==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 03-JUL-08 3DO2 . COMPND 2 MOLECULE: THERMOLYSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS THERMOPROTEOLYTICUS; . AUTHOR E.PECHKOVA,S.K.TRIPATHI,C.NICOLINI . 318 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12518.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 228 71.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 3.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 34 10.7 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 20 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 106 33.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.2 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 0 1 0 0 0 0 0 0 1 1 1 1 1 0 0 0 0 1 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 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 0 0 PARALLEL BRIDGES PER LADDER . 1 5 2 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 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 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 I 0 0 80 0, 0.0 2,-0.5 0, 0.0 23,-0.0 0.000 360.0 360.0 360.0 158.7 8.3 51.5 64.1 2 2 A T + 0 0 136 21,-0.0 2,-0.2 23,-0.0 21,-0.0 -0.782 360.0 100.9 -87.4 131.2 6.2 54.6 64.6 3 3 A G - 0 0 41 -2,-0.5 2,-0.4 23,-0.0 22,-0.2 -0.852 70.0 -58.9-173.8-153.9 6.4 55.9 68.2 4 4 A T E -A 24 0A 101 20,-1.8 20,-2.9 -2,-0.2 2,-0.2 -0.953 48.9-108.3-118.9 142.7 8.1 58.5 70.4 5 5 A S E +A 23 0A 71 -2,-0.4 18,-0.2 18,-0.2 2,-0.2 -0.483 46.6 170.6 -69.2 132.3 11.8 59.0 70.9 6 6 A T E -A 22 0A 30 16,-2.9 16,-2.4 -2,-0.2 2,-0.4 -0.766 30.0-124.6-133.2 175.5 12.9 57.9 74.4 7 7 A V E -A 21 0A 88 -2,-0.2 14,-0.2 14,-0.2 2,-0.2 -0.980 27.2-177.6-132.3 119.4 16.2 57.3 76.3 8 8 A G E -A 20 0A 3 12,-3.2 12,-2.0 -2,-0.4 2,-0.3 -0.465 15.5-135.9-104.2 179.6 17.0 54.0 78.0 9 9 A V E +Ab 19 61A 33 51,-1.7 53,-3.1 10,-0.3 2,-0.3 -0.992 32.2 140.7-137.6 144.4 19.9 52.8 80.1 10 10 A G E -Ab 18 62A 0 8,-2.1 8,-2.3 -2,-0.3 2,-0.4 -0.936 42.8 -93.7-162.7-169.7 21.9 49.6 80.0 11 11 A R E -A 17 0A 106 51,-2.2 60,-0.3 -2,-0.3 6,-0.2 -0.957 31.3-142.6-124.5 137.4 25.2 47.8 80.3 12 12 A G > - 0 0 4 4,-2.3 3,-2.0 -2,-0.4 56,-0.2 -0.189 40.6 -82.3 -88.5-175.9 27.5 46.9 77.4 13 13 A V T 3 S+ 0 0 30 55,-0.5 122,-0.1 1,-0.3 55,-0.1 0.826 130.3 49.7 -58.0 -35.2 29.6 43.8 76.8 14 14 A L T 3 S- 0 0 76 121,-0.1 -1,-0.3 54,-0.1 178,-0.0 0.318 121.9-106.0 -88.6 7.1 32.5 45.1 79.0 15 15 A G S < S+ 0 0 46 -3,-2.0 2,-0.3 1,-0.3 -2,-0.1 0.615 71.8 144.4 81.4 13.7 30.0 45.9 81.8 16 16 A D - 0 0 49 1,-0.0 -4,-2.3 2,-0.0 2,-0.3 -0.658 47.4-126.3 -87.0 139.2 30.0 49.7 81.2 17 17 A Q E +A 11 0A 129 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.2 -0.654 37.4 161.9 -86.4 138.6 26.8 51.7 81.8 18 18 A K E -A 10 0A 14 -8,-2.3 -8,-2.1 -2,-0.3 2,-0.3 -0.993 37.2-115.6-152.0 151.5 25.5 53.9 78.9 19 19 A N E -A 9 0A 102 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.3 -0.641 31.4-163.2 -81.3 142.8 22.4 55.7 77.8 20 20 A I E -A 8 0A 3 -12,-2.0 -12,-3.2 -2,-0.3 2,-0.5 -0.988 21.5-118.6-129.3 143.3 20.8 54.6 74.5 21 21 A N E +A 7 0A 40 -2,-0.4 -14,-0.2 -14,-0.2 2,-0.2 -0.677 44.1 169.9 -78.0 125.6 18.3 56.3 72.3 22 22 A T E -A 6 0A 1 -16,-2.4 -16,-2.9 -2,-0.5 2,-0.4 -0.651 29.5-125.1-128.0 178.3 15.2 54.1 72.0 23 23 A T E -AC 5 29A 0 6,-1.9 6,-3.2 -18,-0.2 2,-0.5 -0.997 18.8-145.1-133.2 129.8 11.6 54.4 70.6 24 24 A Y E +AC 4 28A 101 -20,-2.9 -20,-1.8 -2,-0.4 4,-0.2 -0.847 39.6 134.8-101.4 128.0 8.5 53.7 72.6 25 25 A S S S- 0 0 49 2,-2.7 2,-2.2 -2,-0.5 -23,-0.0 -0.545 96.3 -44.3-164.2 92.5 5.3 52.1 71.2 26 26 A T S S+ 0 0 111 -2,-0.1 2,-0.2 32,-0.0 -2,-0.1 -0.429 140.6 36.1 72.3 -59.9 4.0 49.4 73.5 27 27 A Y S S- 0 0 114 -2,-2.2 -2,-2.7 -4,-0.1 2,-0.6 -0.685 93.2-110.0-105.1 168.3 7.6 48.2 73.9 28 28 A Y E -CD 24 57A 63 29,-3.1 29,-2.6 -2,-0.2 2,-0.3 -0.912 40.8-158.9 -97.3 121.4 10.8 50.2 74.0 29 29 A Y E -CD 23 56A 43 -6,-3.2 2,-2.3 -2,-0.6 -6,-1.9 -0.801 28.6-115.1-104.0 146.0 12.7 49.4 70.8 30 30 A L S S+ 0 0 0 25,-2.1 11,-2.4 -2,-0.3 2,-0.4 -0.550 72.6 129.0 -73.8 78.5 16.4 49.8 70.0 31 31 A Q E -E 40 0B 10 -2,-2.3 2,-0.7 9,-0.2 9,-0.2 -0.957 44.1-160.7-139.3 112.6 15.6 52.5 67.4 32 32 A D E > +E 39 0B 3 7,-2.6 7,-1.6 -2,-0.4 3,-0.5 -0.878 10.7 179.3 -99.5 107.4 17.5 55.8 67.7 33 33 A N T 3 + 0 0 57 -2,-0.7 -1,-0.1 -11,-0.3 5,-0.1 0.457 67.7 79.8 -87.6 -0.8 15.6 58.5 65.8 34 34 A T T 3 S+ 0 0 86 1,-0.2 2,-0.6 5,-0.1 -1,-0.2 0.596 84.5 64.8 -84.2 -12.0 18.2 61.2 66.6 35 35 A R S X S- 0 0 48 -3,-0.5 3,-2.1 4,-0.1 -1,-0.2 -0.899 111.8 -65.3-119.1 106.6 20.7 60.2 63.9 36 36 A G T 3 S- 0 0 24 -2,-0.6 62,-0.1 1,-0.3 3,-0.1 -0.285 112.8 -18.0 62.4-140.6 19.8 60.5 60.2 37 37 A N T 3 S- 0 0 107 60,-1.7 -1,-0.3 1,-0.3 62,-0.2 0.162 120.0 -81.9 -86.3 17.5 17.0 58.1 59.2 38 38 A G < - 0 0 1 -3,-2.1 62,-2.3 60,-0.1 2,-0.4 0.012 29.4-107.2 108.3 153.9 17.6 56.1 62.3 39 39 A I E -Ef 32 100B 0 -7,-1.6 -7,-2.6 60,-0.2 2,-0.4 -0.992 36.2-169.3-118.0 127.3 19.8 53.4 63.9 40 40 A F E -Ef 31 101B 21 60,-3.2 62,-2.0 -2,-0.4 2,-0.4 -0.967 6.2-163.2-126.1 127.3 18.0 50.1 64.3 41 41 A T E - f 0 102B 0 -11,-2.4 14,-2.8 -2,-0.4 -11,-0.3 -0.956 10.8-163.2-118.9 136.7 19.3 47.1 66.2 42 42 A Y E -Gf 54 103B 27 60,-3.1 62,-2.3 -2,-0.4 2,-0.6 -0.814 20.2-127.8-121.1 153.6 17.9 43.6 65.8 43 43 A D E -Gf 53 104B 25 10,-3.0 10,-2.2 -2,-0.3 62,-0.2 -0.901 14.7-174.0 -98.8 115.3 17.9 40.3 67.7 44 44 A A > - 0 0 3 60,-2.6 3,-2.4 -2,-0.6 5,-0.3 0.521 29.6-142.2 -86.8 -7.3 19.0 37.3 65.4 45 45 A K T 3 - 0 0 105 59,-0.3 61,-0.1 1,-0.3 60,-0.1 0.751 63.4 -57.9 58.0 31.2 18.2 34.9 68.3 46 46 A Y T 3 S+ 0 0 106 59,-2.4 -1,-0.3 1,-0.3 60,-0.1 0.506 114.4 113.7 74.4 6.6 21.1 32.6 67.5 47 47 A R S < S- 0 0 177 -3,-2.4 60,-2.5 58,-0.2 -1,-0.3 -0.437 71.0-130.1 -95.2 175.8 19.9 32.0 64.0 48 48 A T S S+ 0 0 83 58,-0.2 2,-0.2 -2,-0.1 -3,-0.1 0.267 72.3 112.9-109.7 5.2 21.5 33.1 60.6 49 49 A T - 0 0 103 -5,-0.3 -2,-0.1 2,-0.1 58,-0.1 -0.584 69.4-101.2 -72.1 142.3 18.3 34.6 59.3 50 50 A L S S- 0 0 51 -2,-0.2 -2,-0.1 1,-0.2 -6,-0.0 -0.977 81.0 -4.5-130.9 148.0 18.6 38.3 58.9 51 51 A P S S- 0 0 44 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.991 79.4-165.4 -82.1 -11.5 17.9 40.9 60.2 52 52 A G - 0 0 33 -8,-0.1 2,-0.4 51,-0.1 -8,-0.2 -0.764 48.7 -28.2 95.9-151.7 15.9 39.0 62.9 53 53 A S E -G 43 0B 51 -10,-2.2 -10,-3.0 -2,-0.3 2,-0.1 -0.800 66.3-103.2-106.0 141.7 13.5 41.1 65.0 54 54 A L E -G 42 0B 33 -2,-0.4 2,-0.3 -12,-0.2 -12,-0.3 -0.430 55.4 -97.9 -57.5 131.8 13.8 44.7 65.9 55 55 A W - 0 0 11 -14,-2.8 -25,-2.1 -25,-0.3 2,-0.4 -0.390 47.7-172.3 -67.1 121.2 15.0 44.7 69.5 56 56 A A E -D 29 0A 44 -2,-0.3 2,-0.4 -27,-0.2 -27,-0.2 -0.919 7.4-178.6-119.3 137.4 12.1 45.1 72.0 57 57 A D E -D 28 0A 22 -29,-2.6 -29,-3.1 -2,-0.4 3,-0.1 -0.993 24.4-141.0-139.1 139.3 12.3 45.6 75.7 58 58 A A S S+ 0 0 76 -2,-0.4 -1,-0.1 -31,-0.2 -29,-0.1 0.785 95.7 21.2 -71.1 -31.8 9.5 46.0 78.3 59 59 A D S S- 0 0 88 2,-0.3 -1,-0.2 -31,-0.1 3,-0.1 0.334 96.9-112.8-129.7 6.6 11.0 48.7 80.6 60 60 A N S S+ 0 0 15 1,-0.2 -51,-1.7 -32,-0.2 2,-0.4 0.726 81.2 118.8 66.8 20.3 13.8 50.6 78.7 61 61 A Q E -b 9 0A 101 -53,-0.2 2,-0.3 -51,-0.0 -2,-0.3 -0.989 43.8-170.8-117.3 127.9 16.4 49.1 81.0 62 62 A F E +b 10 0A 0 -53,-3.1 -51,-2.2 -2,-0.4 9,-0.1 -0.493 41.4 121.7-122.4 60.5 19.0 46.9 79.2 63 63 A F + 0 0 52 -2,-0.3 -1,-0.2 -53,-0.3 2,-0.1 0.336 38.6 111.0-106.2 3.2 21.1 45.3 82.0 64 64 A A S >> S- 0 0 51 -3,-0.2 4,-1.0 1,-0.1 3,-0.9 -0.497 75.8-122.5 -75.7 151.4 20.6 41.6 81.2 65 65 A S G >4 S+ 0 0 116 1,-0.3 3,-0.8 2,-0.2 -1,-0.1 0.916 116.2 56.9 -59.7 -37.8 23.6 39.7 79.9 66 66 A Y G 34 S+ 0 0 69 1,-0.2 4,-0.4 2,-0.1 -1,-0.3 0.796 105.0 54.3 -60.0 -26.8 21.5 38.8 76.8 67 67 A D G X> S+ 0 0 17 -3,-0.9 4,-2.4 1,-0.2 3,-0.6 0.751 85.9 83.4 -77.5 -28.0 21.1 42.6 76.3 68 68 A A H S+ 0 0 4 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.865 114.7 48.9 -57.2 -35.3 25.8 42.9 72.6 70 70 A A H <> S+ 0 0 0 -3,-0.6 4,-2.4 -4,-0.4 5,-0.3 0.914 107.1 53.8 -69.9 -46.7 22.7 44.9 71.5 71 71 A V H X S+ 0 0 0 -4,-2.4 4,-3.1 -60,-0.3 5,-0.2 0.951 114.7 41.4 -49.8 -51.5 23.4 47.8 73.8 72 72 A D H X S+ 0 0 0 -4,-2.2 4,-3.0 2,-0.2 5,-0.4 0.886 112.2 52.0 -71.1 -39.5 26.9 48.1 72.3 73 73 A A H X S+ 0 0 0 -4,-2.2 4,-1.5 -5,-0.2 -1,-0.2 0.932 117.4 42.1 -58.8 -41.2 26.0 47.5 68.6 74 74 A H H X S+ 0 0 4 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.956 118.4 43.0 -71.6 -51.3 23.4 50.2 69.0 75 75 A Y H X S+ 0 0 92 -4,-3.1 4,-2.0 -5,-0.3 -2,-0.2 0.915 115.9 46.6 -64.0 -47.1 25.5 52.7 71.0 76 76 A Y H X S+ 0 0 6 -4,-3.0 4,-2.4 2,-0.2 -1,-0.2 0.809 106.1 58.4 -72.2 -28.2 28.7 52.3 69.0 77 77 A A H X S+ 0 0 0 -4,-1.5 4,-2.5 -5,-0.4 -1,-0.2 0.920 107.6 50.6 -58.6 -42.2 26.8 52.6 65.7 78 78 A G H X S+ 0 0 1 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.930 109.2 48.5 -57.1 -49.7 25.7 56.0 67.1 79 79 A V H X S+ 0 0 15 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.905 111.9 49.7 -60.9 -42.7 29.3 57.0 68.0 80 80 A T H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 5,-0.2 0.915 109.3 51.5 -62.8 -43.5 30.5 56.0 64.5 81 81 A Y H X S+ 0 0 13 -4,-2.5 4,-2.4 1,-0.2 11,-0.3 0.927 110.5 49.6 -56.5 -43.9 27.6 58.0 62.9 82 82 A D H X S+ 0 0 36 -4,-2.4 4,-3.1 1,-0.2 5,-0.4 0.887 107.6 54.4 -66.3 -38.0 28.7 61.0 65.0 83 83 A Y H X>S+ 0 0 10 -4,-2.2 4,-2.6 2,-0.2 5,-0.7 0.956 111.6 43.2 -59.7 -51.1 32.3 60.6 63.9 84 84 A Y H X5S+ 0 0 5 -4,-2.2 6,-2.6 3,-0.2 4,-1.4 0.904 119.0 44.3 -65.7 -39.4 31.5 60.7 60.2 85 85 A K H X5S+ 0 0 89 -4,-2.4 4,-0.8 4,-0.3 -2,-0.2 0.939 121.8 35.3 -68.4 -49.9 29.1 63.6 60.6 86 86 A N H <5S+ 0 0 88 -4,-3.1 -2,-0.2 -5,-0.2 -3,-0.2 0.825 128.8 33.5 -78.3 -32.9 31.1 65.8 62.9 87 87 A V H <5S+ 0 0 63 -4,-2.6 -3,-0.2 -5,-0.4 -2,-0.2 0.856 135.6 18.2 -93.6 -38.3 34.5 65.0 61.5 88 88 A H H < - 0 0 61 -2,-0.5 6,-2.3 4,-0.3 4,-0.6 -0.774 63.6 -45.5 -95.9 102.7 25.6 61.8 56.9 92 92 A S T >4 S- 0 0 5 -2,-0.9 3,-0.7 -11,-0.3 7,-0.1 -0.012 92.7 -54.9 58.2-174.3 25.5 58.0 57.4 93 93 A Y T 34 S+ 0 0 22 5,-0.3 58,-0.2 1,-0.2 -1,-0.2 0.759 139.4 43.2 -72.5 -26.0 27.3 55.6 55.1 94 94 A D T 34 S- 0 0 48 -3,-0.2 -1,-0.2 4,-0.1 -2,-0.2 0.474 108.8-118.7 -96.9 -2.5 25.6 56.7 51.9 95 95 A G S << S+ 0 0 30 -3,-0.7 -4,-0.3 -4,-0.6 -3,-0.2 0.523 101.4 84.2 76.0 5.4 26.0 60.4 52.7 96 96 A N S S- 0 0 121 -5,-0.2 -4,-0.2 -6,-0.1 -3,-0.1 -0.071 112.8 -96.5-128.0 36.2 22.2 60.7 52.6 97 97 A N - 0 0 38 -6,-2.3 -60,-1.7 1,-0.2 -5,-0.2 0.797 54.8-172.8 55.8 35.0 21.4 59.6 56.2 98 98 A A - 0 0 14 -7,-0.5 -5,-0.3 -62,-0.1 -1,-0.2 -0.271 34.4 -97.0 -52.0 140.1 20.6 56.0 55.2 99 99 A A - 0 0 19 -62,-0.2 2,-0.6 -63,-0.1 -60,-0.2 -0.369 36.0-137.0 -61.0 139.6 19.1 54.0 58.1 100 100 A I E -f 39 0B 1 -62,-2.3 -60,-3.2 -3,-0.1 2,-0.4 -0.901 21.9-170.3-105.3 121.3 21.8 51.9 59.9 101 101 A R E +f 40 0B 90 -2,-0.6 19,-2.7 17,-0.3 2,-0.3 -0.916 7.4 177.0-116.0 135.6 20.8 48.4 60.8 102 102 A S E -fh 41 120B 0 -62,-2.0 -60,-3.1 -2,-0.4 2,-0.4 -0.997 12.2-158.2-132.4 142.8 22.7 45.9 63.0 103 103 A S E -fh 42 121B 0 17,-2.2 19,-2.2 -2,-0.3 2,-0.2 -0.955 11.4-169.6-117.3 138.8 21.9 42.3 64.1 104 104 A V E +f 43 0B 0 -62,-2.3 -60,-2.6 -2,-0.4 -59,-0.3 -0.716 63.8 45.2-118.6 174.3 23.4 40.7 67.2 105 105 A H S S+ 0 0 7 17,-0.3 -59,-2.4 -2,-0.2 2,-0.5 0.885 74.5 178.9 55.2 41.5 23.3 37.1 68.5 106 106 A Y - 0 0 35 16,-2.2 4,-0.5 -3,-0.2 18,-0.5 -0.639 49.8 -35.1 -75.6 123.6 24.1 36.0 65.0 107 107 A S S S- 0 0 33 -60,-2.5 2,-0.5 -2,-0.5 -60,-0.1 -0.007 94.9 -53.6 58.4-163.7 24.4 32.1 64.9 108 108 A Q S S- 0 0 157 1,-0.2 -1,-0.1 15,-0.1 18,-0.1 -0.959 111.0 -18.9-118.4 123.1 25.9 30.1 67.8 109 109 A G S S+ 0 0 36 -2,-0.5 2,-0.5 16,-0.3 17,-0.2 0.814 84.8 179.3 53.4 37.4 29.3 30.8 69.2 110 110 A Y - 0 0 73 -4,-0.5 15,-1.9 15,-0.3 2,-1.1 -0.578 21.8-155.1 -79.4 117.8 30.1 32.8 66.0 111 111 A N + 0 0 45 -2,-0.5 2,-0.3 14,-0.1 -1,-0.1 -0.252 63.9 49.7 -90.1 50.1 33.7 34.2 66.1 112 112 A N - 0 0 30 -2,-1.1 11,-2.4 206,-0.1 2,-0.3 -0.968 55.9-149.2-165.0 178.1 33.2 37.1 63.7 113 113 A A E +I 122 0B 0 -2,-0.3 206,-0.3 9,-0.2 2,-0.3 -0.941 22.7 173.8-152.6 160.7 31.2 40.1 62.5 114 114 A F E -I 121 0B 51 7,-2.3 7,-2.4 -2,-0.3 2,-0.5 -0.995 37.6-115.9-164.7 160.1 30.6 41.6 59.1 115 115 A W E -I 120 0B 26 -2,-0.3 5,-0.2 5,-0.2 -13,-0.0 -0.949 28.4-166.5 -98.1 125.4 28.9 44.1 56.9 116 116 A N - 0 0 68 3,-2.3 4,-0.1 -2,-0.5 -1,-0.1 0.243 53.0 -88.8-103.1 12.6 26.8 42.1 54.4 117 117 A G S S+ 0 0 41 2,-0.2 3,-0.1 1,-0.0 -2,-0.0 0.141 125.0 38.8 102.1 -16.1 26.0 44.8 51.8 118 118 A S S S- 0 0 83 1,-0.4 -17,-0.3 -17,-0.0 2,-0.3 0.527 121.1 -4.2-134.2 -26.2 22.9 45.9 53.7 119 119 A Q - 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0 0 20 -5,-2.0 -1,-0.2 -6,-0.1 -2,-0.1 -0.711 60.1-106.4 -97.8 145.4 50.9 40.3 59.1 214 214 A P - 0 0 10 0, 0.0 25,-0.2 0, 0.0 3,-0.1 -0.315 23.5-173.0 -66.8 148.6 53.4 41.9 56.6 215 215 A D S S+ 0 0 13 1,-0.1 2,-0.3 -7,-0.1 3,-0.0 0.049 72.4 49.4-127.2 18.7 54.6 45.5 57.3 216 216 A H S > S- 0 0 37 98,-0.1 3,-2.2 1,-0.1 98,-0.2 -0.966 81.6-122.2-158.0 143.1 56.4 45.8 53.9 217 217 A Y G > S+ 0 0 61 96,-2.9 3,-1.7 -2,-0.3 97,-0.1 0.804 110.2 64.7 -57.4 -31.6 55.4 45.2 50.3 218 218 A S G 3 S+ 0 0 86 1,-0.3 -1,-0.3 95,-0.1 96,-0.1 0.661 102.6 49.4 -65.7 -17.0 58.3 42.7 49.9 219 219 A K G < S+ 0 0 120 -3,-2.2 -1,-0.3 2,-0.1 -2,-0.2 0.125 83.3 139.6-108.6 18.1 56.6 40.5 52.5 220 220 A R < - 0 0 99 -3,-1.7 2,-0.4 1,-0.1 9,-0.1 -0.292 58.1-112.8 -66.7 146.7 53.1 40.6 50.9 221 221 A Y - 0 0 61 8,-0.2 -1,-0.1 1,-0.1 12,-0.1 -0.672 31.5-179.0 -81.0 132.1 51.0 37.4 50.7 222 222 A T + 0 0 121 -2,-0.4 -1,-0.1 -63,-0.0 -2,-0.0 0.417 46.8 94.2-115.1 -2.4 50.6 36.2 47.1 223 223 A G S S- 0 0 27 1,-0.1 -2,-0.0 2,-0.0 0, 0.0 0.070 81.2-104.4 -82.7-165.1 48.4 33.1 47.6 224 224 A T S >> S+ 0 0 130 4,-0.1 4,-0.7 3,-0.1 3,-0.6 0.602 76.6 109.9-103.2 -14.6 44.7 32.5 47.4 225 225 A Q H >> S+ 0 0 137 1,-0.2 4,-2.2 2,-0.2 3,-1.0 -0.229 81.2 19.5 -59.5 152.0 43.6 32.2 51.0 226 226 A D H 3> S- 0 0 47 1,-0.3 4,-2.8 2,-0.2 5,-0.3 0.879 137.4 -59.7 56.9 42.0 41.6 35.0 52.7 227 227 A N H <4 S- 0 0 87 -3,-0.6 -68,-2.7 1,-0.2 -1,-0.3 0.816 114.1 -36.6 56.6 34.6 40.5 36.3 49.2 228 228 A G H << S- 0 0 2 -3,-1.0 -1,-0.2 -4,-0.7 -2,-0.2 0.789 115.5 -57.4 84.0 29.6 44.2 36.9 48.3 229 229 A G H >X S+ 0 0 0 -4,-2.2 4,-2.7 -5,-0.1 3,-1.4 0.830 76.8 161.9 76.4 38.4 45.1 37.9 51.9 230 230 A V T 3< S+ 0 0 0 -4,-2.8 4,-0.3 1,-0.3 -64,-0.1 0.831 81.7 38.1 -62.2 -31.3 42.8 40.8 52.4 231 231 A H T 34 S+ 0 0 18 -5,-0.3 -1,-0.3 2,-0.1 -4,-0.1 0.383 121.9 47.7 -95.4 0.7 43.2 40.7 56.2 232 232 A I T X4 S+ 0 0 43 -3,-1.4 3,-2.2 -6,-0.2 4,-0.2 0.824 111.6 42.1-101.2 -64.4 46.9 39.9 55.8 233 233 A N T >X S+ 0 0 6 -4,-2.7 3,-1.2 1,-0.3 4,-0.7 0.612 95.9 81.5 -64.8 -12.1 48.2 42.4 53.3 234 234 A S H 3> S+ 0 0 0 -5,-0.5 4,-3.2 -4,-0.3 3,-0.3 0.792 77.3 73.6 -60.5 -25.8 46.2 45.1 55.0 235 235 A G H <> S+ 0 0 2 -3,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.839 90.0 56.8 -56.5 -32.1 49.1 45.2 57.4 236 236 A I H <> S+ 0 0 0 -3,-1.2 4,-1.7 -4,-0.2 -1,-0.2 0.915 113.5 37.9 -68.7 -40.3 51.1 47.0 54.8 237 237 A I H X S+ 0 0 0 -4,-0.7 4,-2.8 -3,-0.3 -2,-0.2 0.868 114.1 55.1 -79.5 -38.5 48.6 49.8 54.5 238 238 A N H X S+ 0 0 1 -4,-3.2 4,-2.8 2,-0.2 -2,-0.2 0.909 108.5 50.0 -56.1 -42.6 47.8 49.9 58.2 239 239 A K H X S+ 0 0 20 -4,-2.3 4,-2.7 -5,-0.2 -2,-0.2 0.937 109.8 50.0 -63.0 -46.3 51.5 50.4 58.8 240 240 A A H X S+ 0 0 0 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.932 112.5 47.1 -57.2 -48.0 51.7 53.2 56.3 241 241 A A H X S+ 0 0 0 -4,-2.8 4,-2.1 2,-0.2 5,-0.2 0.920 110.7 51.8 -58.9 -46.8 48.7 54.9 57.9 242 242 A Y H X S+ 0 0 55 -4,-2.8 4,-3.3 -37,-0.2 5,-0.4 0.923 111.9 47.7 -54.9 -46.1 50.2 54.5 61.4 243 243 A L H X S+ 0 0 2 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.902 107.3 54.4 -63.8 -43.9 53.4 56.1 60.1 244 244 A I H < S+ 0 0 0 -4,-2.6 14,-2.8 -5,-0.2 15,-0.4 0.920 119.6 34.8 -55.9 -43.6 51.7 59.0 58.5 245 245 A S H < S+ 0 0 3 -4,-2.1 14,-2.4 12,-0.3 -2,-0.2 0.967 134.1 22.0 -72.5 -55.0 49.9 59.8 61.8 246 246 A Q H < S- 0 0 81 -4,-3.3 11,-0.3 -5,-0.2 -3,-0.2 0.618 91.9-148.9 -98.2 -17.7 52.6 58.9 64.4 247 247 A G < + 0 0 9 -4,-2.4 2,-0.2 -5,-0.4 9,-0.2 -0.072 32.4 136.5 71.2-178.4 55.8 59.1 62.4 248 248 A G E -L 255 0E 35 7,-2.4 7,-2.6 -4,-0.1 2,-0.4 -0.746 53.3 -66.9 136.2-178.9 58.9 56.9 63.1 249 249 A T E +L 254 0E 94 -2,-0.2 2,-0.3 5,-0.2 5,-0.2 -0.893 43.3 173.2-109.8 142.0 61.5 54.9 61.4 250 250 A H E > S-L 253 0E 16 3,-1.9 3,-1.4 -2,-0.4 -2,-0.0 -0.927 71.3 -12.3-153.6 119.3 60.7 51.7 59.5 251 251 A Y T 3 S- 0 0 113 -2,-0.3 3,-0.1 1,-0.2 -2,-0.0 0.860 129.6 -54.7 49.2 40.6 63.2 49.6 57.4 252 252 A G T 3 S+ 0 0 71 1,-0.2 2,-0.5 0, 0.0 -1,-0.2 0.620 113.1 119.1 76.0 12.9 65.6 52.5 57.6 253 253 A V E < -L 250 0E 36 -3,-1.4 -3,-1.9 59,-0.1 2,-0.4 -0.958 54.9-143.1-113.5 126.8 63.1 55.1 56.3 254 254 A S E -L 249 0E 73 -2,-0.5 2,-0.4 -5,-0.2 -5,-0.2 -0.716 13.1-166.4 -94.1 136.5 62.1 58.0 58.5 255 255 A V E -L 248 0E 10 -7,-2.6 -7,-2.4 -2,-0.4 2,-0.7 -0.986 15.9-142.3-124.0 127.5 58.6 59.5 58.5 256 256 A V - 0 0 82 -2,-0.4 -9,-0.2 -9,-0.2 53,-0.1 -0.806 29.3-132.7 -84.9 113.5 57.6 62.8 60.1 257 257 A G - 0 0 32 -2,-0.7 -12,-0.3 -11,-0.3 -11,-0.2 -0.360 20.9-170.5 -70.1 146.7 54.1 62.2 61.7 258 258 A I - 0 0 26 -14,-2.8 4,-0.4 1,-0.2 -13,-0.2 0.361 45.8-104.9-118.3 1.0 51.3 64.7 61.0 259 259 A G > - 0 0 27 -14,-2.4 4,-1.9 -15,-0.4 -1,-0.2 0.046 30.8 -78.3 95.0 160.3 48.8 63.4 63.5 260 260 A R H > S+ 0 0 93 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.876 121.3 57.1 -61.6 -44.9 45.5 61.4 63.5 261 261 A D H > S+ 0 0 131 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.943 111.1 42.9 -59.5 -46.2 43.2 64.2 62.3 262 262 A K H > S+ 0 0 75 -4,-0.4 4,-2.6 2,-0.2 -1,-0.2 0.880 111.3 54.9 -67.7 -37.7 45.3 64.8 59.2 263 263 A L H X S+ 0 0 0 -4,-1.9 4,-2.7 1,-0.2 5,-0.3 0.967 110.1 48.7 -53.1 -52.6 45.6 61.1 58.5 264 264 A G H X S+ 0 0 3 -4,-3.0 4,-2.2 1,-0.2 5,-0.2 0.884 111.2 48.5 -56.0 -45.7 41.8 61.0 58.7 265 265 A K H X S+ 0 0 110 -4,-2.2 4,-2.2 -5,-0.2 -1,-0.2 0.921 113.6 46.5 -62.7 -44.0 41.3 63.9 56.3 266 266 A I H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.926 116.7 42.8 -66.7 -44.0 43.8 62.6 53.7 267 267 A F H X S+ 0 0 0 -4,-2.7 4,-2.7 -5,-0.2 -1,-0.2 0.837 112.5 53.0 -74.8 -31.8 42.4 59.0 53.8 268 268 A Y H X S+ 0 0 30 -4,-2.2 4,-2.4 -5,-0.3 -1,-0.2 0.927 112.4 45.3 -66.6 -43.8 38.8 60.1 53.8 269 269 A R H X>S+ 0 0 81 -4,-2.2 4,-1.7 -5,-0.2 5,-0.6 0.903 113.2 50.6 -64.8 -40.3 39.4 62.3 50.7 270 270 A A H X>S+ 0 0 0 -4,-2.2 5,-2.6 3,-0.2 4,-2.1 0.955 113.2 46.0 -58.8 -50.0 41.4 59.5 49.0 271 271 A L H <5S+ 0 0 1 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.899 121.9 35.0 -60.4 -44.7 38.5 57.1 49.7 272 272 A T H <5S+ 0 0 36 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.566 130.7 26.5 -92.0 -10.4 35.7 59.4 48.5 273 273 A Q H <5S+ 0 0 114 -4,-1.7 -3,-0.2 -3,-0.2 -2,-0.2 0.641 128.9 19.1-126.6 -27.5 37.5 61.2 45.7 274 274 A Y T < - 0 0 62 -122,-0.1 3,-1.6 -120,-0.0 -122,-0.1 -0.806 40.0 -90.7-130.9 169.1 38.2 53.1 42.5 277 277 A P T 3 S+ 0 0 61 0, 0.0 -121,-2.8 0, 0.0 -123,-0.1 0.797 126.6 38.2 -52.6 -32.0 36.9 49.5 42.7 278 278 A T T 3 S+ 0 0 98 -123,-0.2 -117,-0.1 -125,-0.1 -118,-0.1 0.272 80.8 143.5-109.3 11.4 40.2 48.1 41.3 279 279 A S < - 0 0 5 -3,-1.6 -115,-0.2 -126,-0.1 2,-0.2 -0.219 33.4-156.4 -49.9 132.0 42.7 50.5 42.9 280 280 A N > - 0 0 60 -120,-0.1 4,-2.4 -119,-0.1 5,-0.2 -0.464 35.9 -88.6-100.8-177.1 46.0 48.7 43.9 281 281 A F H > S+ 0 0 2 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.902 128.3 51.7 -59.9 -43.0 48.6 49.7 46.5 282 282 A S H > S+ 0 0 56 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.880 110.6 48.3 -60.6 -41.2 50.5 51.9 44.0 283 283 A Q H > S+ 0 0 94 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.840 107.4 55.7 -70.9 -32.7 47.3 53.7 43.1 284 284 A L H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.936 105.5 52.7 -61.2 -47.1 46.4 54.2 46.8 285 285 A R H X S+ 0 0 34 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.934 112.3 44.8 -51.0 -49.7 49.8 55.9 47.3 286 286 A A H X S+ 0 0 59 -4,-1.7 4,-2.7 1,-0.2 -1,-0.2 0.884 112.0 52.0 -64.0 -40.3 48.9 58.2 44.4 287 287 A A H X S+ 0 0 7 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.893 112.6 45.5 -62.7 -40.8 45.4 58.8 45.7 288 288 A A H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.885 112.1 51.2 -71.9 -39.1 46.8 59.7 49.1 289 289 A V H X S+ 0 0 28 -4,-2.5 4,-1.8 -5,-0.2 -2,-0.2 0.932 113.0 45.6 -60.7 -46.4 49.5 62.0 47.6 290 290 A Q H X S+ 0 0 85 -4,-2.7 4,-2.7 2,-0.2 -2,-0.2 0.903 112.2 51.4 -66.7 -40.6 46.9 63.8 45.6 291 291 A S H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.928 111.1 46.6 -60.4 -45.9 44.5 64.1 48.5 292 292 A A H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 5,-0.4 0.820 111.4 54.1 -67.2 -29.5 47.2 65.6 50.7 293 293 A T H X S+ 0 0 36 -4,-1.8 4,-1.9 3,-0.2 -2,-0.2 0.930 108.3 47.9 -68.7 -48.1 48.1 67.9 47.9 294 294 A D H < S+ 0 0 64 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.873 120.0 39.2 -52.9 -42.7 44.5 69.2 47.6 295 295 A L H < S+ 0 0 71 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.836 135.6 10.4 -85.5 -35.0 44.3 69.7 51.3 296 296 A Y H < S- 0 0 59 -4,-2.4 -3,-0.2 -5,-0.2 -2,-0.2 0.464 107.7 -97.6-129.2 -6.6 47.7 71.1 52.3 297 297 A G >< - 0 0 28 -4,-1.9 3,-1.5 -5,-0.4 6,-0.4 0.099 33.9 -88.3 95.7 149.9 49.6 71.9 49.0 298 298 A S T 3 S+ 0 0 86 1,-0.3 -1,-0.1 -5,-0.1 -5,-0.1 0.790 125.5 48.0 -65.4 -30.8 52.2 70.0 47.0 299 299 A T T 3 S+ 0 0 144 -6,-0.1 -1,-0.3 -3,-0.1 -2,-0.1 0.343 91.5 122.9 -89.3 8.3 55.2 71.4 48.8 300 300 A S S <> S- 0 0 14 -3,-1.5 4,-1.8 1,-0.1 5,-0.1 -0.208 73.1-123.2 -72.7 158.8 53.6 70.7 52.2 301 301 A Q H > S+ 0 0 96 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.829 112.4 61.1 -59.8 -36.4 55.0 68.5 55.0 302 302 A E H > S+ 0 0 23 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.923 105.7 44.5 -62.4 -46.1 51.8 66.5 54.8 303 303 A V H > S+ 0 0 3 -6,-0.4 4,-2.1 -11,-0.2 -1,-0.2 0.912 113.2 51.7 -61.8 -44.5 52.5 65.4 51.2 304 304 A A H X S+ 0 0 45 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.892 109.6 50.0 -58.8 -41.4 56.1 64.7 52.1 305 305 A S H X S+ 0 0 1 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.856 107.0 53.3 -69.7 -38.6 55.1 62.5 55.0 306 306 A V H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 5,-0.2 0.943 110.8 47.9 -58.5 -47.5 52.6 60.5 52.9 307 307 A K H X S+ 0 0 90 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.918 112.7 47.8 -60.2 -44.9 55.4 59.8 50.4 308 308 A Q H X S+ 0 0 74 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.887 110.2 53.1 -65.2 -37.6 57.9 58.8 53.2 309 309 A A H X S+ 0 0 0 -4,-2.5 4,-1.2 2,-0.2 -2,-0.2 0.929 112.1 43.7 -63.4 -46.3 55.3 56.5 54.8 310 310 A F H <>S+ 0 0 0 -4,-2.4 5,-2.8 1,-0.2 3,-0.3 0.893 112.1 54.4 -68.0 -36.1 54.6 54.7 51.5 311 311 A D H ><5S+ 0 0 40 -4,-2.5 3,-1.7 -5,-0.2 -2,-0.2 0.920 103.9 56.3 -56.6 -44.8 58.4 54.5 50.9 312 312 A A H 3<5S+ 0 0 0 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.805 109.9 43.7 -61.1 -33.8 58.9 52.9 54.3 313 313 A V T 3<5S- 0 0 0 -4,-1.2 -96,-2.9 -3,-0.3 -1,-0.3 0.266 119.0-109.6 -96.7 11.9 56.5 50.1 53.5 314 314 A G T < 5S+ 0 0 20 -3,-1.7 2,-0.6 -98,-0.2 -3,-0.2 0.742 71.3 138.9 72.0 25.9 58.0 49.6 50.0 315 315 A V < 0 0 4 -5,-2.8 -1,-0.2 1,-0.1 -2,-0.1 -0.919 360.0 360.0-107.5 114.9 55.0 51.0 48.0 316 316 A K 0 0 156 -2,-0.6 -1,-0.1 -5,-0.1 -5,-0.1 0.564 360.0 360.0-104.6 360.0 55.9 53.2 45.1 317 ! 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 0.0 318 1001 A V 0 0 6 0, 0.0 -204,-0.1 0, 0.0 -206,-0.1 0.000 360.0 360.0 360.0 -26.0 36.4 41.7 61.0 319 1002 A K 0 0 103 -206,-0.3 -206,-0.1 -208,-0.1 -93,-0.0 -0.897 360.0 360.0-142.3 360.0 38.7 38.8 60.2