 114 -3,-2.0 -3,-2.7 2,-0.0 2,-0.7 -0.799 71.1-133.9-106.1 133.2 78.4 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 -0.744 31.1 171.8 -77.1 114.0 75.9 19.0 17.4 87 94 A V E + 0 0 21 -7,-2.4 -29,-0.6 -2,-0.7 2,-0.3 0.528 60.6 19.4-107.7 -9.5 76.6 22.3 19.1 88 95 A A E + C 0 80A 2 -8,-1.1 -8,-2.6 -31,-0.1 2,-0.3 -0.949 61.2 176.4-159.6 142.7 73.8 22.4 21.6 89 96 A E E +AC 55 79A 35 -34,-2.0 -34,-3.0 -2,-0.3 2,-0.3 -0.996 4.4 178.2-145.4 146.4 71.3 20.0 23.2 90 97 A Y E +AC 54 78A 8 -12,-2.5 -12,-2.4 -2,-0.3 2,-0.4 -0.964 0.6 177.7-147.4 135.2 68.6 20.0 25.8 91 98 A Y E -AC 53 77A 2 -38,-2.4 -38,-2.9 -2,-0.3 -14,-0.2 -0.994 28.3-122.8-135.8 132.1 66.3 17.2 27.0 92 99 A R > - 0 0 95 -16,-2.0 3,-2.0 -2,-0.4 -41,-0.1 -0.155 44.5 -78.9 -65.6 161.8 63.7 17.5 29.7 93 100 A A T 3 S+ 0 0 46 1,-0.2 -41,-0.2 -43,-0.2 -1,-0.2 -0.428 122.1 25.5 -55.8 130.8 63.7 15.4 32.8 94 101 A G T 3 S+ 0 0 61 -43,-0.3 2,-0.5 1,-0.1 -1,-0.2 0.338 101.8 96.1 95.2 -7.5 62.2 12.0 31.9 95 102 A F < - 0 0 20 -3,-2.0 -42,-0.2 -19,-0.1 -1,-0.1 -0.960 63.8-148.2-120.1 115.9 63.1 12.2 28.2 96 103 A A > - 0 0 31 -2,-0.5 3,-2.1 1,-0.1 -4,-0.1 -0.450 25.3-113.8 -81.5 152.7 66.3 10.5 27.1 97 104 A P T 3 S+ 0 0 58 0, 0.0 170,-0.4 0, 0.0 169,-0.4 0.801 118.6 44.3 -53.8 -31.2 68.4 11.8 24.2 98 105 A D T 3 S+ 0 0 45 167,-0.1 2,-0.2 168,-0.1 167,-0.1 0.263 87.7 114.7-102.2 11.6 67.6 8.7 22.2 99 106 A D < - 0 0 57 -3,-2.1 167,-0.4 1,-0.1 2,-0.2 -0.504 65.8-121.8 -73.9 150.4 63.9 8.6 23.0 100 107 A R - 0 0 85 -2,-0.2 2,-0.4 165,-0.2 165,-0.2 -0.640 23.9-161.1 -93.9 154.7 61.5 9.2 20.1 101 108 A H E -H 264 0B 21 163,-2.2 163,-1.7 -2,-0.2 2,-0.1 -0.997 27.4-102.8-138.5 137.8 58.9 12.0 20.0 102 109 A L E -H 263 0B 54 -2,-0.4 161,-0.3 161,-0.2 159,-0.1 -0.346 25.9-160.0 -58.3 135.6 55.8 12.6 17.9 103 110 A L > - 0 0 0 159,-3.2 3,-2.0 1,-0.2 158,-0.1 0.593 12.5-167.5 -95.1 -13.8 56.4 15.0 15.0 104 111 A M T > S- 0 0 26 156,-0.8 3,-2.4 158,-0.4 158,-0.4 -0.305 74.6 -7.1 47.3-137.6 52.9 16.0 14.3 105 112 A A T >> S+ 0 0 12 1,-0.3 3,-1.3 2,-0.2 4,-0.7 0.511 116.6 83.7 -74.1 -0.5 52.9 17.9 11.0 106 113 A V H X> S+ 0 0 0 -3,-2.0 4,-1.1 1,-0.2 3,-0.8 0.826 82.6 71.6 -58.3 -25.4 56.7 18.0 10.7 107 114 A S H <> S+ 0 0 0 -3,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.830 85.7 63.3 -53.5 -35.1 55.7 14.6 9.3 108 115 A K H <> S+ 0 0 3 -3,-1.3 4,-2.8 151,-0.5 -1,-0.2 0.875 97.0 54.6 -62.0 -38.2 54.3 16.4 6.3 109 116 A S H S+ 0 0 0 -4,-1.7 5,-2.6 2,-0.2 6,-1.1 0.783 108.3 54.3 -75.1 -27.3 59.5 10.3 -7.0 119 126 A V H ><5S+ 0 0 37 -4,-1.9 3,-1.1 4,-0.2 -1,-0.2 0.899 106.0 52.9 -67.4 -40.5 59.3 13.5 -9.1 120 127 A D H 3<5S+ 0 0 88 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.840 108.5 50.7 -63.0 -33.1 63.1 13.3 -9.6 121 128 A E T 3<5S- 0 0 104 -4,-1.3 -1,-0.3 -5,-0.1 -2,-0.2 0.561 115.9-118.4 -80.5 -9.8 62.6 9.7 -10.9 122 129 A G T < 5S+ 0 0 64 -3,-1.1 -3,-0.2 -4,-0.3 -2,-0.1 0.663 84.4 116.6 81.4 16.7 59.9 10.9 -13.2 123 130 A R S - 0 0 73 -2,-0.4 3,-2.1 1,-0.1 22,-0.3 -0.947 10.9-154.0-109.1 109.3 54.5 14.9 -12.6 126 133 A P T 3 S+ 0 0 24 0, 0.0 22,-2.6 0, 0.0 23,-0.3 0.719 92.3 62.4 -54.2 -23.3 53.3 17.7 -10.3 127 134 A A T 3 S+ 0 0 78 20,-0.2 22,-0.0 19,-0.2 -3,-0.0 0.688 87.0 93.8 -77.7 -18.2 51.4 19.3 -13.2 128 135 A Q S < S- 0 0 69 -3,-2.1 19,-2.4 1,-0.1 20,-0.3 -0.376 86.3-101.9 -75.9 152.1 49.2 16.3 -13.5 129 136 A P B > -J 146 0C 43 0, 0.0 3,-1.8 0, 0.0 4,-0.4 -0.395 27.6-117.2 -70.4 151.5 45.8 16.0 -11.8 130 137 A V G >> S+ 0 0 0 15,-2.1 4,-2.6 1,-0.3 3,-2.0 0.881 114.6 64.5 -51.2 -39.4 45.6 13.9 -8.6 131 138 A T G 34 S+ 0 0 33 11,-0.4 -1,-0.3 14,-0.3 7,-0.1 0.625 84.7 72.5 -67.6 -13.1 43.1 11.7 -10.5 132 139 A E G <4 S+ 0 0 114 -3,-1.8 -1,-0.3 2,-0.1 -2,-0.2 0.804 115.8 23.3 -64.1 -29.0 45.9 10.7 -12.9 133 140 A Y T <4 S+ 0 0 36 -3,-2.0 -2,-0.2 -4,-0.4 -1,-0.1 0.737 135.7 33.7-109.4 -34.9 47.3 8.7 -10.0 134 141 A V >< + 0 0 0 -4,-2.6 3,-2.1 -5,-0.1 -1,-0.2 -0.721 61.7 173.5-124.7 81.3 44.3 8.1 -7.9 135 142 A P G > S+ 0 0 63 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 0.782 74.2 72.1 -55.8 -28.3 41.3 7.7 -10.2 136 143 A E G 3 S+ 0 0 59 1,-0.3 -133,-0.1 -134,-0.2 -5,-0.1 0.561 81.9 70.7 -69.7 -7.6 39.1 6.8 -7.2 137 144 A L G X S+ 0 0 0 -3,-2.1 3,-1.9 5,-0.1 5,-0.3 0.417 70.2 123.8 -89.1 3.1 39.3 10.4 -6.0 138 145 A A T < S+ 0 0 61 -3,-1.9 3,-0.1 1,-0.3 4,-0.0 -0.347 70.8 29.7 -55.4 140.7 37.0 11.4 -8.9 139 146 A G T 3 S+ 0 0 52 1,-0.3 -1,-0.3 2,-0.0 2,-0.2 0.357 105.8 96.7 86.0 -7.2 33.9 13.1 -7.5 140 147 A S S X S- 0 0 10 -3,-1.9 3,-2.0 58,-0.1 -1,-0.3 -0.507 97.1 -92.0-104.5 178.1 35.8 14.5 -4.5 141 148 A V T 3 S+ 0 0 15 56,-2.0 57,-0.1 1,-0.3 15,-0.1 0.695 124.7 64.5 -62.9 -17.6 37.4 17.9 -3.9 142 149 A Y T 3 S+ 0 0 0 -5,-0.3 2,-0.9 55,-0.3 -11,-0.4 0.297 75.8 102.4 -90.6 9.7 40.6 16.3 -5.3 143 150 A D S < S+ 0 0 82 -3,-2.0 3,-0.1 1,-0.1 -5,-0.1 -0.841 92.5 13.2 -92.5 104.1 39.0 15.9 -8.7 144 151 A G S S+ 0 0 55 -2,-0.9 -1,-0.1 1,-0.5 -2,-0.1 -0.395 98.1 105.0 127.3 -57.4 40.5 18.7 -10.7 145 152 A P - 0 0 10 0, 0.0 -15,-2.1 0, 0.0 -1,-0.5 -0.151 67.5-119.6 -58.0 151.5 43.5 20.0 -8.7 146 153 A S B > -J 129 0C 23 -17,-0.3 4,-1.3 -16,-0.1 -19,-0.2 -0.461 23.3-110.3 -85.2 163.9 47.0 19.2 -9.7 147 154 A V H > S+ 0 0 0 -19,-2.4 4,-2.6 -22,-0.3 -20,-0.2 0.869 120.0 57.3 -60.8 -36.3 49.5 17.3 -7.5 148 155 A L H > S+ 0 0 52 -22,-2.6 4,-2.3 -20,-0.3 173,-0.3 0.895 102.2 54.0 -63.1 -38.0 51.5 20.5 -7.1 149 156 A Q H 4>S+ 0 0 43 -23,-0.3 5,-2.8 2,-0.2 -1,-0.2 0.821 108.9 49.0 -67.7 -29.2 48.4 22.2 -5.7 150 157 A V H ><5S+ 0 0 0 -4,-1.3 3,-1.4 3,-0.2 -2,-0.2 0.945 111.2 49.8 -67.2 -48.8 48.1 19.4 -3.1 151 158 A L H 3<5S+ 0 0 0 -4,-2.6 171,-1.6 1,-0.3 -2,-0.2 0.831 116.2 42.1 -56.3 -36.6 51.8 19.9 -2.3 152 159 A D T 3<5S- 0 0 14 -4,-2.3 -1,-0.3 169,-0.2 -2,-0.2 0.351 107.9-122.6 -96.1 3.4 51.4 23.6 -1.9 153 160 A M T < 5 + 0 0 0 -3,-1.4 54,-3.0 -4,-0.2 -3,-0.2 0.921 64.2 141.8 55.6 47.4 48.1 23.4 0.1 154 161 A Q < + 0 0 27 -5,-2.8 50,-2.3 52,-0.2 2,-0.4 -0.290 30.3 105.5-116.1 47.1 46.3 25.5 -2.5 155 162 A I B -K 203 0D 1 52,-0.4 2,-0.5 48,-0.2 48,-0.2 -0.993 68.0-128.5-128.2 129.8 42.9 23.8 -2.7 156 163 A S + 0 0 32 46,-2.2 45,-0.5 -2,-0.4 2,-0.4 -0.670 39.8 175.5 -78.5 121.1 39.7 25.1 -1.2 157 164 A I - 0 0 8 -2,-0.5 2,-2.0 42,-0.2 42,-0.3 -0.979 42.8-125.4-134.2 139.3 38.2 22.4 1.0 158 165 A D S S+ 0 0 110 40,-3.4 40,-0.4 -2,-0.4 2,-0.3 -0.597 71.1 122.1 -77.5 79.9 35.3 22.0 3.3 159 166 A Y - 0 0 11 -2,-2.0 2,-1.0 38,-0.1 -2,-0.1 -0.895 55.0-147.9-148.7 108.2 37.6 20.8 6.1 160 167 A N - 0 0 73 -2,-0.3 2,-1.9 7,-0.1 10,-1.2 -0.717 7.4-160.7 -84.2 104.9 37.7 22.7 9.4 161 168 A E + 0 0 33 -2,-1.0 2,-0.6 47,-0.2 -1,-0.1 -0.412 40.5 138.6 -86.3 61.4 41.2 22.2 10.7 162 169 A D > - 0 0 60 -2,-1.9 3,-0.7 3,-0.1 9,-0.2 -0.939 40.1-159.9-108.4 112.8 40.3 23.1 14.3 163 170 A Y T 3 S+ 0 0 60 -2,-0.6 -1,-0.1 1,-0.2 -2,-0.0 0.533 86.5 40.4 -77.9 -7.6 42.2 20.7 16.6 164 171 A V T 3 S+ 0 0 96 197,-0.0 -1,-0.2 3,-0.0 3,-0.0 0.483 87.8 100.3-116.2 -7.2 40.0 21.1 19.7 165 172 A D X - 0 0 52 -3,-0.7 3,-1.6 1,-0.1 6,-0.4 -0.718 57.9-157.0 -83.9 114.6 36.5 21.2 18.0 166 173 A P T 3 S+ 0 0 77 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.659 93.0 54.9 -64.9 -14.3 34.8 17.8 18.4 167 174 A A T 3 S+ 0 0 78 4,-0.1 -7,-0.1 5,-0.0 -2,-0.0 0.495 87.7 110.4 -94.5 -4.7 32.6 18.6 15.4 168 175 A S S X> S- 0 0 1 -3,-1.6 4,-1.3 -6,-0.2 3,-0.5 -0.229 78.2-119.8 -76.3 159.6 35.5 19.3 13.0 169 176 A E H 3> S+ 0 0 55 -9,-0.3 4,-2.7 1,-0.2 5,-0.1 0.741 110.5 67.6 -66.2 -24.4 36.7 17.3 10.1 170 177 A V H 3> S+ 0 0 5 -10,-1.2 4,-2.4 2,-0.2 -1,-0.2 0.896 100.9 47.1 -64.6 -38.0 40.1 17.0 11.8 171 178 A Q H <> S+ 0 0 17 -3,-0.5 4,-2.7 -6,-0.4 -1,-0.2 0.884 111.2 50.5 -71.9 -36.3 38.5 14.8 14.5 172 179 A T H X S+ 0 0 31 -4,-1.3 4,-2.5 2,-0.2 -2,-0.2 0.911 110.1 51.4 -63.0 -41.1 36.7 12.7 11.8 173 180 A H H X S+ 0 0 1 -4,-2.7 4,-1.3 2,-0.2 -2,-0.2 0.941 111.0 48.2 -57.0 -49.0 40.1 12.4 10.1 174 181 A D H X>S+ 0 0 22 -4,-2.4 5,-2.2 1,-0.2 6,-1.1 0.902 111.6 49.1 -59.4 -44.4 41.6 11.2 13.4 175 182 A R H <5S+ 0 0 13 -4,-2.7 3,-0.4 1,-0.2 -1,-0.2 0.885 109.2 52.4 -66.2 -37.2 38.7 8.7 14.0 176 183 A S H <5S+ 0 0 4 -4,-2.5 76,-0.4 1,-0.2 -1,-0.2 0.785 115.0 42.6 -65.7 -27.4 39.1 7.3 10.5 177 184 A A H <5S- 0 0 3 -4,-1.3 -1,-0.2 -3,-0.3 -2,-0.2 0.505 117.8-105.0-102.6 -8.6 42.8 6.7 11.1 178 185 A G T <5S+ 0 0 56 -4,-1.1 -3,-0.2 -3,-0.4 -4,-0.1 0.537 89.3 114.5 97.6 7.1 42.7 5.4 14.6 179 186 A W S - 0 0 124 -11,-0.1 3,-2.0 1,-0.1 2,-0.1 -0.779 36.1 -86.1-102.2 156.2 31.9 6.6 15.9 184 191 A H T 3 S+ 0 0 200 -2,-0.3 -1,-0.1 1,-0.3 0, 0.0 -0.399 117.5 23.5 -58.7 131.8 29.1 4.6 14.2 185 192 A G T 3 S+ 0 0 71 1,-0.3 -1,-0.3 -2,-0.1 3,-0.1 0.421 89.5 139.6 91.0 -1.9 29.0 5.6 10.6 186 193 A D < - 0 0 19 -3,-2.0 -1,-0.3 1,-0.1 -4,-0.0 -0.354 66.2 -87.8 -71.6 154.6 32.6 6.8 10.4 187 194 A P - 0 0 14 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.326 35.8-127.8 -61.2 150.4 34.7 6.1 7.3 188 195 A A S S- 0 0 44 -3,-0.1 64,-0.3 1,-0.1 2,-0.3 0.808 80.3 -5.7 -73.4 -30.6 36.4 2.7 7.7 189 196 A D S > S- 0 0 24 62,-0.1 4,-1.9 63,-0.1 -12,-0.2 -0.889 82.0 -86.9-153.5 179.3 39.9 3.9 6.9 190 197 A T H > S+ 0 0 1 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.886 120.2 56.8 -66.4 -39.4 41.8 7.0 5.8 191 198 A Y H > S+ 0 0 4 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.929 109.0 46.8 -57.6 -46.0 41.3 6.3 2.1 192 199 A E H > S+ 0 0 75 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.906 109.5 54.2 -63.3 -41.9 37.5 6.3 2.5 193 200 A F H >< S+ 0 0 3 -4,-1.9 3,-1.4 1,-0.2 4,-0.4 0.911 104.7 54.5 -57.9 -43.3 37.6 9.5 4.5 194 201 A L H >< S+ 0 0 0 -4,-2.4 3,-1.5 1,-0.3 -53,-0.3 0.884 101.7 57.8 -61.5 -37.3 39.5 11.3 1.8 195 202 A T H 3< S+ 0 0 35 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.649 99.4 60.9 -68.3 -14.2 36.9 10.4 -0.8 196 203 A T T << S+ 0 0 68 -3,-1.4 -1,-0.3 -4,-0.6 -2,-0.2 0.570 80.3 109.6 -87.4 -10.1 34.2 12.1 1.3 197 204 A L < - 0 0 7 -3,-1.5 -56,-2.0 -4,-0.4 2,-0.3 -0.429 45.4-177.9 -77.3 141.1 35.9 15.5 1.2 198 205 A R + 0 0 124 -40,-0.4 -40,-3.4 -58,-0.2 2,-0.3 -0.870 7.9 174.4-132.5 163.1 34.3 18.3 -0.8 199 206 A G - 0 0 36 -2,-0.3 -42,-0.2 -42,-0.3 -43,-0.0 -0.960 46.7 -96.8-159.7 174.7 35.0 22.0 -1.7 200 207 A D - 0 0 121 -2,-0.3 -43,-0.1 2,-0.1 3,-0.1 0.554 62.9-110.3 -80.3 -5.9 33.7 24.8 -3.9 201 208 A G S S+ 0 0 62 -45,-0.5 2,-0.1 1,-0.3 -1,-0.1 0.244 73.9 131.2 102.6 -12.6 36.2 24.0 -6.6 202 209 A S + 0 0 58 -47,-0.1 -46,-2.2 -46,-0.0 -1,-0.3 -0.395 29.8 178.3 -76.2 151.3 38.4 27.0 -6.3 203 210 A T B +K 155 0D 64 -48,-0.2 -48,-0.2 -3,-0.1 3,-0.1 -0.896 44.6 68.6-140.4 169.6 42.2 26.7 -6.1 204 211 A G S S+ 0 0 36 -50,-2.3 2,-0.4 1,-0.3 -49,-0.1 0.133 75.2 96.1 107.0 -20.8 45.3 28.9 -5.8 205 212 A E S S- 0 0 112 -51,-0.2 -1,-0.3 100,-0.0 2,-0.2 -0.854 82.0-104.9-102.5 140.8 44.8 30.3 -2.3 206 213 A F + 0 0 14 98,-2.7 2,-0.3 -2,-0.4 -52,-0.2 -0.416 43.0 167.2 -62.5 126.6 46.6 28.7 0.7 207 214 A Q - 0 0 51 -54,-3.0 -52,-0.4 -2,-0.2 2,-0.3 -0.876 31.8-135.5-137.7 112.7 44.4 26.6 2.9 208 215 A Y + 0 0 36 -2,-0.3 2,-0.3 -54,-0.1 -47,-0.2 -0.498 35.4 165.9 -67.2 122.8 46.2 24.3 5.4 209 216 A C >> - 0 0 0 -2,-0.3 3,-1.6 1,-0.1 4,-0.5 -0.921 33.4-154.6-144.8 116.1 44.6 20.9 5.3 210 217 A S H >> S+ 0 0 5 -2,-0.3 4,-1.0 1,-0.3 3,-0.6 0.741 92.7 69.8 -62.6 -23.7 46.0 17.8 6.8 211 218 A A H 3> S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.822 87.1 68.2 -62.3 -29.1 44.0 15.6 4.3 212 219 A N H <> S+ 0 0 0 -3,-1.6 4,-1.9 1,-0.2 -1,-0.2 0.896 97.1 50.8 -58.8 -40.8 46.2 16.9 1.5 213 220 A T H > - 0 0 25 -2,-0.3 4,-2.6 -220,-0.2 3,-0.6 -0.427 37.1-116.7 -53.8 142.4 53.0 0.8 1.6 228 235 A Y H 3> S+ 0 0 0 1,-0.3 4,-2.9 2,-0.2 5,-0.2 0.883 116.7 60.5 -55.6 -37.6 53.7 4.4 2.5 229 236 A V H 3> S+ 0 0 41 25,-0.3 4,-1.1 1,-0.2 -1,-0.3 0.905 109.9 41.2 -54.7 -41.9 55.5 3.1 5.6 230 237 A E H <> S+ 0 0 97 -3,-0.6 4,-3.2 2,-0.2 -2,-0.2 0.884 112.7 53.2 -76.1 -38.6 58.0 1.3 3.3 231 238 A A H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 5,-0.4 0.900 105.8 54.7 -61.5 -40.1 58.2 4.2 0.8 232 239 A L H X>S+ 0 0 12 -4,-2.9 5,-2.5 -5,-0.2 4,-0.8 0.869 114.4 41.6 -62.3 -35.5 59.1 6.5 3.7 233 240 A S H <>S+ 0 0 53 -4,-1.1 5,-3.0 -5,-0.2 6,-0.3 0.950 117.2 45.3 -71.9 -51.8 61.9 4.2 4.6 234 241 A T H <5S+ 0 0 61 -4,-3.2 -2,-0.2 1,-0.2 -3,-0.2 0.887 122.0 34.7 -64.9 -42.1 63.2 3.4 1.2 235 242 A Y H <5S- 0 0 17 -4,-2.7 -1,-0.2 -5,-0.2 -3,-0.2 0.661 138.9 -1.5 -90.9 -17.4 63.2 6.9 -0.2 236 243 A L T ><5S+ 0 0 0 -4,-0.8 3,-1.9 -5,-0.4 4,-0.4 0.555 120.9 48.4-132.8 -68.1 64.1 8.8 2.9 237 244 A W G > XS+ 0 0 22 -5,-2.5 3,-1.4 1,-0.3 5,-0.5 0.852 108.0 53.4 -62.1 -39.7 64.8 7.2 6.3 238 245 A A G 3 - 0 0 8 4,-2.0 3,-2.1 -2,-0.3 -74,-0.1 -0.181 50.3 -76.7 -86.3-172.8 45.2 2.9 10.4 252 259 A T T 3 S+ 0 0 86 -76,-0.4 -63,-0.1 1,-0.3 -75,-0.1 0.610 133.0 50.0 -68.5 -9.4 43.3 -0.4 10.2 253 260 A T T 3 S- 0 0 30 2,-0.1 -1,-0.3 -235,-0.0 -238,-0.2 0.445 121.2-104.1 -99.8 -3.9 44.6 -1.1 6.7 254 261 A G S < S+ 0 0 2 -3,-2.1 2,-0.4 1,-0.3 -25,-0.3 0.529 70.2 150.4 92.6 6.8 48.2 -0.4 7.6 255 262 A F - 0 0 1 -27,-0.1 -4,-2.0 -28,-0.1 -1,-0.3 -0.616 47.2-121.4 -78.0 124.6 48.2 3.0 5.9 256 263 A G B -L 250 0E 0 -2,-0.4 2,-2.0 -6,-0.2 -6,-0.2 -0.387 16.7-119.6 -69.5 141.8 50.6 5.4 7.6 257 264 A F >> + 0 0 4 -8,-2.4 4,-2.8 1,-0.2 3,-1.5 -0.551 40.5 176.7 -80.7 78.9 49.3 8.6 9.0 258 265 A A T 34 + 0 0 0 -2,-2.0 -147,-0.3 1,-0.3 -1,-0.2 0.760 66.9 60.6 -63.2 -29.1 51.5 10.8 6.8 259 266 A N T 34 S- 0 0 13 -3,-0.1 -151,-0.5 1,-0.1 -1,-0.3 0.683 132.2 -14.9 -75.5 -18.8 50.1 14.1 7.9 260 267 A G T <4 S+ 0 0 2 -3,-1.5 -156,-0.8 -153,-0.2 -2,-0.2 0.469 104.5 94.0-161.3 1.8 51.0 13.8 11.5 261 268 A G < + 0 0 0 -4,-2.8 -12,-1.5 -158,-0.1 2,-0.3 0.290 49.4 112.3-105.7 10.0 52.0 10.4 12.8 262 269 A V E - 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