==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 29-JUN-11 3B1C . COMPND 2 MOLECULE: BETAC-S LYASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS ANGINOSUS; . AUTHOR Y.KEZUKA,Y.YOSHIDA,T.NONAKA . 1545 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 53626.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1114 72.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 107 6.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 127 8.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 112 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 153 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 525 34.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 40 2.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 4 4 0 0 1 3 4 8 4 12 4 4 0 0 0 0 0 0 0 0 0 4 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 4 1 7 4 4 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 . 12 5 11 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 8 0 4 0 0 4 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 2 A S 0 0 113 0, 0.0 4,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-161.5 -14.9 77.4 37.9 2 3 A K + 0 0 162 2,-0.1 2,-0.3 0, 0.0 0, 0.0 0.666 360.0 69.0 -46.3 -31.5 -13.3 78.9 41.1 3 4 A Y S S- 0 0 15 38,-0.0 2,-0.9 283,-0.0 3,-0.1 -0.800 89.2-121.2-102.9 144.4 -10.4 76.6 40.2 4 5 A N + 0 0 37 -2,-0.3 35,-0.5 1,-0.2 -2,-0.1 -0.745 53.2 138.6 -91.0 102.1 -8.1 77.0 37.2 5 6 A F + 0 0 7 -2,-0.9 366,-0.4 33,-0.1 -1,-0.2 0.123 68.7 69.1-113.1 13.3 -8.1 74.0 34.8 6 7 A Q S S+ 0 0 117 1,-0.2 2,-0.5 364,-0.2 366,-0.2 0.790 94.0 49.4-102.8 -36.2 -8.1 76.3 31.8 7 8 A T S S- 0 0 89 365,-0.1 32,-0.5 363,-0.0 -1,-0.2 -0.944 71.2-140.6-118.5 125.8 -4.6 77.9 31.9 8 9 A A - 0 0 38 -2,-0.5 30,-0.1 30,-0.1 -3,-0.1 -0.694 25.3-123.7 -84.2 121.3 -1.3 76.0 32.3 9 10 A P - 0 0 17 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 -0.291 32.3-102.8 -60.5 147.1 1.2 77.8 34.6 10 11 A N + 0 0 115 1,-0.1 3,-0.2 2,-0.0 433,-0.1 -0.619 44.2 172.2 -76.1 117.0 4.5 78.5 32.9 11 12 A R > > + 0 0 4 -2,-0.6 3,-1.8 1,-0.2 5,-0.5 0.371 43.8 107.4-110.5 7.1 7.0 76.0 34.2 12 13 A L T 3 5S+ 0 0 66 1,-0.3 3,-0.3 2,-0.1 -1,-0.2 0.686 82.6 44.7 -64.0 -23.2 10.0 76.7 32.0 13 14 A S T 3 5S+ 0 0 93 -3,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.337 95.0 79.9-100.2 8.6 12.0 78.3 34.8 14 15 A H T < 5S- 0 0 26 -3,-1.8 -1,-0.2 427,-0.1 -2,-0.1 0.366 98.0-119.2 -99.6 3.0 11.3 75.7 37.5 15 16 A H T 5 + 0 0 53 -3,-0.3 433,-1.6 -4,-0.2 2,-0.2 0.923 51.9 171.0 53.8 47.4 13.8 73.0 36.4 16 17 A T B < -A 447 0A 2 -5,-0.5 4,-0.4 431,-0.2 431,-0.3 -0.539 40.6-137.4 -78.6 150.6 11.0 70.5 35.8 17 18 A Y S > S+ 0 0 101 429,-1.9 3,-1.2 -2,-0.2 4,-0.4 0.936 102.1 58.6 -65.0 -45.8 11.7 67.1 34.2 18 19 A K T 3 S+ 0 0 3 428,-0.4 3,-0.2 1,-0.3 4,-0.2 0.853 116.1 29.4 -57.9 -44.0 8.5 67.5 32.1 19 20 A W T 3> S+ 0 0 29 1,-0.2 4,-1.1 -8,-0.1 -1,-0.3 0.323 86.5 109.0-101.5 8.5 9.4 70.8 30.3 20 21 A K H X> S+ 0 0 98 -3,-1.2 3,-0.9 -4,-0.4 4,-0.5 0.913 82.3 43.6 -53.9 -50.4 13.2 70.4 30.3 21 22 A E H >> S+ 0 0 78 -4,-0.4 4,-2.9 1,-0.3 3,-1.3 0.852 107.1 60.0 -66.0 -35.2 13.5 69.7 26.5 22 23 A T H 34 S+ 0 0 10 1,-0.3 -1,-0.3 2,-0.2 -2,-0.2 0.720 91.8 69.9 -64.5 -23.7 11.1 72.5 25.7 23 24 A E H << S+ 0 0 79 -4,-1.1 -1,-0.3 -3,-0.9 -2,-0.2 0.799 113.2 27.8 -65.8 -30.4 13.4 75.0 27.4 24 25 A T H << S+ 0 0 120 -3,-1.3 -2,-0.2 -4,-0.5 -1,-0.2 0.817 133.2 35.1 -95.4 -44.5 15.9 74.4 24.5 25 26 A D >< - 0 0 41 -4,-2.9 3,-2.2 1,-0.1 -1,-0.2 -0.845 69.0-170.4-110.5 98.6 13.4 73.5 21.7 26 27 A P T 3 S+ 0 0 110 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.541 80.8 68.1 -70.6 -4.9 10.2 75.6 22.3 27 28 A Q T 3 S+ 0 0 113 2,-0.0 2,-0.2 -3,-0.0 -5,-0.1 0.684 78.1 104.4 -78.8 -21.7 8.3 73.7 19.7 28 29 A L < - 0 0 3 -3,-2.2 319,-0.2 -7,-0.2 318,-0.1 -0.407 55.2-162.0 -68.6 128.1 8.4 70.6 21.9 29 30 A L E -b 347 0B 25 317,-2.2 319,-2.1 -2,-0.2 2,-0.3 -0.945 11.7-148.2-110.8 115.1 5.1 69.7 23.8 30 31 A P E +b 348 0B 1 0, 0.0 319,-0.1 0, 0.0 347,-0.1 -0.620 34.5 152.7 -85.3 139.3 5.6 67.3 26.7 31 32 A A + 0 0 0 317,-2.9 335,-2.1 -2,-0.3 319,-0.4 -0.214 52.8 86.7-153.1 46.7 3.0 64.8 27.7 32 33 A W + 0 0 62 317,-0.2 318,-0.2 333,-0.2 317,-0.1 0.727 62.8 64.0-115.4 -85.6 5.1 62.0 29.3 33 34 A I S S- 0 0 29 1,-0.1 2,-2.0 316,-0.1 -1,-0.1 -0.091 87.3-107.4 -54.6 141.7 6.1 62.2 33.0 34 35 A A S S+ 0 0 8 -3,-0.1 2,-0.3 2,-0.0 -1,-0.1 -0.494 79.7 103.1 -84.7 75.1 3.2 62.0 35.4 35 36 A D - 0 0 1 -2,-2.0 2,-0.3 410,-0.1 333,-0.2 -0.899 67.2-112.7-130.7 168.7 2.8 65.4 36.9 36 37 A M - 0 0 0 -2,-0.3 333,-0.2 2,-0.2 409,-0.1 -0.721 3.8-141.7-103.9 153.7 0.1 67.8 35.8 37 38 A D S S+ 0 0 2 331,-2.9 2,-0.4 -2,-0.3 332,-0.1 -0.185 74.5 104.8 -99.0 38.8 0.1 71.1 33.9 38 39 A F S S- 0 0 0 330,-0.2 -2,-0.2 -30,-0.1 -33,-0.1 -0.966 81.5-102.2-114.7 140.0 -2.7 72.3 36.2 39 40 A E - 0 0 47 -35,-0.5 404,-0.2 -32,-0.5 403,-0.1 -0.291 43.1-111.3 -50.0 136.2 -2.3 74.8 39.1 40 41 A V - 0 0 5 402,-2.8 -36,-0.1 1,-0.2 -1,-0.1 -0.367 47.7 -77.9 -68.6 152.0 -2.2 73.1 42.4 41 42 A M >> - 0 0 0 194,-0.3 3,-1.3 1,-0.1 4,-1.3 -0.174 44.6-118.5 -51.9 139.3 -5.1 73.7 44.7 42 43 A P H 3> S+ 0 0 57 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.800 107.5 63.4 -61.1 -29.7 -4.9 77.1 46.4 43 44 A E H 3> S+ 0 0 56 1,-0.2 4,-1.8 2,-0.2 236,-0.1 0.801 102.0 51.8 -67.1 -29.9 -4.7 75.9 50.0 44 45 A V H <> S+ 0 0 0 -3,-1.3 4,-1.7 2,-0.2 -1,-0.2 0.927 108.5 49.5 -69.4 -46.3 -1.4 74.1 49.3 45 46 A K H X S+ 0 0 51 -4,-1.3 4,-2.0 1,-0.2 3,-0.4 0.936 112.2 49.8 -55.8 -46.2 0.2 77.2 47.8 46 47 A Q H X S+ 0 0 95 -4,-2.5 4,-2.9 1,-0.2 -1,-0.2 0.899 106.8 54.7 -61.0 -40.2 -1.0 79.1 50.9 47 48 A A H X S+ 0 0 10 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.802 105.5 52.3 -65.2 -30.2 0.5 76.4 53.2 48 49 A I H X S+ 0 0 1 -4,-1.7 4,-2.0 -3,-0.4 -1,-0.2 0.912 110.6 48.1 -69.0 -45.8 3.9 76.8 51.5 49 50 A H H X S+ 0 0 28 -4,-2.0 4,-1.6 1,-0.2 -2,-0.2 0.929 111.1 51.5 -55.6 -45.8 3.7 80.6 52.2 50 51 A D H < S+ 0 0 89 -4,-2.9 4,-0.3 1,-0.2 -2,-0.2 0.884 106.2 54.2 -62.7 -36.1 2.7 79.8 55.8 51 52 A Y H >< S+ 0 0 2 -4,-1.9 3,-1.8 1,-0.2 4,-0.4 0.929 104.1 54.4 -61.1 -44.8 5.7 77.5 56.1 52 53 A A H >< S+ 0 0 0 -4,-2.0 3,-1.8 1,-0.3 -1,-0.2 0.905 103.1 59.3 -52.6 -39.0 8.0 80.4 55.0 53 54 A E T 3< S+ 0 0 104 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.504 81.6 79.5 -79.2 -3.0 6.5 82.3 57.9 54 55 A Q T < S- 0 0 35 -3,-1.8 2,-0.7 -4,-0.3 -1,-0.3 0.737 84.2-157.6 -63.4 -27.0 7.6 79.8 60.5 55 56 A L < + 0 0 39 -3,-1.8 372,-2.4 -4,-0.4 2,-0.4 0.096 67.9 69.9 75.5 -30.3 10.9 81.7 60.1 56 57 A V - 0 0 2 -2,-0.7 2,-0.3 370,-0.2 568,-0.1 -0.996 63.9-163.8-122.9 131.2 13.0 78.8 61.4 57 58 A Y + 0 0 2 566,-1.1 569,-2.5 -2,-0.4 570,-0.4 -0.444 37.7 140.1-118.2 56.5 13.3 75.6 59.2 58 59 A G - 0 0 2 -2,-0.3 2,-0.3 567,-0.2 212,-0.1 0.090 59.1 -47.7 -87.8-164.8 14.5 73.1 61.6 59 60 A Y - 0 0 38 566,-0.1 345,-1.6 567,-0.1 346,-0.4 -0.520 60.1-174.9 -75.1 132.2 13.8 69.4 62.2 60 61 A T B -C 403 0C 19 -2,-0.3 2,-0.3 208,-0.3 343,-0.2 -0.818 14.0-140.4-127.8 162.7 10.1 68.5 62.4 61 62 A Y - 0 0 21 341,-2.5 2,-0.6 -2,-0.3 206,-0.0 -0.765 34.5 -91.5-120.2 162.6 8.1 65.4 63.2 62 63 A A - 0 0 27 -2,-0.3 340,-0.0 1,-0.1 208,-0.0 -0.671 52.1-137.5 -76.2 118.2 4.9 64.0 61.7 63 64 A S > - 0 0 6 -2,-0.6 4,-2.6 1,-0.1 5,-0.1 -0.203 18.0-116.7 -77.0 164.8 2.0 65.4 63.7 64 65 A D H > S+ 0 0 102 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.833 119.2 58.2 -64.1 -33.7 -1.1 63.8 65.1 65 66 A E H > S+ 0 0 91 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.890 108.0 44.1 -61.8 -41.8 -3.0 66.2 62.7 66 67 A L H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.931 114.1 50.0 -67.7 -48.2 -1.2 64.8 59.7 67 68 A L H X S+ 0 0 30 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.947 112.2 48.2 -54.3 -46.2 -1.7 61.2 61.0 68 69 A Q H X S+ 0 0 70 -4,-3.1 4,-3.0 1,-0.2 -1,-0.2 0.849 107.7 55.3 -64.8 -36.2 -5.4 62.0 61.5 69 70 A A H X S+ 0 0 7 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.888 109.9 45.9 -62.5 -41.8 -5.7 63.6 58.0 70 71 A V H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 5,-0.2 0.936 114.1 48.0 -68.7 -46.3 -4.3 60.4 56.4 71 72 A L H X S+ 0 0 30 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.946 114.0 47.5 -55.8 -48.7 -6.6 58.2 58.5 72 73 A D H X S+ 0 0 70 -4,-3.0 4,-2.9 1,-0.2 5,-0.3 0.855 111.4 51.0 -64.0 -37.8 -9.6 60.4 57.6 73 74 A W H X>S+ 0 0 3 -4,-2.2 4,-3.3 2,-0.2 5,-0.6 0.946 111.9 45.8 -64.0 -51.1 -8.8 60.4 53.9 74 75 A E H X5S+ 0 0 0 -4,-2.4 6,-1.9 1,-0.2 4,-1.3 0.874 118.5 43.1 -60.4 -39.8 -8.5 56.6 53.7 75 76 A K H X5S+ 0 0 108 -4,-2.2 4,-1.2 4,-0.3 -2,-0.2 0.944 120.0 40.4 -71.2 -51.3 -11.7 56.2 55.7 76 77 A S H <5S+ 0 0 44 -4,-2.9 -2,-0.2 -5,-0.2 -3,-0.2 0.907 128.1 29.3 -66.6 -42.9 -13.7 58.9 53.9 77 78 A E H <5S+ 0 0 62 -4,-3.3 -3,-0.2 -5,-0.3 -2,-0.2 0.828 136.0 20.9 -89.9 -34.6 -12.5 58.2 50.3 78 79 A H H < - 0 0 97 -2,-0.3 3,-2.3 1,-0.1 4,-0.2 -0.633 32.4-117.7 -99.5 155.6 -5.1 53.0 63.5 84 85 A K G > S+ 0 0 77 1,-0.3 3,-1.7 -2,-0.2 -1,-0.1 0.864 115.1 63.0 -57.1 -35.1 -2.7 56.0 63.4 85 86 A E G 3 S+ 0 0 80 1,-0.3 -1,-0.3 3,-0.0 162,-0.0 0.578 90.3 67.0 -65.8 -10.4 0.1 53.6 64.4 86 87 A D G < S+ 0 0 11 -3,-2.3 161,-2.8 160,-0.1 2,-0.4 0.519 82.0 96.2 -87.7 -4.6 -0.4 51.7 61.1 87 88 A I E < -D 246 0D 11 -3,-1.7 2,-0.4 -4,-0.2 159,-0.2 -0.716 50.3-175.2 -92.3 131.3 0.9 54.7 59.0 88 89 A V E -D 245 0D 5 157,-2.5 157,-2.6 -2,-0.4 2,-0.3 -0.972 16.4-144.2-124.2 118.3 4.5 54.9 57.9 89 90 A F E +D 244 0D 20 -2,-0.4 2,-0.3 155,-0.2 155,-0.3 -0.589 21.1 176.7 -82.9 141.3 5.6 58.0 56.1 90 91 A V E -D 243 0D 0 153,-2.1 153,-1.2 -2,-0.3 176,-0.1 -0.990 40.0-119.8-142.0 141.6 8.2 57.7 53.4 91 92 A E S S- 0 0 10 174,-0.4 2,-0.3 -2,-0.3 3,-0.1 0.752 93.6 -2.4 -61.4 -21.1 9.5 60.5 51.1 92 93 A G > - 0 0 10 149,-0.2 4,-1.5 1,-0.1 151,-0.2 -0.983 63.2-117.7-159.8 165.6 8.2 58.6 48.1 93 94 A V H > S+ 0 0 11 -2,-0.3 4,-2.3 2,-0.2 5,-0.1 0.877 114.4 54.9 -73.1 -39.1 6.4 55.5 46.9 94 95 A V H > S+ 0 0 13 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.955 107.6 50.9 -61.9 -48.3 9.3 54.4 44.7 95 96 A P H > S+ 0 0 1 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.925 108.9 52.1 -44.9 -49.6 11.5 54.6 47.9 96 97 A A H X S+ 0 0 0 -4,-1.5 4,-2.7 1,-0.2 -2,-0.2 0.860 104.9 56.2 -58.9 -38.1 8.9 52.5 49.7 97 98 A I H X S+ 0 0 1 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.913 109.2 45.1 -59.8 -45.3 9.0 49.8 46.9 98 99 A S H X S+ 0 0 0 -4,-1.8 4,-2.7 2,-0.2 5,-0.2 0.935 112.8 50.7 -66.4 -44.5 12.8 49.4 47.4 99 100 A I H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.914 111.2 49.6 -56.7 -45.5 12.5 49.3 51.2 100 101 A A H X S+ 0 0 0 -4,-2.7 4,-2.8 2,-0.2 5,-0.3 0.921 110.0 50.0 -61.2 -44.8 9.7 46.6 50.8 101 102 A I H X S+ 0 0 0 -4,-2.4 4,-1.4 1,-0.2 -2,-0.2 0.949 115.7 42.9 -58.5 -47.5 11.9 44.5 48.4 102 103 A Q H < S+ 0 0 16 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.872 118.7 45.2 -69.1 -38.3 14.8 44.7 50.8 103 104 A A H < S+ 0 0 3 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.882 120.1 34.9 -67.3 -45.1 12.6 44.0 53.9 104 105 A F H < S+ 0 0 14 -4,-2.8 2,-0.3 -5,-0.2 -2,-0.2 0.531 118.3 37.1-101.7 -7.5 10.5 41.2 52.6 105 106 A T < - 0 0 2 -4,-1.4 2,-0.3 -5,-0.3 3,-0.0 -0.888 67.6-132.5-135.7 164.3 12.8 39.2 50.4 106 107 A K > - 0 0 136 -2,-0.3 3,-2.2 1,-0.1 -3,-0.0 -0.820 47.5 -73.3-112.5 159.1 16.4 38.2 50.3 107 108 A E T 3 S+ 0 0 131 -2,-0.3 23,-0.2 1,-0.3 22,-0.1 -0.178 120.6 24.8 -47.0 136.8 18.8 38.4 47.4 108 109 A G T 3 S+ 0 0 58 21,-2.5 -1,-0.3 1,-0.3 22,-0.2 0.145 93.6 123.3 91.7 -21.6 18.1 35.8 44.7 109 110 A E < - 0 0 48 -3,-2.2 22,-2.1 20,-0.1 2,-0.4 -0.377 65.8-103.9 -77.9 157.1 14.4 35.4 45.7 110 111 A A E -ef 131 160D 2 49,-0.6 51,-2.8 48,-0.3 52,-1.1 -0.645 29.2-170.4 -93.0 131.0 11.7 36.0 43.2 111 112 A V E -ef 132 162D 0 20,-3.0 22,-3.1 -2,-0.4 2,-0.4 -0.981 14.9-146.3-118.4 130.2 9.5 39.1 43.0 112 113 A L E +ef 133 163D 0 50,-2.7 52,-2.9 -2,-0.4 2,-0.3 -0.781 18.6 173.9-103.2 140.2 6.4 39.2 40.7 113 114 A I E -ef 134 164D 4 20,-2.5 22,-3.2 -2,-0.4 2,-0.7 -0.930 35.4-117.6-129.7 155.8 4.9 42.0 38.7 114 115 A N E -e 135 0D 1 50,-0.5 22,-0.2 -2,-0.3 20,-0.1 -0.887 53.5-109.8 -90.0 113.0 2.1 42.2 36.2 115 116 A S E S+e 136 0D 2 20,-1.8 22,-3.2 -2,-0.7 241,-0.1 -0.661 93.2 42.2 -94.3 148.5 3.7 43.4 32.9 116 117 A P S S+ 0 0 0 0, 0.0 2,-0.3 0, 0.0 240,-0.2 0.577 88.8 135.5 -83.4 152.3 3.7 45.8 31.3 117 118 A V - 0 0 3 238,-1.8 5,-0.2 -2,-0.1 4,-0.1 -0.975 60.7 -43.3-158.4 157.2 3.8 48.1 34.3 118 119 A Y >> - 0 0 47 52,-2.3 3,-2.2 -2,-0.3 4,-0.5 0.073 59.2-127.4 -22.6 115.4 5.4 51.3 35.8 119 120 A P H 3> S+ 0 0 38 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.742 102.5 65.5 -57.9 -33.1 9.2 50.9 34.9 120 121 A P H 3> S+ 0 0 12 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.695 91.6 67.9 -60.1 -19.0 10.6 51.4 38.4 121 122 A F H <> S+ 0 0 1 -3,-2.2 4,-1.8 2,-0.2 5,-0.2 0.993 109.0 33.2 -57.7 -64.4 8.8 48.1 39.4 122 123 A A H X S+ 0 0 28 -4,-0.5 4,-2.5 -5,-0.2 5,-0.2 0.885 119.7 53.5 -61.7 -42.6 11.2 46.0 37.2 123 124 A R H X S+ 0 0 76 -4,-2.2 4,-2.8 2,-0.2 5,-0.3 0.938 107.8 49.5 -54.7 -50.3 14.1 48.4 37.8 124 125 A S H X S+ 0 0 2 -4,-2.4 4,-1.1 1,-0.2 -2,-0.2 0.901 113.3 46.7 -64.6 -38.8 13.8 48.2 41.6 125 126 A V H <>S+ 0 0 0 -4,-1.8 5,-2.1 -5,-0.2 3,-0.3 0.961 116.4 43.9 -62.8 -52.1 13.6 44.3 41.5 126 127 A R H ><5S+ 0 0 165 -4,-2.5 3,-1.8 1,-0.2 -2,-0.2 0.904 112.1 49.8 -62.3 -48.0 16.6 44.0 39.1 127 128 A L H 3<5S+ 0 0 44 -4,-2.8 -1,-0.2 1,-0.3 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-3,-0.2 0.899 75.4 126.7 65.4 46.2 0.2 67.3 41.7 237 238 A I > < + 0 0 0 -5,-1.4 3,-2.3 -6,-0.2 4,-0.4 -0.063 14.2 134.3-124.3 34.8 2.6 67.8 44.6 238 239 A A G > + 0 0 6 -6,-0.5 3,-1.1 1,-0.3 207,-0.2 0.782 67.8 63.2 -58.3 -32.2 5.4 65.3 43.7 239 240 A G G 3 S+ 0 0 2 205,-2.6 418,-2.3 1,-0.2 419,-0.5 0.546 90.5 67.5 -72.0 -7.9 8.1 67.9 44.4 240 241 A T G < S- 0 0 2 -3,-2.3 -1,-0.2 204,-0.5 29,-0.2 0.632 97.0-141.1 -85.5 -16.5 7.1 68.0 48.1 241 242 A K < + 0 0 19 -3,-1.1 28,-0.5 -4,-0.4 2,-0.3 0.961 47.5 124.4 59.0 70.1 8.2 64.4 48.7 242 243 A N + 0 0 1 -5,-0.2 -10,-0.4 30,-0.1 -11,-0.3 -0.976 16.6 142.2-150.8 153.8 5.9 62.6 51.0 243 244 A S E -D 90 0D 1 -153,-1.2 -153,-2.1 -2,-0.3 2,-0.3 -0.922 27.8-132.2-166.8 177.4 3.9 59.4 50.8 244 245 A Y E -DI 89 229D 1 -15,-2.8 -15,-2.3 -2,-0.3 2,-0.4 -0.994 9.1-141.7-148.8 160.2 2.9 56.5 53.1 245 246 A A E -DI 88 228D 0 -157,-2.6 -157,-2.5 -2,-0.3 2,-0.6 -0.960 16.1-150.7-108.5 135.8 2.6 52.9 53.7 246 247 A I E +DI 87 227D 0 -19,-3.2 -19,-1.9 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0.947 115.5 46.5 -63.7 -49.4 9.3 47.6 56.8 257 258 A K H X S+ 0 0 72 -4,-2.8 4,-2.0 2,-0.2 -2,-0.2 0.861 111.3 53.3 -65.0 -34.9 10.1 50.2 59.5 258 259 A H H X S+ 0 0 30 -4,-2.6 4,-2.8 -5,-0.2 -1,-0.2 0.964 110.9 44.8 -64.3 -51.4 13.3 48.3 60.5 259 260 A Q H X S+ 0 0 26 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.893 110.2 56.4 -57.4 -41.8 14.6 48.2 56.9 260 261 A Q H <>S+ 0 0 7 -4,-2.6 5,-3.2 1,-0.2 -1,-0.2 0.904 111.8 42.1 -56.1 -44.4 13.6 51.9 56.5 261 262 A L H ><5S+ 0 0 42 -4,-2.0 3,-1.5 3,-0.2 -2,-0.2 0.866 108.7 57.6 -71.9 -40.8 15.8 52.8 59.5 262 263 A V H 3<5S+ 0 0 10 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.911 113.3 42.7 -50.7 -43.2 18.7 50.5 58.4 263 264 A N T 3<5S- 0 0 0 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.383 109.8-126.2 -83.3 -0.4 18.7 52.6 55.2 264 265 A N T < 5S+ 0 0 0 -3,-1.5 -3,-0.2 1,-0.1 3,-0.2 0.878 73.4 128.6 49.0 43.9 18.3 55.9 57.0 265 266 A H < + 0 0 0 -5,-3.2 -174,-0.4 -6,-0.2 -4,-0.2 -0.108 34.3 100.1-114.6 29.4 15.3 56.5 54.8 266 267 A H + 0 0 56 -6,-0.2 2,-0.3 -5,-0.1 -1,-0.1 0.487 58.9 89.7 -99.5 -6.6 12.9 57.3 57.7 267 268 A E - 0 0 54 -3,-0.2 2,-0.3 -206,-0.0 -176,-0.3 -0.648 51.6-167.5 -99.2 151.2 13.0 61.1 57.6 268 269 A V - 0 0 7 -2,-0.3 -208,-0.3 -208,-0.2 -26,-0.1 -0.965 27.4-105.8-132.6 146.1 10.6 63.4 55.6 269 270 A S > - 0 0 7 -28,-0.5 4,-2.0 -2,-0.3 358,-0.2 -0.306 29.7-113.2 -69.3 158.5 10.9 67.2 54.9 270 271 A S H > S+ 0 0 1 356,-2.3 4,-2.5 1,-0.2 5,-0.1 0.907 119.6 47.5 -59.8 -43.8 8.7 69.7 56.6 271 272 A L H > S+ 0 0 5 355,-0.5 4,-3.0 2,-0.2 5,-0.3 0.844 104.6 62.4 -68.3 -31.3 6.9 70.7 53.5 272 273 A G H > S+ 0 0 0 2,-0.2 4,-1.4 1,-0.2 -2,-0.2 0.961 110.6 39.2 -49.1 -53.5 6.5 67.0 52.8 273 274 A Y H X S+ 0 0 27 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.930 119.1 46.8 -62.6 -48.7 4.4 66.8 56.0 274 275 A I H X S+ 0 0 33 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.890 109.8 50.0 -64.6 -44.4 2.6 70.1 55.5 275 276 A A H X S+ 0 0 1 -4,-3.0 4,-2.6 2,-0.2 -1,-0.2 0.897 111.3 49.0 -71.0 -36.9 1.6 69.7 51.9 276 277 A T H X S+ 0 0 1 -4,-1.4 4,-2.4 -5,-0.3 5,-0.2 0.942 112.5 46.8 -65.4 -48.7 0.1 66.2 52.4 277 278 A E H X S+ 0 0 36 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.950 115.3 47.9 -57.8 -47.3 -2.0 67.2 55.4 278 279 A T H X S+ 0 0 17 -4,-2.5 4,-2.2 -5,-0.2 5,-0.3 0.916 110.7 50.0 -61.1 -45.4 -3.1 70.3 53.6 279 280 A A H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.920 114.5 44.1 -61.7 -44.5 -4.1 68.5 50.4 280 281 A Y H < S+ 0 0 10 -4,-2.4 4,-0.2 1,-0.2 -1,-0.2 0.833 114.1 50.7 -70.9 -31.2 -6.1 65.9 52.2 281 282 A R H < S+ 0 0 124 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.905 130.6 12.8 -71.8 -41.8 -7.8 68.5 54.5 282 283 A Y H < S+ 0 0 115 -4,-2.2 4,-0.4 -5,-0.2 -2,-0.2 0.418 103.1 88.8-117.3 -4.5 -8.9 70.8 51.7 283 284 A G X + 0 0 0 -4,-2.1 4,-2.6 -5,-0.3 5,-0.2 0.593 56.2 92.2 -84.5 -10.5 -8.6 69.0 48.4 284 285 A K H > S+ 0 0 76 -4,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.885 89.6 44.6 -56.0 -47.6 -11.8 67.2 47.9 285 286 A P H > S+ 0 0 64 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.885 113.6 51.6 -64.1 -37.8 -13.7 69.9 45.8 286 287 A W H > S+ 0 0 3 -4,-0.4 4,-3.0 2,-0.2 -2,-0.2 0.917 110.4 49.0 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112.4 49.0 -63.3 -38.2 -13.6 65.4 29.2 297 298 A N H X S+ 0 0 1 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.913 113.6 45.3 -66.5 -41.6 -9.9 65.2 28.0 298 299 A I H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.916 113.1 50.5 -68.5 -43.0 -9.9 61.4 27.7 299 300 A Q H X S+ 0 0 63 -4,-2.7 4,-2.2 -5,-0.2 5,-0.2 0.922 111.0 49.8 -62.1 -41.4 -13.3 61.4 25.9 300 301 A F H X S+ 0 0 38 -4,-2.3 4,-3.1 -5,-0.2 -2,-0.2 0.940 111.8 48.0 -59.4 -49.6 -11.9 64.0 23.5 301 302 A A H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.900 111.5 48.7 -60.4 -46.6 -8.8 62.0 22.9 302 303 A V H X S+ 0 0 38 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.931 116.8 42.8 -60.1 -46.8 -10.6 58.7 22.3 303 304 A E H X S+ 0 0 122 -4,-2.2 4,-1.7 -5,-0.2 -2,-0.2 0.920 114.4 49.6 -66.8 -44.3 -13.0 60.4 19.9 304 305 A Y H X S+ 0 0 48 -4,-3.1 4,-2.5 -5,-0.2 5,-0.3 0.913 113.0 46.4 -62.5 -47.8 -10.4 62.4 18.1 305 306 A F H X S+ 0 0 1 -4,-2.6 4,-2.4 -5,-0.2 7,-0.3 0.880 107.8 57.5 -62.0 -39.8 -8.1 59.4 17.5 306 307 A A H < S+ 0 0 52 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.886 115.8 37.2 -57.7 -35.8 -11.1 57.3 16.3 307 308 A Q H < S+ 0 0 150 -4,-1.7 -2,-0.2 2,-0.2 -1,-0.2 0.892 126.8 31.5 -84.1 -41.0 -11.7 59.9 13.6 308 309 A E H < S+ 0 0 117 -4,-2.5 -3,-0.2 1,-0.2 -2,-0.2 0.660 134.6 19.9 -97.8 -21.7 -8.2 61.0 12.6 309 310 A A >< + 0 0 7 -4,-2.4 3,-1.9 -5,-0.3 -1,-0.2 -0.427 59.6 165.8-147.9 66.7 -6.3 57.8 13.1 310 311 A P T 3 S+ 0 0 105 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 0.770 78.2 64.7 -58.7 -21.1 -8.6 54.7 13.3 311 312 A R T 3 S+ 0 0 90 -6,-0.1 2,-0.4 -3,-0.1 18,-0.4 0.736 83.1 92.2 -71.4 -21.6 -5.5 52.4 12.9 312 313 A L S < S- 0 0 9 -3,-1.9 2,-0.6 -7,-0.3 15,-0.2 -0.618 75.2-142.3 -76.4 125.6 -4.2 53.7 16.3 313 314 A K E -M 326 0H 139 13,-2.2 13,-3.0 -2,-0.4 2,-0.5 -0.855 18.0-164.5 -98.7 119.0 -5.5 51.4 19.0 314 315 A V E -M 325 0H 41 -2,-0.6 2,-0.6 11,-0.2 11,-0.2 -0.922 12.8-150.0-114.2 116.8 -6.4 53.3 22.1 315 316 A M E -M 324 0H 20 9,-2.3 9,-0.6 -2,-0.5 -143,-0.1 -0.766 22.1-136.9 -82.6 118.9 -6.9 51.7 25.6 316 317 A K - 0 0 76 -2,-0.6 7,-0.1 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70.9 45.2 658 272 B L H > S+ 0 0 5 -419,-0.5 4,-3.0 2,-0.2 5,-0.3 0.834 104.0 63.8 -70.5 -32.3 12.7 73.0 48.2 659 273 B G H > S+ 0 0 0 1,-0.2 4,-1.3 -31,-0.2 -2,-0.2 0.944 109.3 40.4 -46.9 -51.7 15.7 70.9 49.2 660 274 B Y H X S+ 0 0 27 -4,-1.9 4,-1.7 1,-0.2 -2,-0.2 0.917 117.5 47.9 -63.8 -47.0 17.3 72.1 46.0 661 275 B I H X S+ 0 0 35 -4,-2.0 4,-2.4 1,-0.2 5,-0.2 0.911 109.1 49.9 -66.3 -47.1 16.1 75.7 46.3 662 276 B A H X S+ 0 0 0 -4,-3.0 4,-2.7 1,-0.2 -1,-0.2 0.866 110.7 49.5 -66.1 -37.4 17.1 76.4 49.9 663 277 B T H X S+ 0 0 1 -4,-1.3 4,-2.2 -5,-0.3 5,-0.2 0.917 112.3 46.9 -67.3 -45.4 20.7 75.1 49.6 664 278 B E H X S+ 0 0 29 -4,-1.7 4,-2.1 1,-0.2 -2,-0.2 0.920 116.3 46.1 -61.4 -45.1 21.3 77.2 46.4 665 279 B T H X S+ 0 0 3 -4,-2.4 4,-2.5 2,-0.2 5,-0.3 0.914 110.9 51.6 -62.4 -46.0 19.9 80.2 48.1 666 280 B A H X S+ 0 0 0 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.906 113.5 43.6 -61.6 -43.7 21.7 79.7 51.4 667 281 B Y H < S+ 0 0 9 -4,-2.2 4,-0.3 2,-0.2 -1,-0.2 0.879 114.2 50.5 -71.3 -37.3 25.1 79.4 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