==== 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/HYDROLASE INHIBITOR 16-JAN-09 3FVP . COMPND 2 MOLECULE: THERMOLYSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS THERMOPROTEOLYTICUS; . AUTHOR L.ENGLERT,A.BIELA,A.HEINE,G.KLEBE . 316 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12570.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 225 71.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 4.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 34 10.8 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 . 28 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 106 33.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.5 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 1 1 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 91 0, 0.0 2,-0.4 0, 0.0 28,-0.0 0.000 360.0 360.0 360.0 155.2 -37.9 28.5 0.3 2 2 A T + 0 0 128 21,-0.0 2,-0.3 23,-0.0 21,-0.0 -0.740 360.0 105.7 -79.3 130.5 -39.9 25.3 -0.3 3 3 A G - 0 0 42 -2,-0.4 2,-0.4 23,-0.0 22,-0.2 -0.920 67.6 -63.0-175.8-163.3 -39.6 24.2 -3.9 4 4 A T E -A 24 0A 88 20,-2.0 20,-3.0 -2,-0.3 2,-0.2 -0.882 48.1-111.0-114.2 144.0 -38.1 21.6 -6.2 5 5 A S E +A 23 0A 69 -2,-0.4 2,-0.2 18,-0.2 18,-0.2 -0.513 45.0 166.8 -73.9 132.4 -34.4 21.1 -6.8 6 6 A T E -A 22 0A 33 16,-2.6 16,-2.5 -2,-0.2 2,-0.5 -0.774 33.4-118.7-136.9 175.3 -33.2 22.1 -10.2 7 7 A V E -A 21 0A 91 14,-0.2 14,-0.2 -2,-0.2 2,-0.1 -0.962 27.2-171.9-130.3 113.7 -29.9 22.8 -12.0 8 8 A G E -A 20 0A 2 12,-2.8 12,-2.3 -2,-0.5 2,-0.3 -0.422 11.2-142.5 -91.1 171.3 -29.2 26.2 -13.5 9 9 A V E +Ab 19 61A 33 51,-1.7 53,-2.9 10,-0.3 2,-0.3 -0.992 32.2 134.4-136.8 143.9 -26.3 27.2 -15.7 10 10 A G E -Ab 18 62A 0 8,-2.3 8,-2.7 -2,-0.3 2,-0.4 -0.928 46.2 -91.2-165.4-169.2 -24.3 30.4 -15.8 11 11 A R E -A 17 0A 108 51,-2.1 60,-0.3 -2,-0.3 6,-0.2 -0.970 31.6-138.7-122.4 140.8 -20.8 32.1 -15.9 12 12 A G > - 0 0 4 4,-2.5 3,-2.0 -2,-0.4 56,-0.2 -0.163 42.1 -79.8 -86.5-175.0 -18.6 33.1 -13.0 13 13 A V T 3 S+ 0 0 31 55,-0.5 55,-0.1 1,-0.3 122,-0.1 0.819 129.9 49.1 -54.8 -36.9 -16.5 36.2 -12.5 14 14 A L T 3 S- 0 0 90 54,-0.1 -1,-0.3 121,-0.1 178,-0.0 0.405 122.2-102.5 -90.3 6.9 -13.7 35.0 -14.7 15 15 A G S < S+ 0 0 46 -3,-2.0 2,-0.3 1,-0.3 -2,-0.1 0.578 73.1 141.1 90.5 8.1 -16.0 33.9 -17.5 16 16 A D - 0 0 60 1,-0.0 -4,-2.5 -5,-0.0 2,-0.3 -0.659 48.2-128.3 -87.8 138.8 -16.1 30.2 -16.9 17 17 A Q E +A 11 0A 127 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.3 -0.626 36.4 163.9 -83.9 139.0 -19.4 28.4 -17.4 18 18 A K E -A 10 0A 17 -8,-2.7 -8,-2.3 -2,-0.3 2,-0.3 -0.994 36.3-113.9-150.1 160.1 -20.6 26.1 -14.6 19 19 A N E -A 9 0A 100 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.3 -0.683 31.7-163.7 -85.7 142.5 -23.8 24.4 -13.4 20 20 A I E -A 8 0A 3 -12,-2.3 -12,-2.8 -2,-0.3 2,-0.5 -0.984 22.6-116.7-131.8 147.3 -25.3 25.5 -10.1 21 21 A N E +A 7 0A 41 -2,-0.4 -14,-0.2 -14,-0.2 2,-0.2 -0.700 44.8 170.3 -79.6 121.5 -27.9 23.9 -7.8 22 22 A T E -A 6 0A 1 -16,-2.5 -16,-2.6 -2,-0.5 2,-0.4 -0.667 29.2-128.1-125.5 177.4 -31.1 26.0 -7.7 23 23 A T E -AC 5 29A 0 6,-2.0 6,-3.1 -18,-0.2 2,-0.6 -0.996 17.8-145.0-129.3 128.6 -34.6 25.7 -6.3 24 24 A Y E +AC 4 28A 96 -20,-3.0 -20,-2.0 -2,-0.4 4,-0.2 -0.829 39.6 136.7-100.5 127.4 -37.7 26.4 -8.3 25 25 A S S S- 0 0 41 2,-2.8 2,-2.5 -2,-0.6 -2,-0.0 -0.607 95.8 -47.0-158.8 93.7 -40.8 28.0 -6.9 26 26 A T S S+ 0 0 109 -2,-0.1 2,-0.2 32,-0.0 -2,-0.1 -0.414 140.7 37.0 68.8 -58.0 -42.2 30.7 -9.3 27 27 A Y S S- 0 0 113 -2,-2.5 -2,-2.8 -4,-0.1 2,-0.6 -0.667 93.6-111.4-104.7 166.9 -38.6 31.9 -9.6 28 28 A Y E -CD 24 57A 58 29,-2.9 29,-2.2 -2,-0.2 2,-0.3 -0.922 40.5-161.6 -96.8 119.5 -35.3 29.9 -9.7 29 29 A Y E -CD 23 56A 43 -6,-3.1 -6,-2.0 -2,-0.6 2,-2.0 -0.769 29.4-112.5-105.3 149.9 -33.5 30.7 -6.5 30 30 A L S S+ 0 0 0 25,-2.0 11,-2.4 11,-0.4 2,-0.4 -0.581 71.9 129.8 -79.2 81.5 -29.8 30.2 -5.6 31 31 A Q E -E 40 0B 9 -2,-2.0 2,-0.7 9,-0.2 9,-0.2 -0.948 44.4-158.6-141.7 110.4 -30.7 27.6 -3.0 32 32 A D E > +E 39 0B 2 7,-2.9 7,-1.4 -2,-0.4 3,-0.6 -0.854 12.3 178.5 -97.6 106.5 -28.7 24.3 -3.2 33 33 A N T 3 + 0 0 57 -2,-0.7 -1,-0.1 -11,-0.3 -28,-0.1 0.416 67.7 79.3 -88.8 2.6 -30.6 21.5 -1.5 34 34 A T T 3 S+ 0 0 83 1,-0.1 2,-0.5 5,-0.1 -1,-0.2 0.530 85.4 64.8 -88.0 -7.7 -28.1 18.8 -2.3 35 35 A R S X S- 0 0 47 -3,-0.6 3,-2.6 4,-0.1 -1,-0.1 -0.950 111.4 -66.4-125.1 111.8 -25.7 19.9 0.5 36 36 A G T 3 S- 0 0 30 -2,-0.5 3,-0.1 1,-0.3 62,-0.1 -0.167 111.6 -18.5 48.9-132.1 -26.6 19.6 4.1 37 37 A N T 3 S- 0 0 110 60,-1.3 -1,-0.3 1,-0.3 62,-0.2 0.123 119.8 -74.9 -94.1 20.9 -29.4 21.9 5.1 38 38 A G < - 0 0 1 -3,-2.6 62,-2.4 60,-0.1 2,-0.5 0.038 29.4-114.2 114.7 147.9 -28.8 24.1 2.1 39 39 A I E -Ef 32 100B 0 -7,-1.4 -7,-2.9 60,-0.2 2,-0.4 -0.995 35.4-169.9-115.1 129.3 -26.5 26.6 0.5 40 40 A F E -Ef 31 101B 20 60,-3.2 62,-2.1 -2,-0.5 2,-0.4 -0.980 8.2-164.0-126.3 125.8 -28.2 30.0 0.0 41 41 A T E - f 0 102B 0 -11,-2.4 14,-2.7 -2,-0.4 -11,-0.4 -0.951 12.2-165.1-119.2 133.1 -26.9 33.0 -1.9 42 42 A Y E -Gf 54 103B 25 60,-2.9 62,-2.4 -2,-0.4 2,-0.6 -0.819 20.8-125.8-116.3 155.3 -28.3 36.5 -1.5 43 43 A D E -Gf 53 104B 20 10,-2.9 10,-2.1 -2,-0.3 62,-0.2 -0.893 15.2-174.7-100.3 115.9 -28.3 39.8 -3.4 44 44 A A > - 0 0 4 60,-2.7 3,-2.6 -2,-0.6 5,-0.3 0.506 31.7-141.2 -87.1 -6.2 -27.2 42.7 -1.1 45 45 A K T 3 - 0 0 109 59,-0.4 61,-0.1 1,-0.3 60,-0.1 0.795 62.2 -58.4 58.1 33.8 -27.9 45.1 -4.1 46 46 A Y T 3 S+ 0 0 108 59,-2.4 -1,-0.3 1,-0.3 60,-0.2 0.477 117.4 107.2 73.9 3.9 -24.9 47.4 -3.5 47 47 A R S < S- 0 0 173 -3,-2.6 60,-2.4 58,-0.2 -1,-0.3 -0.373 72.9-126.4-102.9-175.8 -26.2 48.1 0.1 48 48 A T + 0 0 78 58,-0.2 2,-0.4 -2,-0.1 -3,-0.1 0.319 69.4 111.8-119.3 9.6 -25.0 47.0 3.5 49 49 A T S S- 0 0 97 -5,-0.3 -2,-0.2 2,-0.1 58,-0.1 -0.698 70.5-101.4 -82.9 134.6 -28.1 45.5 5.0 50 50 A L S S- 0 0 53 -2,-0.4 -2,-0.1 1,-0.2 -6,-0.0 -0.899 81.9 -2.4-122.9 146.6 -27.7 41.8 5.3 51 51 A P S S- 0 0 46 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.991 80.2-168.7 -83.5 -12.5 -28.4 39.3 4.1 52 52 A G - 0 0 35 -8,-0.1 2,-0.4 51,-0.1 -8,-0.2 -0.759 48.8 -24.5 94.5-147.4 -30.5 41.0 1.5 53 53 A S E -G 43 0B 46 -10,-2.1 -10,-2.9 -2,-0.3 -8,-0.1 -0.819 66.7-104.1-111.6 143.5 -32.8 39.0 -0.7 54 54 A L E -G 42 0B 34 -2,-0.4 2,-0.3 -12,-0.2 -12,-0.3 -0.359 56.8 -96.2 -56.6 131.7 -32.5 35.3 -1.6 55 55 A W - 0 0 10 -14,-2.7 -25,-2.0 -25,-0.3 2,-0.4 -0.433 48.6-169.2 -67.1 123.0 -31.2 35.4 -5.2 56 56 A A E +D 29 0A 47 -2,-0.3 2,-0.4 -27,-0.2 -27,-0.2 -0.908 9.6 179.5-117.7 134.6 -34.1 35.1 -7.7 57 57 A D E -D 28 0A 23 -29,-2.2 -29,-2.9 -2,-0.4 3,-0.1 -1.000 24.4-143.3-137.2 135.4 -33.9 34.5 -11.4 58 58 A A S S+ 0 0 76 -2,-0.4 -1,-0.1 -31,-0.2 -29,-0.1 0.798 94.9 22.0 -68.4 -32.5 -36.7 34.1 -13.9 59 59 A D S S- 0 0 87 2,-0.3 -1,-0.2 -31,-0.1 3,-0.1 0.368 96.1-113.4-128.4 6.0 -35.2 31.5 -16.3 60 60 A N S S+ 0 0 21 1,-0.2 -51,-1.7 -32,-0.2 2,-0.4 0.665 80.8 117.6 72.1 17.0 -32.4 29.5 -14.4 61 61 A Q E -b 9 0A 104 -53,-0.2 -2,-0.3 -51,-0.0 2,-0.3 -0.977 43.5-171.9-117.8 127.1 -29.7 31.0 -16.7 62 62 A F E +b 10 0A 0 -53,-2.9 -51,-2.1 -2,-0.4 9,-0.1 -0.535 41.6 120.8-124.3 61.7 -27.1 33.1 -14.9 63 63 A F + 0 0 57 -2,-0.3 -1,-0.1 -53,-0.3 2,-0.1 0.348 39.1 109.9-108.0 2.5 -25.0 34.7 -17.7 64 64 A A S >> S- 0 0 49 -3,-0.2 4,-1.1 1,-0.1 3,-0.8 -0.456 77.4-121.0 -73.0 154.5 -25.5 38.4 -17.0 65 65 A S G >4 S+ 0 0 117 1,-0.3 3,-0.6 2,-0.2 -1,-0.1 0.904 115.5 57.9 -63.4 -29.2 -22.5 40.2 -15.6 66 66 A Y G 34 S+ 0 0 67 1,-0.2 4,-0.4 2,-0.1 -1,-0.3 0.801 104.6 53.5 -65.9 -26.3 -24.5 41.1 -12.5 67 67 A D G X> S+ 0 0 17 -3,-0.8 4,-2.3 1,-0.2 3,-0.8 0.755 85.6 84.8 -76.6 -26.1 -25.0 37.4 -12.0 68 68 A A H S+ 0 0 4 0, 0.0 4,-2.2 0, 0.0 -1,-0.3 0.862 113.7 50.1 -63.8 -30.2 -20.4 37.0 -8.4 70 70 A A H <> S+ 0 0 0 -3,-0.8 4,-2.4 -4,-0.4 5,-0.3 0.914 107.2 53.7 -70.3 -42.1 -23.5 35.1 -7.2 71 71 A V H X S+ 0 0 0 -4,-2.3 4,-2.8 -60,-0.3 5,-0.2 0.935 114.4 41.7 -53.7 -50.6 -22.7 32.2 -9.4 72 72 A D H X S+ 0 0 0 -4,-2.1 4,-2.9 2,-0.2 5,-0.4 0.908 112.1 51.9 -71.9 -39.5 -19.2 31.9 -8.0 73 73 A A H X S+ 0 0 0 -4,-2.2 4,-1.7 -5,-0.2 -1,-0.2 0.943 116.8 42.8 -55.6 -43.9 -20.2 32.5 -4.3 74 74 A H H X S+ 0 0 4 -4,-2.4 4,-1.6 2,-0.2 -2,-0.2 0.954 118.0 42.8 -68.3 -50.6 -22.8 29.8 -4.6 75 75 A Y H X S+ 0 0 94 -4,-2.8 4,-2.1 -5,-0.3 -2,-0.2 0.921 115.5 47.5 -67.7 -46.9 -20.7 27.3 -6.6 76 76 A Y H X S+ 0 0 27 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.832 106.6 57.6 -71.5 -27.3 -17.5 27.7 -4.5 77 77 A A H X S+ 0 0 0 -4,-1.7 4,-2.5 -5,-0.4 -1,-0.2 0.906 107.3 50.5 -63.1 -37.3 -19.4 27.4 -1.3 78 78 A G H X S+ 0 0 0 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.932 109.5 49.4 -62.4 -42.6 -20.5 24.0 -2.7 79 79 A V H X S+ 0 0 17 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.924 111.8 48.4 -63.4 -40.6 -16.9 23.0 -3.4 80 80 A T H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.897 109.7 52.3 -68.0 -41.1 -15.8 24.1 0.1 81 81 A Y H X S+ 0 0 12 -4,-2.5 4,-2.7 1,-0.2 11,-0.3 0.934 110.5 48.9 -54.0 -51.1 -18.7 22.1 1.6 82 82 A D H X S+ 0 0 42 -4,-2.4 4,-3.2 2,-0.2 5,-0.4 0.895 108.2 54.1 -61.4 -42.0 -17.6 19.0 -0.4 83 83 A Y H X>S+ 0 0 9 -4,-2.4 4,-3.0 1,-0.2 5,-0.8 0.970 111.9 43.4 -55.2 -53.3 -14.0 19.5 0.7 84 84 A Y H X5S+ 0 0 4 -4,-2.5 6,-2.5 1,-0.2 4,-1.4 0.925 119.7 42.4 -63.5 -40.4 -14.9 19.5 4.4 85 85 A K H X5S+ 0 0 89 -4,-2.7 4,-1.0 4,-0.3 -1,-0.2 0.946 121.6 37.2 -70.5 -48.6 -17.3 16.6 4.1 86 86 A N H <5S+ 0 0 101 -4,-3.2 -2,-0.2 -5,-0.2 -3,-0.2 0.858 128.4 32.3 -73.8 -36.2 -15.3 14.3 1.8 87 87 A V H <5S+ 0 0 52 -4,-3.0 -3,-0.2 -5,-0.4 -2,-0.2 0.841 135.6 19.2 -91.8 -37.3 -11.8 15.1 3.3 88 88 A H H < - 0 0 53 -2,-0.5 6,-2.7 4,-0.3 4,-0.5 -0.803 63.0 -45.0 -97.4 102.0 -20.8 18.4 7.7 92 92 A S T >4 S- 0 0 6 -2,-0.9 3,-0.9 -11,-0.3 7,-0.1 -0.001 92.7 -54.7 59.7-172.7 -20.9 22.2 7.1 93 93 A Y T 34 S+ 0 0 18 5,-0.3 58,-0.2 1,-0.3 -1,-0.2 0.828 138.7 44.1 -74.3 -25.1 -19.2 24.8 9.4 94 94 A D T 34 S- 0 0 49 -3,-0.2 -1,-0.3 4,-0.1 -2,-0.2 0.445 108.4-117.6 -96.7 1.7 -20.9 23.6 12.6 95 95 A G S << S+ 0 0 35 -3,-0.9 -4,-0.3 -4,-0.5 -3,-0.2 0.448 103.0 80.7 76.7 -1.1 -20.4 19.9 11.9 96 96 A N S S- 0 0 123 -5,-0.2 -4,-0.2 -6,-0.1 -3,-0.1 -0.071 113.3 -96.7-129.2 30.1 -24.2 19.5 11.9 97 97 A N - 0 0 35 -6,-2.7 -60,-1.3 1,-0.2 -5,-0.2 0.768 53.2-172.5 62.3 34.2 -25.0 20.7 8.3 98 98 A A - 0 0 19 -7,-0.5 -5,-0.3 -62,-0.1 -1,-0.2 -0.275 36.3 -95.0 -52.6 141.9 -25.9 24.3 9.2 99 99 A A - 0 0 17 -62,-0.2 2,-0.6 -63,-0.1 -60,-0.2 -0.386 37.4-135.1 -56.0 135.5 -27.3 26.2 6.2 100 100 A I E -f 39 0B 1 -62,-2.4 -60,-3.2 -3,-0.1 2,-0.4 -0.891 23.9-170.0 -98.7 118.0 -24.5 28.2 4.5 101 101 A R E +f 40 0B 90 -2,-0.6 19,-2.7 17,-0.3 2,-0.3 -0.927 7.9 176.9-114.6 139.3 -25.5 31.7 3.6 102 102 A S E -fh 41 120B 0 -62,-2.1 -60,-2.9 -2,-0.4 2,-0.4 -0.994 13.4-156.8-133.1 142.4 -23.6 34.2 1.4 103 103 A S E -fh 42 121B 0 17,-2.1 19,-2.6 -2,-0.3 2,-0.2 -0.968 12.6-170.8-115.0 136.7 -24.4 37.8 0.2 104 104 A V E +f 43 0B 1 -62,-2.4 -60,-2.7 -2,-0.4 -59,-0.4 -0.683 64.4 43.6-117.4 173.6 -22.8 39.3 -2.9 105 105 A H E S+ 0 0 7 17,-0.3 -59,-2.4 -2,-0.2 2,-0.5 0.884 76.0 176.6 56.1 40.8 -22.8 42.8 -4.3 106 106 A Y E - 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0 0 74 -2,-0.4 -9,-0.3 -9,-0.2 53,-0.1 -0.758 28.5-129.9 -83.0 117.4 11.2 17.5 4.7 257 257 A G - 0 0 32 -2,-0.6 -12,-0.2 -11,-0.3 -11,-0.2 -0.401 22.8-173.0 -70.4 148.7 7.7 17.9 3.1 258 258 A I - 0 0 24 -14,-2.7 4,-0.4 1,-0.2 -13,-0.2 0.329 46.1-107.8-121.4 2.0 5.0 15.5 3.8 259 259 A G > - 0 0 24 -14,-2.0 4,-2.2 -15,-0.5 -1,-0.2 -0.023 29.9 -73.3 94.7 161.6 2.4 16.7 1.4 260 260 A R H > S+ 0 0 87 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.830 120.5 54.9 -64.8 -40.0 -0.9 18.6 1.3 261 261 A D H > S+ 0 0 117 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.942 111.9 43.0 -69.1 -42.4 -3.2 15.8 2.6 262 262 A K H > S+ 0 0 75 -4,-0.4 4,-2.7 2,-0.2 5,-0.2 0.909 112.2 54.5 -71.8 -36.6 -1.1 15.2 5.8 263 263 A L H X S+ 0 0 0 -4,-2.2 4,-2.8 1,-0.2 5,-0.3 0.945 111.2 46.5 -53.1 -49.9 -0.8 19.0 6.3 264 264 A G H X S+ 0 0 3 -4,-2.7 4,-2.5 1,-0.2 5,-0.2 0.903 112.9 48.7 -61.7 -40.9 -4.6 19.2 6.1 265 265 A K H X S+ 0 0 91 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.920 112.9 47.5 -65.9 -42.8 -5.1 16.3 8.5 266 266 A I H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.950 117.3 40.7 -65.5 -47.9 -2.6 17.7 11.1 267 267 A F H X S+ 0 0 0 -4,-2.8 4,-2.9 -5,-0.2 -2,-0.2 0.864 112.7 54.7 -74.0 -28.9 -4.0 21.2 11.1 268 268 A Y H X S+ 0 0 33 -4,-2.5 4,-1.8 -5,-0.3 -1,-0.2 0.927 112.4 45.0 -65.8 -45.3 -7.7 20.0 10.9 269 269 A R H X>S+ 0 0 85 -4,-2.4 4,-2.3 -5,-0.2 5,-0.6 0.911 113.7 49.5 -63.1 -42.2 -7.0 17.9 14.1 270 270 A A H X>S+ 0 0 0 -4,-2.4 5,-2.8 1,-0.2 4,-1.9 0.948 112.0 48.3 -59.9 -47.9 -5.2 20.8 15.7 271 271 A L H <5S+ 0 0 1 -4,-2.9 -118,-0.4 1,-0.2 -1,-0.2 0.844 122.0 33.3 -59.2 -35.8 -8.0 23.2 15.0 272 272 A T H <5S+ 0 0 38 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.655 129.5 28.3-102.0 -17.6 -10.7 20.8 16.2 273 273 A Q H <5S+ 0 0 116 -4,-2.3 -3,-0.2 -5,-0.2 -2,-0.2 0.615 129.4 17.3-117.0 -22.9 -9.1 19.0 19.1 274 274 A Y T < - 0 0 63 -122,-0.1 3,-1.5 -2,-0.0 -120,-0.1 -0.737 40.0 -90.0-129.1 171.2 -8.5 27.2 22.2 277 277 A P T 3 S+ 0 0 62 0, 0.0 -121,-2.7 0, 0.0 -123,-0.1 0.829 125.3 38.9 -55.9 -28.3 -9.7 30.8 21.8 278 278 A T T 3 S+ 0 0 97 -123,-0.2 -117,-0.1 -125,-0.1 -118,-0.1 0.210 79.7 143.6-110.7 15.5 -6.4 32.2 23.3 279 279 A S < - 0 0 5 -3,-1.5 -115,-0.2 -126,-0.1 2,-0.1 -0.319 33.2-156.9 -54.3 135.2 -3.8 29.9 21.7 280 280 A N > - 0 0 62 -120,-0.1 4,-2.0 -119,-0.1 5,-0.2 -0.392 36.9 -87.6-100.6-176.5 -0.6 31.7 20.8 281 281 A F H > S+ 0 0 1 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.902 127.1 51.5 -62.0 -40.7 2.0 30.5 18.3 282 282 A S H > S+ 0 0 54 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.898 110.2 50.1 -61.7 -38.9 4.0 28.3 20.7 283 283 A Q H > S+ 0 0 95 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.853 107.0 55.1 -69.0 -33.6 0.7 26.6 21.7 284 284 A L H X S+ 0 0 0 -4,-2.0 4,-2.9 2,-0.2 5,-0.2 0.915 105.6 52.5 -63.1 -43.2 -0.1 26.1 18.0 285 285 A R H X S+ 0 0 28 -4,-2.3 4,-3.0 1,-0.2 5,-0.2 0.959 111.1 46.6 -54.1 -50.0 3.3 24.3 17.6 286 286 A A H X S+ 0 0 61 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.902 112.7 49.9 -56.8 -44.2 2.3 22.0 20.6 287 287 A A H X S+ 0 0 8 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.887 113.3 45.3 -64.0 -43.2 -1.1 21.4 19.1 288 288 A A H X S+ 0 0 0 -4,-2.9 4,-2.5 2,-0.2 -2,-0.2 0.897 112.7 50.9 -66.0 -42.7 0.4 20.5 15.7 289 289 A V H X S+ 0 0 25 -4,-3.0 4,-2.0 -5,-0.2 -2,-0.2 0.931 114.3 44.1 -64.3 -42.7 3.1 18.3 17.2 290 290 A Q H X S+ 0 0 85 -4,-2.6 4,-3.0 -5,-0.2 -2,-0.2 0.911 111.7 52.7 -68.5 -36.4 0.4 16.4 19.2 291 291 A S H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.941 112.3 45.5 -62.4 -45.1 -2.0 16.2 16.3 292 292 A A H X>S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 5,-0.6 0.827 111.6 52.7 -67.7 -31.6 0.8 14.6 14.2 293 293 A T H X5S+ 0 0 32 -4,-2.0 4,-2.1 3,-0.2 -2,-0.2 0.949 109.4 49.3 -68.4 -44.4 1.8 12.3 17.1 294 294 A D H <5S+ 0 0 61 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.893 119.5 37.7 -56.1 -44.5 -1.9 11.1 17.3 295 295 A L H <5S+ 0 0 67 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.852 135.9 12.2 -80.5 -37.1 -2.1 10.5 13.5 296 296 A Y H <5S- 0 0 62 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.2 0.509 107.6 -94.0-129.7 -10.6 1.4 9.1 12.8 297 297 A G ><< - 0 0 29 -4,-2.1 3,-2.2 -5,-0.6 6,-0.4 0.129 36.0 -88.5 104.1 141.6 3.2 8.3 16.0 298 298 A S T 3 S+ 0 0 84 1,-0.3 -1,-0.1 -5,-0.1 -5,-0.1 0.765 125.5 45.7 -60.1 -25.8 5.7 10.2 18.1 299 299 A T T 3 S+ 0 0 137 -6,-0.1 -1,-0.3 -3,-0.1 -2,-0.1 0.343 89.6 124.4 -97.7 12.7 8.7 9.0 16.1 300 300 A S S <> S- 0 0 15 -3,-2.2 4,-2.1 1,-0.1 5,-0.1 -0.184 72.1-120.9 -72.5 158.7 7.2 9.6 12.7 301 301 A Q H > S+ 0 0 91 2,-0.2 4,-3.3 1,-0.2 5,-0.2 0.892 113.7 61.0 -53.9 -41.4 8.6 11.7 9.9 302 302 A E H > S+ 0 0 23 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.931 105.2 45.2 -61.2 -44.3 5.4 13.8 10.1 303 303 A V H > S+ 0 0 4 -6,-0.4 4,-2.2 -11,-0.2 -1,-0.2 0.919 113.0 52.0 -61.0 -44.3 6.1 14.8 13.7 304 304 A A H X S+ 0 0 36 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.898 110.2 48.9 -57.3 -45.7 9.8 15.5 12.8 305 305 A S H X S+ 0 0 0 -4,-3.3 4,-2.4 2,-0.2 -1,-0.2 0.860 107.6 52.4 -66.8 -38.3 8.7 17.7 9.9 306 306 A V H X S+ 0 0 0 -4,-2.1 4,-2.3 -5,-0.2 5,-0.2 0.945 113.1 46.1 -61.4 -42.3 6.2 19.8 11.9 307 307 A K H X S+ 0 0 89 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.950 111.4 52.2 -63.7 -43.6 9.0 20.4 14.5 308 308 A Q H X S+ 0 0 50 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.901 110.6 48.5 -53.3 -46.7 11.4 21.3 11.7 309 309 A A H X S+ 0 0 0 -4,-2.4 4,-1.4 2,-0.2 -1,-0.2 0.911 111.4 46.4 -67.8 -46.2 8.9 23.8 10.2 310 310 A F H <>S+ 0 0 0 -4,-2.3 5,-2.7 2,-0.2 4,-0.2 0.894 112.2 53.0 -67.6 -36.4 8.1 25.6 13.4 311 311 A D H ><5S+ 0 0 58 -4,-2.6 3,-1.6 -5,-0.2 -2,-0.2 0.927 105.4 55.9 -53.3 -43.7 11.9 25.8 14.1 312 312 A A H 3<5S+ 0 0 1 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.857 109.8 43.5 -63.8 -32.0 12.4 27.3 10.7 313 313 A V T 3<5S- 0 0 0 -4,-1.4 -96,-3.1 -3,-0.2 -1,-0.3 0.326 118.4-109.0 -97.0 11.3 10.0 30.2 11.4 314 314 A G T < 5S+ 0 0 26 -3,-1.6 2,-0.6 -4,-0.2 -3,-0.2 0.737 72.4 137.0 77.6 22.2 11.4 30.7 14.9 315 315 A V < 0 0 3 -5,-2.7 -1,-0.2 -6,-0.1 -2,-0.2 -0.928 360.0 360.0-108.2 115.0 8.4 29.4 16.9 316 316 A K 0 0 177 -2,-0.6 -31,-0.2 -3,-0.1 -30,-0.1 -0.722 360.0 360.0-109.4 360.0 9.4 27.2 19.9