==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE (O-GLYCOSYL) 11-JUL-94 2EXO . COMPND 2 MOLECULE: EXO-1,4-BETA-D-GLYCANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CELLULOMONAS FIMI; . AUTHOR A.WHITE,S.G.WITHERS,N.R.GILKES,D.R.ROSE . 312 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11885.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 231 74.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 49 15.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 9 2.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 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 . 18 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 108 34.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.3 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 3 0 1 1 0 2 1 0 1 1 0 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 3 5 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 0 PARALLEL BRIDGES PER LADDER . 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 1 0 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 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 1 A A 0 0 83 0, 0.0 3,-0.0 0, 0.0 308,-0.0 0.000 360.0 360.0 360.0 130.6 42.2 50.8 47.3 2 2 A T + 0 0 113 2,-0.0 2,-0.3 1,-0.0 3,-0.0 0.592 360.0 40.4 -86.5 -14.5 39.1 48.8 48.3 3 3 A T S > S- 0 0 20 1,-0.1 4,-2.1 306,-0.0 33,-0.1 -0.907 78.8-122.1-133.9 160.8 36.9 51.7 47.6 4 4 A L H > S+ 0 0 0 -2,-0.3 4,-3.3 2,-0.2 5,-0.2 0.805 115.7 60.7 -67.0 -30.7 36.4 54.5 45.2 5 5 A K H > S+ 0 0 61 30,-0.4 4,-3.0 2,-0.2 -1,-0.2 0.947 107.3 43.5 -61.1 -47.2 36.8 56.9 48.1 6 6 A E H > S+ 0 0 93 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.883 113.8 51.2 -63.3 -42.1 40.2 55.5 48.7 7 7 A A H X S+ 0 0 14 -4,-2.1 4,-1.1 1,-0.2 -2,-0.2 0.939 115.8 41.5 -61.5 -46.3 41.0 55.6 45.0 8 8 A A H <>S+ 0 0 0 -4,-3.3 5,-2.8 2,-0.2 4,-0.5 0.886 112.9 54.3 -68.9 -40.7 39.9 59.3 44.9 9 9 A D H ><5S+ 0 0 72 -4,-3.0 3,-1.9 -5,-0.2 -2,-0.2 0.961 107.6 49.1 -57.0 -54.5 41.6 60.2 48.2 10 10 A G H 3<5S+ 0 0 74 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.791 111.5 49.7 -56.7 -31.7 45.0 58.9 47.1 11 11 A A T 3<5S- 0 0 30 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.533 114.8-121.6 -84.0 -7.5 44.6 60.9 43.8 12 12 A G T < 5S+ 0 0 65 -3,-1.9 2,-0.3 -4,-0.5 -3,-0.2 0.856 70.3 122.7 69.7 39.5 43.7 63.9 45.9 13 13 A R < - 0 0 36 -5,-2.8 2,-0.3 -6,-0.1 256,-0.3 -0.867 63.0-110.2-129.9 164.8 40.3 64.4 44.2 14 14 A D E -a 269 0A 21 254,-2.0 256,-2.2 -2,-0.3 2,-0.4 -0.669 23.6-176.0 -95.3 142.5 36.6 64.5 45.2 15 15 A F E +a 270 0A 1 -2,-0.3 23,-2.5 254,-0.2 24,-1.1 -0.921 23.9 169.4-137.2 108.2 34.3 61.7 44.2 16 16 A G E -ab 271 39A 0 254,-2.1 256,-2.4 -2,-0.4 2,-0.3 -0.579 23.3-149.6-120.6 179.0 30.8 62.7 45.3 17 17 A F E -ab 272 40A 0 22,-0.9 24,-1.8 254,-0.2 2,-0.8 -0.965 28.5-105.4-147.9 154.9 27.2 61.7 45.0 18 18 A A E - b 0 41A 2 254,-0.9 2,-0.3 -2,-0.3 24,-0.2 -0.807 41.4-147.9 -85.5 112.3 23.8 63.3 45.0 19 19 A L E - b 0 42A 1 22,-2.9 24,-2.2 -2,-0.8 25,-0.5 -0.576 18.8-166.0 -88.0 134.1 22.2 62.5 48.3 20 20 A D > - 0 0 39 -2,-0.3 3,-2.2 22,-0.2 4,-0.2 -0.968 17.1-152.7-112.8 107.3 18.4 62.1 48.8 21 21 A P G > S+ 0 0 21 0, 0.0 3,-2.0 0, 0.0 4,-0.2 0.849 89.0 67.5 -50.9 -37.4 18.3 62.3 52.7 22 22 A N G 3 S+ 0 0 129 1,-0.3 3,-0.5 2,-0.1 -3,-0.0 0.661 94.6 57.9 -59.6 -16.2 15.1 60.2 52.8 23 23 A R G X S+ 0 0 83 -3,-2.2 3,-1.8 1,-0.2 7,-0.4 0.370 75.9 90.5 -94.2 -0.1 17.1 57.1 51.6 24 24 A L T < S+ 0 0 20 -3,-2.0 -1,-0.2 1,-0.3 -2,-0.1 0.698 79.2 66.6 -69.7 -12.5 19.6 57.1 54.4 25 25 A S T 3 S+ 0 0 112 -3,-0.5 2,-0.8 -4,-0.2 -1,-0.3 0.399 80.3 87.8 -86.9 4.3 17.2 54.8 56.2 26 26 A E S X> S- 0 0 49 -3,-1.8 4,-2.2 1,-0.1 3,-0.8 -0.904 76.7-144.5-106.9 107.9 17.8 52.1 53.6 27 27 A A H 3> S+ 0 0 84 -2,-0.8 4,-2.0 1,-0.3 -1,-0.1 0.754 94.6 46.8 -40.8 -47.2 20.7 50.1 54.9 28 28 A Q H 3> S+ 0 0 98 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.852 112.2 52.3 -69.4 -35.1 22.4 49.3 51.6 29 29 A Y H <> S+ 0 0 7 -3,-0.8 4,-3.2 2,-0.2 -2,-0.2 0.974 112.3 44.1 -62.9 -54.2 22.1 52.9 50.4 30 30 A K H X S+ 0 0 83 -4,-2.2 4,-3.0 -7,-0.4 5,-0.2 0.878 110.5 55.7 -59.2 -40.0 23.7 54.3 53.6 31 31 A A H X S+ 0 0 40 -4,-2.0 4,-1.6 -5,-0.3 -1,-0.2 0.926 112.8 40.8 -59.5 -48.0 26.5 51.7 53.5 32 32 A I H X S+ 0 0 10 -4,-1.9 4,-2.7 2,-0.2 3,-0.4 0.972 114.5 54.1 -65.8 -45.7 27.5 52.6 50.0 33 33 A A H X S+ 0 0 0 -4,-3.2 4,-0.7 1,-0.3 -2,-0.2 0.874 112.2 42.8 -55.5 -43.2 27.0 56.3 50.8 34 34 A D H < S+ 0 0 52 -4,-3.0 -1,-0.3 -5,-0.2 -2,-0.2 0.808 122.0 39.3 -73.4 -29.7 29.4 56.1 53.8 35 35 A S H < S+ 0 0 59 -4,-1.6 -30,-0.4 -3,-0.4 -2,-0.2 0.843 115.4 39.0 -91.9 -39.3 32.0 53.9 52.1 36 36 A E H < S+ 0 0 17 -4,-2.7 2,-0.3 -5,-0.2 -3,-0.1 0.625 102.6 62.3 -94.2 -13.2 32.5 55.0 48.5 37 37 A F < - 0 0 0 -4,-0.7 -21,-0.2 -5,-0.4 -32,-0.1 -0.774 40.6-174.0-119.0 157.1 32.3 58.8 48.5 38 38 A N S S+ 0 0 13 -23,-2.5 38,-2.7 -2,-0.3 2,-0.3 0.314 79.0 48.2-123.6 3.7 34.2 61.7 50.0 39 39 A L E -bc 16 76A 0 -24,-1.1 -22,-0.9 36,-0.3 2,-0.3 -0.970 63.4-164.9-143.6 149.8 31.9 64.5 48.8 40 40 A V E -bc 17 77A 0 36,-2.2 38,-2.4 -2,-0.3 2,-0.3 -0.988 4.9-175.6-139.6 147.3 28.1 64.9 49.0 41 41 A V E -bc 18 78A 2 -24,-1.8 -22,-2.9 -2,-0.3 2,-0.5 -0.975 34.3-110.3-137.7 144.9 25.6 67.2 47.3 42 42 A A E -b 19 0A 0 36,-0.7 4,-0.2 -2,-0.3 -22,-0.2 -0.719 18.7-153.0 -78.9 127.1 21.9 67.5 47.9 43 43 A E S S- 0 0 30 -24,-2.2 -1,-0.2 -2,-0.5 -23,-0.1 0.963 87.7 -19.4 -62.0 -45.3 20.0 66.2 44.9 44 44 A N S > S+ 0 0 66 -25,-0.5 3,-1.3 -3,-0.1 6,-0.3 0.541 113.1 93.8-137.8 -20.2 17.0 68.5 45.7 45 45 A A T 3 S+ 0 0 9 -26,-0.4 18,-0.4 1,-0.2 19,-0.1 0.679 90.6 45.5 -55.6 -23.2 17.2 69.6 49.3 46 46 A M T 3 S+ 0 0 0 34,-0.5 -1,-0.2 -4,-0.2 2,-0.1 0.356 85.8 111.5-107.5 7.9 19.0 72.9 48.6 47 47 A K S X> S- 0 0 11 -3,-1.3 4,-1.5 1,-0.1 3,-0.8 -0.343 81.2-100.2 -78.7 162.2 17.1 74.2 45.6 48 48 A W H 3> S+ 0 0 8 33,-0.3 4,-2.9 1,-0.3 3,-0.5 0.861 120.0 49.3 -49.7 -49.9 14.9 77.3 45.6 49 49 A D H 34 S+ 0 0 60 38,-1.1 -1,-0.3 1,-0.2 39,-0.1 0.837 113.1 47.3 -64.7 -30.2 11.6 75.5 45.9 50 50 A A H <4 S+ 0 0 36 -3,-0.8 -1,-0.2 -6,-0.3 -2,-0.2 0.709 121.5 36.1 -83.9 -17.6 12.8 73.4 48.8 51 51 A T H < S+ 0 0 0 -4,-1.5 8,-2.6 -3,-0.5 -2,-0.2 0.729 128.9 23.8-105.6 -34.3 14.3 76.3 50.6 52 52 A E < + 0 0 1 -4,-2.9 6,-0.2 6,-0.2 -1,-0.2 -0.562 63.3 161.9-133.3 70.0 11.9 79.3 50.1 53 53 A P S S+ 0 0 60 0, 0.0 2,-0.3 0, 0.0 38,-0.3 0.716 76.5 28.5 -62.5 -20.0 8.5 77.7 49.2 54 54 A S B > S-I 57 0B 65 3,-0.8 3,-2.6 -3,-0.1 36,-0.0 -0.986 112.1 -79.0-138.8 143.7 6.8 81.1 50.0 55 55 A Q T 3 S- 0 0 93 -2,-0.3 3,-0.0 1,-0.3 48,-0.0 -0.167 114.4 -4.5 -49.3 127.7 8.4 84.5 49.7 56 56 A N T 3 S+ 0 0 109 1,-0.1 2,-0.6 47,-0.1 -1,-0.3 0.574 105.0 113.6 63.4 14.8 10.7 85.2 52.7 57 57 A S B < -I 54 0B 61 -3,-2.6 -3,-0.8 2,-0.0 2,-0.2 -0.839 52.4-163.0-118.8 92.3 9.7 81.9 54.4 58 58 A F - 0 0 50 -2,-0.6 2,-0.5 -6,-0.2 -6,-0.2 -0.537 13.4-166.4 -84.2 140.2 12.7 79.6 54.5 59 59 A S + 0 0 63 -8,-2.6 4,-0.2 -2,-0.2 3,-0.1 -0.945 16.5 163.6-124.8 103.4 12.7 75.9 55.1 60 60 A F > + 0 0 34 -2,-0.5 4,-3.4 1,-0.1 5,-0.3 0.362 42.5 105.9-103.4 5.4 16.1 74.5 55.9 61 61 A G H > S+ 0 0 52 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.935 87.0 36.8 -49.0 -64.4 15.2 71.1 57.3 62 62 A A H > S+ 0 0 50 -12,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.877 118.1 52.5 -58.2 -39.4 16.1 68.9 54.4 63 63 A G H > S+ 0 0 1 -18,-0.4 4,-2.3 -4,-0.2 3,-0.2 0.945 110.3 47.2 -62.9 -46.2 19.1 71.1 53.6 64 64 A D H X S+ 0 0 56 -4,-3.4 4,-2.8 1,-0.2 -1,-0.2 0.848 106.2 59.7 -63.6 -34.4 20.4 70.8 57.2 65 65 A R H X S+ 0 0 109 -4,-2.0 4,-1.9 -5,-0.3 -1,-0.2 0.918 108.1 44.3 -61.2 -39.8 19.8 67.1 57.1 66 66 A V H X S+ 0 0 0 -4,-1.7 4,-2.2 -3,-0.2 -2,-0.2 0.928 113.5 50.3 -71.2 -42.0 22.3 66.8 54.1 67 67 A A H X S+ 0 0 7 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.878 109.1 51.9 -65.0 -35.9 24.8 69.2 55.8 68 68 A S H X S+ 0 0 54 -4,-2.8 4,-2.9 1,-0.2 5,-0.2 0.921 108.5 51.9 -65.8 -40.5 24.6 67.1 59.0 69 69 A Y H X S+ 0 0 5 -4,-1.9 4,-1.8 -5,-0.2 -2,-0.2 0.908 109.2 49.0 -61.5 -46.0 25.3 64.0 57.1 70 70 A A H X>S+ 0 0 3 -4,-2.2 5,-2.5 2,-0.2 4,-1.1 0.968 115.0 45.1 -57.2 -52.6 28.4 65.5 55.4 71 71 A A H <5S+ 0 0 77 -4,-2.5 -2,-0.2 1,-0.2 3,-0.2 0.884 113.1 48.8 -59.4 -43.3 29.7 66.7 58.8 72 72 A D H <5S+ 0 0 129 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.817 119.2 37.8 -68.6 -32.9 29.1 63.5 60.7 73 73 A T H <5S- 0 0 48 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.514 111.5-116.5 -98.8 -0.5 30.7 61.3 58.0 74 74 A G T <5 + 0 0 62 -4,-1.1 2,-0.3 1,-0.2 -3,-0.2 0.859 61.9 146.4 70.6 39.8 33.5 63.7 57.2 75 75 A K < - 0 0 17 -5,-2.5 -36,-0.3 -6,-0.2 -1,-0.2 -0.744 53.6-106.0-108.8 155.2 32.6 64.5 53.6 76 76 A E E -c 39 0A 59 -38,-2.7 -36,-2.2 -2,-0.3 2,-0.5 -0.435 35.4-134.9 -71.4 148.7 33.0 67.7 51.6 77 77 A L E -c 40 0A 6 41,-0.3 43,-2.3 -38,-0.2 44,-0.8 -0.968 16.3-166.2-112.6 129.6 29.7 69.5 51.0 78 78 A Y E -cd 41 121A 5 -38,-2.4 -36,-0.7 -2,-0.5 2,-0.5 -0.945 18.1-134.3-113.3 130.9 28.8 70.9 47.6 79 79 A G E - d 0 122A 0 42,-3.8 44,-2.2 -2,-0.4 2,-0.4 -0.759 14.6-150.5 -93.1 128.6 25.9 73.4 47.4 80 80 A H E - d 0 123A 3 -2,-0.5 -34,-0.5 1,-0.2 -38,-0.1 -0.952 53.4 -12.6-141.6 115.4 23.3 73.0 44.7 81 81 A T E + 0 0 1 42,-0.5 -33,-0.3 -2,-0.4 -1,-0.2 0.682 34.9 163.7-154.4 152.6 21.9 75.5 43.8 82 82 A L E S+ 0 0 1 41,-2.3 2,-0.5 1,-0.2 43,-0.2 0.966 86.6 25.7 -76.6 -61.2 21.2 79.2 44.3 83 83 A V E S+ d 0 125A 2 41,-2.0 43,-2.1 40,-0.3 2,-0.3 -0.964 72.4 146.2-113.3 117.7 19.8 80.6 41.0 84 84 A W - 0 0 34 -2,-0.5 43,-0.1 41,-0.2 -36,-0.1 -0.927 44.9-141.7-153.3 128.6 18.1 78.2 38.6 85 85 A H S S+ 0 0 30 41,-0.5 3,-0.4 -2,-0.3 2,-0.2 0.765 85.5 74.8 -61.4 -30.0 15.2 78.7 36.2 86 86 A S S S+ 0 0 46 1,-0.2 -38,-0.2 53,-0.0 -2,-0.1 -0.629 97.7 20.7 -85.4 150.3 13.8 75.2 37.0 87 87 A Q S S+ 0 0 66 1,-0.2 -38,-1.1 -2,-0.2 -1,-0.2 0.947 80.7 155.1 58.9 47.9 12.0 74.5 40.2 88 88 A L - 0 0 7 -3,-0.4 -1,-0.2 -40,-0.1 5,-0.1 -0.953 46.0-120.6-105.5 117.9 11.2 78.1 40.8 89 89 A P >> - 0 0 18 0, 0.0 3,-1.4 0, 0.0 4,-1.3 -0.308 23.9-112.1 -58.1 148.8 8.2 78.5 43.0 90 90 A D H 3> S+ 0 0 115 1,-0.3 4,-0.7 2,-0.2 -36,-0.1 0.804 112.6 65.2 -54.6 -34.5 5.3 80.4 41.4 91 91 A W H 34 S+ 0 0 42 -38,-0.3 3,-0.4 1,-0.2 -1,-0.3 0.877 105.4 47.3 -57.8 -34.3 5.5 83.4 43.8 92 92 A A H X4 S+ 0 0 1 -3,-1.4 3,-1.8 1,-0.2 -1,-0.2 0.913 107.3 52.6 -72.4 -45.8 8.9 84.1 42.3 93 93 A K H 3< S+ 0 0 107 -4,-1.3 -1,-0.2 1,-0.3 -2,-0.2 0.551 106.9 60.6 -65.5 -8.9 7.8 83.7 38.7 94 94 A N T 3< S+ 0 0 134 -4,-0.7 2,-0.3 -3,-0.4 -1,-0.3 0.412 85.8 88.2 -99.1 -2.8 5.1 86.2 39.7 95 95 A L < - 0 0 31 -3,-1.8 2,-0.3 4,-0.1 49,-0.0 -0.755 63.6-149.9 -96.6 147.5 7.4 89.1 40.7 96 96 A N >> - 0 0 120 -2,-0.3 4,-1.2 4,-0.0 3,-0.9 -0.841 41.8 -42.2-122.4 154.4 8.6 91.7 38.2 97 97 A G H >> S+ 0 0 27 -2,-0.3 4,-2.1 1,-0.2 3,-0.8 0.072 126.6 9.5 37.8-128.4 11.7 93.8 37.7 98 98 A S H 3> S+ 0 0 94 1,-0.3 4,-2.2 2,-0.2 3,-0.3 0.877 131.4 53.5 -41.9 -55.3 12.9 95.4 40.9 99 99 A A H <> S+ 0 0 43 -3,-0.9 4,-1.6 1,-0.3 -1,-0.3 0.884 111.6 47.3 -50.7 -42.0 10.6 93.3 43.1 100 100 A F H < S+ 0 0 84 -4,-2.5 3,-1.2 -5,-0.3 -2,-0.2 0.908 107.9 55.7 -63.3 -41.7 24.5 82.8 54.9 114 114 A H H 3< S+ 0 0 64 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.794 116.1 36.2 -63.3 -29.4 22.7 79.9 56.5 115 115 A F T >X S+ 0 0 0 -4,-1.0 3,-2.7 -3,-0.4 4,-2.2 0.296 83.2 143.3-107.1 9.7 25.2 77.3 55.2 116 116 A E T <4 S+ 0 0 77 -3,-1.2 4,-0.1 -4,-0.4 -3,-0.1 -0.217 75.4 13.6 -51.2 134.0 28.3 79.5 55.6 117 117 A G T 34 S+ 0 0 70 2,-0.4 -1,-0.3 1,-0.1 3,-0.1 0.363 123.4 66.4 79.3 -7.9 31.2 77.5 56.7 118 118 A K T <4 S+ 0 0 119 -3,-2.7 2,-0.6 1,-0.2 -41,-0.3 0.755 89.0 61.8-106.4 -48.7 29.4 74.2 55.9 119 119 A V < - 0 0 3 -4,-2.2 -2,-0.4 -7,-0.2 -1,-0.2 -0.713 61.9-170.3 -81.6 121.0 29.1 74.4 52.1 120 120 A A S S+ 0 0 40 -43,-2.3 45,-2.6 -2,-0.6 2,-0.3 0.794 71.9 15.9 -80.9 -33.8 32.5 74.5 50.5 121 121 A S E -de 78 165A 6 -44,-0.8 -42,-3.8 43,-0.2 2,-0.4 -0.997 68.8-153.4-142.3 144.0 31.4 75.3 46.9 122 122 A W E -de 79 166A 1 43,-2.8 45,-3.3 -2,-0.3 2,-1.3 -0.929 20.6-137.4-120.1 143.2 28.1 76.6 45.5 123 123 A D E +de 80 167A 1 -44,-2.2 -41,-2.3 -2,-0.4 -42,-0.5 -0.862 34.1 176.9 -89.2 94.6 26.5 76.3 42.1 124 124 A V E + 0 0 0 43,-2.3 -41,-2.0 -2,-1.3 2,-0.4 0.916 67.3 19.4 -69.3 -47.5 25.6 80.0 42.2 125 125 A V E S-de 83 168A 1 42,-1.1 44,-2.4 -3,-0.2 2,-0.4 -0.993 74.2-167.2-126.2 131.1 24.1 80.0 38.7 126 126 A N E - e 0 169A 4 -43,-2.1 -41,-0.5 -2,-0.4 44,-0.2 -0.976 63.5 -5.1-121.2 135.7 22.9 76.9 37.0 127 127 A E + 0 0 19 42,-2.5 -1,-0.2 -2,-0.4 -42,-0.1 0.838 68.9 151.9 53.7 52.4 22.0 76.4 33.3 128 128 A A + 0 0 0 41,-0.4 8,-3.2 -3,-0.1 2,-0.2 0.771 49.7 77.7 -81.6 -26.8 22.2 80.0 32.2 129 129 A F B S-J 135 0C 6 6,-0.3 2,-0.3 1,-0.1 6,-0.3 -0.483 73.0-126.8 -93.0 155.2 23.1 79.2 28.5 130 130 A A > - 0 0 21 4,-2.2 3,-1.7 -2,-0.2 2,-0.2 -0.684 34.4-103.9 -92.2 145.7 21.0 78.0 25.6 131 131 A D T 3 S+ 0 0 87 -2,-0.3 42,-0.1 1,-0.3 -1,-0.1 -0.551 113.4 33.9 -66.9 132.0 22.0 74.9 23.6 132 132 A G T 3 S- 0 0 63 -2,-0.2 -1,-0.3 2,-0.0 47,-0.1 0.525 131.3 -67.3 96.4 6.9 23.6 76.3 20.4 133 133 A G S < S+ 0 0 21 -3,-1.7 46,-0.2 1,-0.2 2,-0.1 -0.003 93.3 69.2 93.5 155.7 25.1 79.3 22.1 134 134 A G S S- 0 0 38 44,-0.4 -4,-2.2 45,-0.1 2,-0.2 -0.343 85.8 -45.1 93.0-177.9 23.5 82.4 23.7 135 135 A R B -J 129 0C 46 -6,-0.3 -6,-0.3 -2,-0.1 2,-0.3 -0.620 64.5 -94.9 -90.3 150.7 21.5 82.9 26.9 136 136 A R - 0 0 22 -8,-3.2 3,-0.5 -2,-0.2 6,-0.1 -0.482 34.1-162.3 -65.0 126.3 18.7 80.6 27.9 137 137 A Q S S+ 0 0 148 -2,-0.3 -1,-0.2 1,-0.2 6,-0.1 0.850 81.8 58.8 -82.4 -37.0 15.5 82.3 26.7 138 138 A D S S+ 0 0 97 4,-0.1 2,-0.5 5,-0.0 -1,-0.2 0.198 80.5 115.0 -79.3 17.6 12.9 80.4 28.8 139 139 A S > - 0 0 2 -3,-0.5 4,-2.8 1,-0.2 5,-0.2 -0.786 58.9-151.9 -92.8 130.3 14.6 81.6 32.1 140 140 A A H > S+ 0 0 15 -2,-0.5 4,-2.3 1,-0.2 5,-0.3 0.841 100.6 55.0 -64.9 -30.0 12.6 83.9 34.3 141 141 A F H >>S+ 0 0 1 2,-0.2 4,-2.2 1,-0.2 5,-0.6 0.944 110.9 42.8 -68.5 -44.9 15.9 85.4 35.5 142 142 A Q H >5S+ 0 0 23 3,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.922 116.6 48.4 -66.0 -47.0 17.0 86.2 31.9 143 143 A Q H <5S+ 0 0 129 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.910 120.1 34.6 -61.2 -48.0 13.6 87.6 30.9 144 144 A K H <5S+ 0 0 59 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.783 133.9 22.8 -82.9 -26.6 13.1 89.8 33.9 145 145 A L H ><5S- 0 0 42 -4,-2.2 3,-0.6 -5,-0.3 -3,-0.2 0.618 91.3-149.5-116.2 -16.7 16.6 90.9 34.6 146 146 A G G ><< - 0 0 26 -4,-1.9 3,-1.6 -5,-0.6 -1,-0.1 -0.197 56.6 -26.7 75.9-171.1 18.5 90.5 31.3 147 147 A N G > S+ 0 0 102 1,-0.3 3,-0.5 2,-0.1 4,-0.4 0.608 125.0 67.5 -52.8 -26.1 22.1 89.7 31.0 148 148 A G G <> S+ 0 0 38 -3,-0.6 4,-2.2 1,-0.2 -1,-0.3 0.577 72.8 86.8 -79.2 -8.0 23.3 91.2 34.3 149 149 A Y H <> S+ 0 0 5 -3,-1.6 4,-2.9 1,-0.2 5,-0.2 0.878 82.7 59.3 -60.3 -39.0 21.6 88.8 36.7 150 150 A I H <> S+ 0 0 0 -3,-0.5 4,-2.1 1,-0.2 -1,-0.2 0.951 109.1 44.5 -54.7 -49.4 24.5 86.4 36.6 151 151 A E H > S+ 0 0 47 -4,-0.4 4,-2.1 2,-0.2 5,-0.2 0.908 111.9 52.3 -62.0 -44.4 26.9 89.0 37.9 152 152 A T H X S+ 0 0 43 -4,-2.2 4,-2.6 1,-0.2 3,-0.3 0.975 109.4 50.2 -56.1 -53.0 24.4 90.2 40.5 153 153 A A H X S+ 0 0 0 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.866 111.3 47.6 -51.8 -45.9 24.0 86.7 41.9 154 154 A F H X S+ 0 0 0 -4,-2.1 4,-2.4 -5,-0.2 -1,-0.2 0.863 113.0 47.5 -67.9 -38.0 27.7 86.1 42.2 155 155 A R H X S+ 0 0 110 -4,-2.1 4,-1.6 -3,-0.3 -2,-0.2 0.890 111.9 50.0 -71.6 -37.0 28.4 89.4 43.9 156 156 A A H X S+ 0 0 18 -4,-2.6 4,-1.3 -5,-0.2 -2,-0.2 0.928 112.9 48.8 -65.9 -41.2 25.6 88.8 46.3 157 157 A A H X S+ 0 0 1 -4,-2.3 4,-2.2 -5,-0.3 3,-0.4 0.912 108.5 50.2 -65.9 -44.6 26.9 85.3 47.1 158 158 A R H < S+ 0 0 56 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.849 111.9 51.2 -62.5 -33.4 30.6 86.4 47.7 159 159 A A H < S+ 0 0 79 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.793 112.5 43.7 -74.5 -29.2 29.3 89.0 50.0 160 160 A A H < S+ 0 0 12 -4,-1.3 -2,-0.2 -3,-0.4 -1,-0.2 0.785 130.9 22.4 -85.9 -28.1 27.1 86.5 52.0 161 161 A D >< - 0 0 2 -4,-2.2 3,-0.5 -5,-0.1 -1,-0.3 -0.776 69.9-171.0-141.4 92.6 29.8 83.8 52.2 162 162 A P T 3 S+ 0 0 78 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 0.533 82.4 35.0 -61.3 -15.5 33.3 85.3 51.7 163 163 A T T 3 S+ 0 0 105 2,-0.1 -5,-0.1 -42,-0.0 3,-0.0 0.557 82.1 107.8-119.7 -13.2 35.1 81.9 51.4 164 164 A A S < S- 0 0 3 -3,-0.5 2,-0.5 -7,-0.2 -43,-0.2 -0.386 77.1-112.3 -63.1 145.1 32.8 79.4 49.6 165 165 A K E -e 121 0A 93 -45,-2.6 -43,-2.8 33,-0.1 2,-0.7 -0.742 32.1-143.4 -79.7 126.5 34.1 78.7 46.0 166 166 A L E -e 122 0A 0 -2,-0.5 32,-3.3 -45,-0.2 33,-1.4 -0.866 24.2-177.4 -98.4 113.6 31.4 80.2 43.7 167 167 A a E -ef 123 199A 1 -45,-3.3 -43,-2.3 -2,-0.7 -42,-1.1 -0.678 25.9-143.6-111.0 163.7 30.7 78.1 40.5 168 168 A I E -ef 125 200A 2 31,-1.4 33,-2.9 -2,-0.2 2,-0.4 -0.965 28.1-162.1-119.7 132.6 28.6 78.4 37.4 169 169 A N E +ef 126 201A 0 -44,-2.4 -42,-2.5 -2,-0.4 -41,-0.4 -0.937 17.2 153.8-122.9 146.4 27.3 75.0 36.2 170 170 A D E - f 0 202A 1 31,-1.5 33,-3.1 -2,-0.4 34,-0.3 -0.981 29.9-127.0-160.5 168.9 25.8 73.7 32.9 171 171 A Y S S+ 0 0 56 -2,-0.3 35,-0.0 31,-0.2 30,-0.0 -0.798 86.6 34.0-117.1 164.9 25.2 70.6 30.7 172 172 A N S S+ 0 0 73 -2,-0.3 8,-0.3 1,-0.1 7,-0.2 0.879 90.5 98.5 55.6 38.9 26.1 70.1 27.0 173 173 A V + 0 0 0 -3,-0.2 -1,-0.1 6,-0.2 4,-0.1 0.005 47.2 103.9-134.3 16.3 29.2 72.2 27.6 174 174 A E S S+ 0 0 4 2,-0.1 44,-0.2 44,-0.0 2,-0.2 0.813 83.3 35.3 -73.3 -31.5 31.4 69.2 27.9 175 175 A G S S- 0 0 6 43,-0.1 2,-0.4 42,-0.1 5,-0.3 -0.648 105.2 -78.0-116.1 174.2 32.9 69.5 24.5 176 176 A I S S+ 0 0 81 -2,-0.2 2,-0.3 4,-0.1 -2,-0.1 -0.638 76.5 116.8 -77.4 124.5 33.8 72.5 22.3 177 177 A N S > S- 0 0 60 -2,-0.4 4,-1.9 -4,-0.1 5,-0.2 -0.933 79.0 -70.6-167.1-174.3 30.7 73.9 20.8 178 178 A A H > S+ 0 0 44 -2,-0.3 4,-1.1 2,-0.2 -44,-0.4 0.708 126.6 49.6 -67.8 -26.7 28.5 77.0 20.7 179 179 A K H > S+ 0 0 2 -7,-0.2 4,-2.0 -46,-0.2 -1,-0.2 0.945 114.6 41.4 -77.6 -49.8 27.2 76.5 24.2 180 180 A S H > S+ 0 0 0 -8,-0.3 4,-2.5 -5,-0.3 -2,-0.2 0.773 112.4 57.8 -68.9 -22.8 30.6 76.0 25.9 181 181 A N H X S+ 0 0 63 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.917 106.7 46.7 -71.6 -42.9 32.1 78.8 23.8 182 182 A S H X S+ 0 0 26 -4,-1.1 4,-1.7 2,-0.2 -2,-0.2 0.876 113.6 49.7 -64.3 -36.5 29.5 81.2 25.2 183 183 A L H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.923 108.9 52.5 -66.6 -43.7 30.3 79.9 28.7 184 184 A Y H X S+ 0 0 61 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.896 107.6 51.9 -57.3 -44.8 34.0 80.4 28.0 185 185 A D H X S+ 0 0 88 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.875 109.4 49.9 -61.2 -40.9 33.3 84.0 27.0 186 186 A L H X S+ 0 0 14 -4,-1.7 4,-2.7 2,-0.2 -2,-0.2 0.939 111.5 46.7 -65.9 -47.0 31.4 84.7 30.2 187 187 A V H X S+ 0 0 0 -4,-2.4 4,-3.1 1,-0.2 5,-0.2 0.964 111.9 50.9 -59.6 -51.8 34.2 83.2 32.5 188 188 A K H X S+ 0 0 115 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.892 113.4 46.1 -52.4 -45.7 36.9 85.1 30.7 189 189 A D H X S+ 0 0 71 -4,-1.9 4,-2.6 -5,-0.2 -1,-0.2 0.952 112.5 48.6 -65.0 -50.7 35.0 88.4 31.0 190 190 A F H X>S+ 0 0 7 -4,-2.7 5,-2.4 2,-0.2 4,-0.5 0.923 112.7 49.3 -54.2 -49.0 34.1 87.9 34.7 191 191 A K H ><5S+ 0 0 73 -4,-3.1 3,-1.1 1,-0.2 -1,-0.2 0.932 112.6 46.5 -56.3 -52.3 37.7 87.1 35.5 192 192 A A H 3<5S+ 0 0 89 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.839 116.4 45.0 -60.7 -37.7 39.1 90.1 33.7 193 193 A R H 3<5S- 0 0 107 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.394 114.8-115.0 -87.9 -1.1 36.5 92.4 35.3 194 194 A G T <<5 + 0 0 53 -3,-1.1 -3,-0.2 -4,-0.5 -4,-0.1 0.642 55.9 159.3 78.1 17.3 37.0 90.9 38.7 195 195 A V < - 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