==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 30-OCT-08 3F2P . COMPND 2 MOLECULE: THERMOLYSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS THERMOPROTEOLYTICUS; . AUTHOR L.ENGLERT,A.HEINE,G.KLEBE . 316 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12582.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 224 70.9 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 . 27 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 105 33.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 2.8 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 87 0, 0.0 2,-0.4 0, 0.0 23,-0.0 0.000 360.0 360.0 360.0 167.9 -38.2 28.6 0.3 2 2 A T + 0 0 133 21,-0.0 2,-0.3 23,-0.0 21,-0.0 -0.739 360.0 103.3 -88.9 132.8 -40.4 25.6 -0.5 3 3 A G - 0 0 39 -2,-0.4 2,-0.4 23,-0.0 22,-0.2 -0.979 68.1 -64.7 176.2-172.7 -39.9 24.4 -4.1 4 4 A T E -A 24 0A 88 20,-2.0 20,-3.5 -2,-0.3 2,-0.2 -0.869 49.6-111.4-106.7 136.8 -38.5 21.8 -6.4 5 5 A S E +A 23 0A 67 -2,-0.4 2,-0.2 18,-0.2 18,-0.2 -0.474 45.6 168.6 -68.6 131.5 -34.7 21.4 -6.9 6 6 A T E -A 22 0A 34 16,-2.5 16,-2.4 -2,-0.2 2,-0.4 -0.758 32.0-121.8-135.1 174.7 -33.5 22.4 -10.3 7 7 A V E -A 21 0A 90 -2,-0.2 14,-0.2 14,-0.2 2,-0.2 -0.995 28.0-177.7-128.8 124.1 -30.2 23.1 -12.1 8 8 A G E -A 20 0A 3 12,-3.0 12,-2.1 -2,-0.4 2,-0.4 -0.511 15.4-136.4-108.0 179.8 -29.5 26.4 -13.7 9 9 A V E +Ab 19 61A 20 51,-1.8 53,-3.0 10,-0.2 2,-0.3 -0.996 30.2 146.3-139.2 147.1 -26.5 27.6 -15.7 10 10 A G E -Ab 18 62A 0 8,-2.4 8,-2.7 -2,-0.4 2,-0.4 -0.859 41.8 -95.8-155.0-169.2 -24.5 30.8 -15.6 11 11 A R E -A 17 0A 106 51,-1.8 60,-0.2 -2,-0.3 6,-0.2 -0.986 33.3-144.2-124.2 130.1 -21.3 32.7 -16.0 12 12 A G > - 0 0 4 4,-2.4 3,-2.1 -2,-0.4 56,-0.2 -0.140 40.4 -80.5 -83.6-178.4 -19.0 33.5 -13.0 13 13 A V T 3 S+ 0 0 32 55,-0.5 55,-0.1 1,-0.3 122,-0.1 0.856 130.3 50.2 -53.7 -40.8 -16.9 36.6 -12.4 14 14 A L T 3 S- 0 0 88 121,-0.1 -1,-0.3 54,-0.1 3,-0.1 0.389 121.8-104.3 -84.9 5.4 -14.1 35.3 -14.6 15 15 A G S < S+ 0 0 37 -3,-2.1 2,-0.3 1,-0.3 -2,-0.1 0.494 73.6 144.5 87.1 3.8 -16.5 34.5 -17.5 16 16 A D - 0 0 54 1,-0.1 -4,-2.4 -5,-0.0 2,-0.3 -0.567 47.1-129.3 -79.2 134.0 -16.5 30.8 -16.8 17 17 A Q E +A 11 0A 113 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.3 -0.602 35.9 164.7 -83.6 137.1 -19.7 28.9 -17.4 18 18 A K E -A 10 0A 16 -8,-2.7 -8,-2.4 -2,-0.3 2,-0.3 -0.996 35.9-118.3-147.0 157.2 -21.0 26.6 -14.6 19 19 A N E -A 9 0A 103 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.2 -0.707 32.5-164.4 -86.7 150.3 -24.1 24.8 -13.6 20 20 A I E -A 8 0A 3 -12,-2.1 -12,-3.0 -2,-0.3 2,-0.5 -0.987 22.7-114.1-136.5 149.0 -25.6 25.8 -10.2 21 21 A N E +A 7 0A 41 -2,-0.4 -14,-0.2 -14,-0.2 2,-0.2 -0.663 44.9 169.9 -83.2 125.3 -28.2 24.2 -7.9 22 22 A T E -A 6 0A 1 -16,-2.4 -16,-2.5 -2,-0.5 2,-0.4 -0.713 28.8-125.7-128.7 176.6 -31.4 26.2 -7.7 23 23 A T E -AC 5 29A 0 6,-1.9 6,-2.8 -18,-0.2 2,-0.6 -0.993 18.5-142.8-130.3 129.0 -34.9 26.0 -6.3 24 24 A Y E +AC 4 28A 92 -20,-3.5 -20,-2.0 -2,-0.4 4,-0.2 -0.823 40.8 134.4-104.4 126.5 -38.1 26.6 -8.3 25 25 A S S S- 0 0 50 2,-2.4 2,-2.5 -2,-0.6 -2,-0.0 -0.619 95.9 -48.2-161.1 89.4 -41.2 28.3 -6.9 26 26 A T S S+ 0 0 112 -2,-0.1 2,-0.2 32,-0.0 -2,-0.1 -0.358 139.2 38.6 68.8 -55.1 -42.5 30.8 -9.4 27 27 A Y S S- 0 0 116 -2,-2.5 -2,-2.4 -4,-0.1 2,-0.6 -0.715 93.5-110.4-106.8 166.6 -39.0 32.1 -9.7 28 28 A Y E -CD 24 57A 55 29,-3.1 29,-2.3 -2,-0.2 2,-0.3 -0.901 40.4-160.9 -97.0 123.1 -35.7 30.2 -9.7 29 29 A Y E -CD 23 56A 46 -6,-2.8 2,-2.2 -2,-0.6 -6,-1.9 -0.777 29.0-114.3-105.5 149.3 -33.8 30.9 -6.5 30 30 A L S S+ 0 0 0 25,-2.4 11,-2.3 11,-0.3 2,-0.4 -0.577 72.0 129.1 -78.8 81.2 -30.2 30.5 -5.7 31 31 A Q E -E 40 0B 10 -2,-2.2 2,-0.7 9,-0.2 9,-0.2 -0.931 45.2-157.6-139.5 112.9 -31.0 27.9 -3.1 32 32 A D E +E 39 0B 2 7,-3.0 7,-1.7 -2,-0.4 3,-0.4 -0.868 13.1 177.5 -95.9 111.4 -29.1 24.6 -3.3 33 33 A N + 0 0 58 -2,-0.7 -1,-0.1 -11,-0.3 5,-0.1 0.349 67.4 80.3 -91.0 -1.1 -31.0 21.8 -1.6 34 34 A T S S+ 0 0 83 1,-0.1 2,-0.5 5,-0.1 -1,-0.2 0.589 86.5 61.2 -84.4 -8.7 -28.4 19.1 -2.4 35 35 A R S > S- 0 0 44 -3,-0.4 3,-2.3 4,-0.1 -1,-0.1 -0.927 111.1 -59.6-127.9 118.7 -26.1 20.0 0.4 36 36 A G T 3 S- 0 0 29 -2,-0.5 3,-0.1 1,-0.3 62,-0.1 -0.200 113.2 -23.1 55.0-137.8 -26.8 19.9 4.1 37 37 A D T 3 S- 0 0 111 60,-0.9 -1,-0.3 1,-0.3 62,-0.2 0.101 119.0 -76.4 -94.8 25.0 -29.7 22.1 5.1 38 38 A G < - 0 0 1 -3,-2.3 62,-2.4 60,-0.1 2,-0.4 -0.059 31.4-109.6 112.9 152.8 -29.1 24.2 2.0 39 39 A I E -Ef 32 100B 0 -7,-1.7 -7,-3.0 60,-0.2 2,-0.4 -0.999 35.0-168.6-119.8 124.9 -26.9 26.8 0.5 40 40 A F E -Ef 31 101B 22 60,-2.9 62,-2.5 -2,-0.4 2,-0.4 -0.969 7.3-164.3-120.7 123.7 -28.6 30.2 0.1 41 41 A T E - f 0 102B 0 -11,-2.3 14,-2.5 -2,-0.4 -11,-0.3 -0.940 12.7-163.8-115.2 131.6 -27.2 33.2 -1.9 42 42 A Y E -Gf 54 103B 25 60,-3.4 62,-2.3 -2,-0.4 2,-0.6 -0.778 20.1-127.5-114.7 154.9 -28.7 36.7 -1.4 43 43 A D E -Gf 53 104B 19 10,-2.7 10,-1.9 -2,-0.3 62,-0.2 -0.918 15.9-175.7 -97.6 114.4 -28.7 40.1 -3.3 44 44 A A > - 0 0 4 60,-2.8 3,-2.6 -2,-0.6 5,-0.3 0.486 30.9-141.6 -88.9 -2.3 -27.6 43.0 -1.0 45 45 A K T 3 - 0 0 113 59,-0.3 61,-0.1 1,-0.3 60,-0.1 0.765 61.0 -59.6 53.7 35.4 -28.3 45.3 -3.9 46 46 A Y T 3 S+ 0 0 104 59,-2.9 -1,-0.3 1,-0.3 2,-0.2 0.495 116.2 103.9 71.6 10.4 -25.3 47.6 -3.1 47 47 A R S < S- 0 0 175 -3,-2.6 60,-2.0 58,-0.3 -1,-0.3 -0.515 74.7-122.9-108.4-176.1 -26.5 48.4 0.4 48 48 A T + 0 0 78 58,-0.2 2,-0.4 -2,-0.2 -3,-0.1 0.336 69.9 113.0-116.0 12.7 -25.3 47.1 3.7 49 49 A T - 0 0 93 -5,-0.3 -2,-0.2 2,-0.1 58,-0.1 -0.692 68.6 -99.7 -83.1 135.4 -28.4 45.6 5.2 50 50 A L S S- 0 0 55 -2,-0.4 -2,-0.1 1,-0.2 71,-0.0 -0.885 81.9 -3.7-123.3 149.1 -28.1 41.8 5.5 51 51 A P S S- 0 0 45 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.990 80.1-169.6 -84.0 -9.1 -28.8 39.4 4.3 52 52 A G - 0 0 36 -10,-0.1 2,-0.4 -8,-0.1 -8,-0.2 -0.730 48.8 -24.0 94.4-153.7 -30.9 41.2 1.7 53 53 A S E -G 43 0B 45 -10,-1.9 -10,-2.7 -2,-0.3 -8,-0.1 -0.814 66.7-105.5-107.1 138.2 -33.2 39.2 -0.7 54 54 A L E -G 42 0B 30 -2,-0.4 -12,-0.3 -12,-0.2 2,-0.2 -0.373 54.7 -95.1 -55.1 129.2 -32.9 35.6 -1.6 55 55 A W - 0 0 9 -14,-2.5 -25,-2.4 -25,-0.3 2,-0.4 -0.351 49.7-172.5 -61.5 116.1 -31.6 35.6 -5.2 56 56 A A E +D 29 0A 45 -27,-0.2 2,-0.4 -2,-0.2 -27,-0.2 -0.901 7.3 179.0-114.0 133.1 -34.5 35.3 -7.6 57 57 A D E -D 28 0A 23 -29,-2.3 -29,-3.1 -2,-0.4 3,-0.2 -1.000 26.2-140.2-139.7 137.9 -34.3 34.8 -11.4 58 58 A A S S+ 0 0 76 -2,-0.4 -1,-0.1 -31,-0.2 -29,-0.1 0.821 95.4 20.2 -69.1 -34.4 -37.1 34.4 -13.9 59 59 A D S S- 0 0 94 2,-0.3 -1,-0.2 -31,-0.1 3,-0.1 0.344 95.7-112.6-125.2 11.4 -35.5 31.8 -16.2 60 60 A N S S+ 0 0 16 1,-0.2 -51,-1.8 -3,-0.2 2,-0.5 0.610 81.6 117.3 69.7 9.5 -32.8 29.8 -14.4 61 61 A Q E -b 9 0A 94 -53,-0.2 2,-0.3 -33,-0.0 -2,-0.3 -0.945 43.2-172.6-110.7 129.4 -30.1 31.3 -16.7 62 62 A F E +b 10 0A 0 -53,-3.0 -51,-1.8 -2,-0.5 9,-0.1 -0.436 39.8 122.3-124.8 60.3 -27.5 33.5 -15.0 63 63 A F + 0 0 75 -2,-0.3 -1,-0.2 -53,-0.2 2,-0.1 0.318 40.2 115.5-105.2 6.2 -25.4 35.1 -17.7 64 64 A A S >> S- 0 0 49 -3,-0.2 4,-1.0 1,-0.1 3,-0.9 -0.446 74.6-121.7 -71.4 149.1 -26.0 38.8 -16.7 65 65 A S G >4 S+ 0 0 120 1,-0.3 3,-0.9 2,-0.2 -1,-0.1 0.911 116.0 54.3 -47.3 -47.7 -23.1 40.9 -15.5 66 66 A Y G 34 S+ 0 0 69 1,-0.3 4,-0.4 2,-0.1 -1,-0.3 0.730 105.1 54.7 -64.6 -25.6 -25.0 41.5 -12.3 67 67 A D G X> S+ 0 0 18 -3,-0.9 4,-2.5 1,-0.2 3,-0.6 0.728 85.2 84.1 -80.1 -23.3 -25.5 37.7 -11.8 68 68 A A H S+ 0 0 5 0, 0.0 4,-2.3 0, 0.0 -1,-0.3 0.890 114.4 50.2 -61.7 -30.6 -20.7 37.4 -8.3 70 70 A A H <> S+ 0 0 0 -3,-0.6 4,-2.3 -4,-0.4 5,-0.3 0.901 106.6 54.1 -69.1 -42.8 -23.9 35.5 -7.2 71 71 A V H X S+ 0 0 0 -4,-2.5 4,-2.4 -60,-0.2 -1,-0.2 0.935 114.2 41.1 -56.4 -45.8 -23.1 32.6 -9.5 72 72 A D H X S+ 0 0 0 -4,-2.3 4,-3.1 2,-0.2 5,-0.4 0.893 111.1 53.6 -75.9 -39.0 -19.6 32.2 -7.9 73 73 A A H X S+ 0 0 0 -4,-2.3 4,-1.5 -5,-0.2 -1,-0.2 0.935 116.0 42.7 -55.5 -42.8 -20.6 32.8 -4.3 74 74 A H H X S+ 0 0 3 -4,-2.3 4,-1.7 -5,-0.2 -2,-0.2 0.940 117.9 43.4 -70.5 -48.1 -23.1 30.0 -4.7 75 75 A Y H X S+ 0 0 93 -4,-2.4 4,-2.1 -5,-0.3 -2,-0.2 0.947 114.6 47.3 -69.0 -47.5 -21.0 27.6 -6.6 76 76 A Y H X S+ 0 0 26 -4,-3.1 4,-2.5 1,-0.3 -1,-0.2 0.837 107.6 56.6 -70.4 -26.8 -17.8 28.0 -4.6 77 77 A A H X S+ 0 0 0 -4,-1.5 4,-2.6 -5,-0.4 -1,-0.3 0.919 107.0 51.5 -63.7 -36.2 -19.7 27.6 -1.3 78 78 A G H X S+ 0 0 0 -4,-1.7 4,-2.3 1,-0.2 -2,-0.2 0.927 110.4 47.8 -64.3 -39.9 -21.0 24.3 -2.8 79 79 A V H X S+ 0 0 12 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.913 111.3 50.3 -67.1 -37.1 -17.4 23.3 -3.5 80 80 A T H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 5,-0.3 0.930 109.0 51.4 -65.7 -45.7 -16.2 24.3 -0.0 81 81 A Y H X S+ 0 0 12 -4,-2.6 4,-2.3 1,-0.2 5,-0.2 0.936 110.0 51.3 -51.4 -51.4 -19.0 22.3 1.6 82 82 A D H X S+ 0 0 38 -4,-2.3 4,-2.7 1,-0.2 5,-0.5 0.901 107.5 53.1 -56.0 -43.1 -17.9 19.3 -0.5 83 83 A Y H X>S+ 0 0 10 -4,-2.1 4,-2.5 1,-0.2 5,-0.7 0.974 111.8 42.6 -58.0 -56.2 -14.3 19.7 0.6 84 84 A Y H X5S+ 0 0 5 -4,-2.5 6,-2.9 3,-0.2 4,-1.0 0.884 119.3 45.5 -64.3 -30.4 -15.1 19.7 4.3 85 85 A K H X5S+ 0 0 92 -4,-2.3 4,-1.4 -5,-0.3 -2,-0.2 0.984 120.9 33.8 -73.5 -58.2 -17.6 16.8 3.9 86 86 A N H <5S+ 0 0 100 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.811 129.8 34.4 -66.5 -31.5 -15.6 14.5 1.6 87 87 A V H <5S+ 0 0 53 -4,-2.5 -3,-0.2 -5,-0.5 -1,-0.2 0.803 133.9 18.8-102.3 -31.2 -12.2 15.3 3.0 88 88 A H H < S- 0 0 5 -2,-0.8 3,-1.0 5,-0.2 7,-0.1 0.080 93.5 -55.5 56.6-172.9 -21.2 22.3 7.0 93 93 A Y T 3 S+ 0 0 19 5,-0.3 -1,-0.2 1,-0.3 58,-0.2 0.831 139.6 44.3 -75.3 -22.9 -19.4 24.8 9.2 94 94 A D T 3 S- 0 0 44 -3,-0.2 -1,-0.3 4,-0.1 -2,-0.2 0.432 109.0-119.2 -97.1 4.8 -21.0 23.8 12.5 95 95 A G S < S+ 0 0 32 -3,-1.0 -4,-0.3 -4,-0.5 -3,-0.2 0.506 101.9 80.8 75.1 1.3 -20.6 20.1 11.7 96 96 A N S S- 0 0 125 -5,-0.2 -4,-0.2 -6,-0.1 -1,-0.1 -0.038 114.1 -95.5-130.9 33.6 -24.4 19.6 11.9 97 97 A N - 0 0 36 -6,-2.2 -60,-0.9 1,-0.1 -5,-0.2 0.850 53.6-173.4 59.7 42.7 -25.3 20.9 8.4 98 98 A A - 0 0 21 -7,-0.5 -5,-0.3 1,-0.1 -61,-0.2 -0.350 37.0 -93.6 -60.4 147.6 -26.1 24.5 9.2 99 99 A A - 0 0 15 -62,-0.2 2,-0.6 -63,-0.1 -60,-0.2 -0.401 37.7-135.9 -61.2 133.6 -27.5 26.4 6.3 100 100 A I E -f 39 0B 1 -62,-2.4 -60,-2.9 -2,-0.1 2,-0.4 -0.836 24.9-171.4 -98.1 123.5 -24.8 28.3 4.4 101 101 A R E +f 40 0B 90 -2,-0.6 19,-2.5 17,-0.3 2,-0.4 -0.938 8.1 178.1-120.3 138.7 -25.8 31.8 3.6 102 102 A S E -fh 41 120B 0 -62,-2.5 -60,-3.4 -2,-0.4 2,-0.4 -0.993 11.4-160.2-134.0 144.9 -24.0 34.4 1.4 103 103 A S E -fh 42 121B 0 17,-1.9 19,-2.3 -2,-0.4 2,-0.2 -0.991 12.3-172.5-120.5 136.3 -24.8 37.9 0.3 104 104 A V E +f 43 0B 1 -62,-2.3 -60,-2.8 -2,-0.4 -59,-0.3 -0.685 62.0 46.4-119.5 175.8 -23.2 39.6 -2.8 105 105 A H E S+ 0 0 6 17,-0.4 -59,-2.9 -2,-0.2 2,-0.4 0.871 75.9 176.7 58.2 38.3 -23.2 43.2 -4.2 106 106 A Y E - h 0 123B 32 16,-1.9 18,-0.5 -3,-0.2 4,-0.4 -0.582 48.8 -32.8 -76.1 127.8 -22.6 44.3 -0.6 107 107 A S S S- 0 0 32 -60,-2.0 2,-0.4 -2,-0.4 -60,-0.1 -0.105 93.0 -62.8 58.2-160.5 -22.2 48.1 -0.4 108 108 A Q S S- 0 0 156 1,-0.1 3,-0.2 15,-0.1 18,-0.1 -0.995 108.9 -10.5-127.9 128.2 -20.6 50.1 -3.3 109 109 A G S S+ 0 0 41 -2,-0.4 2,-0.6 16,-0.3 17,-0.2 0.773 86.5 175.0 56.9 30.2 -17.0 49.7 -4.5 110 110 A Y - 0 0 62 -4,-0.4 15,-1.8 15,-0.3 2,-0.4 -0.563 23.8-163.9 -83.1 116.7 -16.4 47.5 -1.4 111 111 A N + 0 0 41 -2,-0.6 2,-0.3 -3,-0.2 -1,-0.1 -0.118 59.6 74.2 -89.5 37.5 -12.9 45.9 -1.3 112 112 A N - 0 0 84 -2,-0.4 11,-2.4 18,-0.0 2,-0.3 -0.947 51.5-161.9-143.6 163.8 -13.6 43.3 1.3 113 113 A A E +I 122 0B 17 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.955 26.0 162.9-138.7 152.7 -15.3 39.9 2.0 114 114 A F E -I 121 0B 51 7,-2.3 7,-2.4 -2,-0.3 2,-0.5 -0.980 42.7-115.2-161.6 165.7 -16.1 38.6 5.5 115 115 A W E -I 120 0B 25 -2,-0.3 5,-0.2 5,-0.2 -2,-0.0 -0.965 26.3-162.7-103.2 122.6 -18.0 36.2 7.8 116 116 A N - 0 0 67 3,-2.7 4,-0.1 -2,-0.5 -1,-0.0 0.243 55.3 -86.3 -99.9 17.5 -20.3 38.4 10.0 117 117 A G S S+ 0 0 44 2,-0.2 3,-0.1 0, 0.0 -2,-0.0 0.083 125.5 34.0 102.8 -20.8 -21.0 35.8 12.7 118 118 A S S S+ 0 0 82 1,-0.4 2,-0.3 -17,-0.0 -17,-0.3 0.564 120.3 9.2-140.7 -19.9 -23.8 34.3 10.7 119 119 A E S S- 0 0 11 -19,-0.1 -3,-2.7 -16,-0.0 -1,-0.4 -0.972 70.5 -96.1-159.8 165.6 -23.1 34.5 7.0 120 120 A M E -hI 102 115B 0 -19,-2.5 -17,-1.9 -2,-0.3 2,-0.4 -0.645 34.4-165.2 -88.8 146.7 -20.6 35.3 4.2 121 121 A V E -hI 103 114B 0 -7,-2.4 -7,-2.3 -2,-0.3 2,-0.4 -0.996 3.5-168.2-138.6 129.6 -20.5 38.7 2.7 122 122 A Y E - 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0 0 74 -2,-0.4 -9,-0.3 -9,-0.2 53,-0.1 -0.735 29.4-128.2 -79.6 116.4 11.0 17.6 4.1 257 257 A G - 0 0 33 -2,-0.6 -12,-0.3 -11,-0.4 -11,-0.2 -0.357 22.0-171.2 -67.8 146.7 7.5 18.1 2.5 258 258 A I - 0 0 24 -14,-3.0 4,-0.4 1,-0.2 -13,-0.2 0.353 45.4-108.1-117.2 0.2 4.7 15.7 3.3 259 259 A G > - 0 0 27 -14,-1.9 4,-1.9 -15,-0.4 -1,-0.2 0.077 30.2 -75.0 95.1 155.1 2.1 16.9 0.8 260 260 A R H > S+ 0 0 86 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.841 120.9 54.6 -50.7 -51.8 -1.2 18.8 0.8 261 261 A D H > S+ 0 0 122 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.937 110.6 44.5 -62.2 -45.2 -3.4 16.1 2.1 262 262 A K H > S+ 0 0 78 -4,-0.4 4,-3.0 2,-0.2 5,-0.3 0.909 111.2 55.1 -67.2 -39.2 -1.4 15.4 5.3 263 263 A L H X S+ 0 0 0 -4,-1.9 4,-2.7 1,-0.2 5,-0.3 0.952 110.4 46.7 -53.4 -48.2 -1.0 19.1 5.9 264 264 A G H X S+ 0 0 2 -4,-2.8 4,-2.2 1,-0.2 5,-0.3 0.915 111.7 50.0 -63.6 -41.4 -4.8 19.3 5.8 265 265 A K H X S+ 0 0 93 -4,-2.5 4,-2.2 -5,-0.2 5,-0.2 0.946 113.5 46.4 -62.0 -44.7 -5.3 16.4 8.1 266 266 A I H X S+ 0 0 0 -4,-3.0 4,-2.4 1,-0.2 -2,-0.2 0.962 115.9 42.2 -64.7 -47.7 -2.9 17.7 10.6 267 267 A F H X S+ 0 0 0 -4,-2.7 4,-2.4 -5,-0.3 -1,-0.2 0.834 112.3 54.3 -73.1 -28.2 -4.2 21.3 10.7 268 268 A Y H X S+ 0 0 31 -4,-2.2 4,-2.1 -5,-0.3 -1,-0.2 0.907 111.0 46.7 -69.1 -41.0 -7.8 20.2 10.7 269 269 A R H X>S+ 0 0 86 -4,-2.2 4,-2.2 -5,-0.3 5,-0.6 0.918 112.9 48.6 -64.8 -43.6 -7.1 18.0 13.7 270 270 A A H X>S+ 0 0 0 -4,-2.4 5,-3.0 -5,-0.2 4,-1.8 0.933 112.4 50.4 -61.1 -44.4 -5.3 20.8 15.5 271 271 A L H <5S+ 0 0 1 -4,-2.4 -118,-0.3 1,-0.2 -1,-0.2 0.864 120.1 32.4 -59.9 -42.3 -8.1 23.2 14.7 272 272 A T H <5S+ 0 0 37 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.657 130.8 27.6 -99.1 -13.5 -10.9 20.9 16.0 273 273 A Q H <5S+ 0 0 126 -4,-2.2 -3,-0.2 -5,-0.2 -2,-0.2 0.672 128.4 19.6-119.2 -22.7 -9.2 19.1 18.9 274 274 A Y T < - 0 0 64 -122,-0.1 3,-2.1 -120,-0.0 -120,-0.1 -0.845 41.3 -85.9-131.3 165.8 -8.5 27.2 21.9 277 277 A P T 3 S+ 0 0 62 0, 0.0 -121,-2.9 0, 0.0 -123,-0.1 0.746 127.3 37.5 -46.2 -28.1 -9.7 30.8 21.7 278 278 A T T 3 S+ 0 0 92 -123,-0.2 -117,-0.1 -125,-0.1 -118,-0.1 0.294 79.1 143.3-114.8 16.1 -6.4 32.1 23.1 279 279 A S < - 0 0 5 -3,-2.1 -115,-0.2 -126,-0.1 2,-0.2 -0.248 33.1-156.6 -52.8 138.4 -3.8 29.8 21.5 280 280 A N > - 0 0 60 -119,-0.1 4,-2.4 -120,-0.1 3,-0.3 -0.553 36.2 -88.1-107.8 179.1 -0.6 31.5 20.5 281 281 A F H > S+ 0 0 1 1,-0.3 4,-2.4 2,-0.2 5,-0.1 0.878 127.3 52.3 -58.6 -41.8 2.0 30.4 17.9 282 282 A S H > S+ 0 0 55 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.914 110.5 48.0 -62.0 -37.1 3.9 28.3 20.3 283 283 A Q H > S+ 0 0 95 -3,-0.3 4,-2.4 1,-0.2 -2,-0.2 0.877 107.6 55.6 -76.1 -27.7 0.7 26.5 21.3 284 284 A L H X S+ 0 0 0 -4,-2.4 4,-3.0 2,-0.2 5,-0.3 0.937 105.0 53.5 -63.3 -41.3 -0.2 26.0 17.7 285 285 A R H X S+ 0 0 35 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.955 111.0 45.4 -57.4 -46.1 3.1 24.3 17.2 286 286 A A H X S+ 0 0 61 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.873 113.1 51.4 -62.8 -37.6 2.4 21.9 20.1 287 287 A A H X S+ 0 0 7 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.906 111.4 46.9 -64.3 -40.3 -1.1 21.3 18.7 288 288 A A H X S+ 0 0 0 -4,-3.0 4,-2.5 2,-0.2 5,-0.2 0.894 113.4 48.3 -70.9 -37.5 0.3 20.5 15.3 289 289 A V H X S+ 0 0 26 -4,-2.5 4,-2.1 -5,-0.3 -2,-0.2 0.912 113.2 47.1 -68.1 -40.6 2.9 18.2 16.7 290 290 A Q H X S+ 0 0 86 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.861 112.9 50.1 -69.7 -35.0 0.4 16.4 18.9 291 291 A S H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.914 111.5 46.6 -67.8 -46.3 -2.0 16.1 15.9 292 292 A A H X>S+ 0 0 0 -4,-2.5 4,-3.0 2,-0.2 5,-0.5 0.913 112.4 52.5 -61.2 -39.9 0.6 14.7 13.6 293 293 A T H X5S+ 0 0 34 -4,-2.1 4,-2.2 -5,-0.2 -2,-0.2 0.946 108.7 48.9 -64.2 -43.8 1.6 12.4 16.4 294 294 A D H <5S+ 0 0 60 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.925 118.8 40.4 -53.7 -45.3 -2.0 11.2 16.8 295 295 A L H <5S+ 0 0 60 -4,-2.4 -2,-0.2 1,-0.1 -1,-0.2 0.867 134.0 11.7 -79.6 -35.6 -2.3 10.6 13.1 296 296 A Y H <5S- 0 0 75 -4,-3.0 -3,-0.2 -5,-0.1 -2,-0.2 0.399 107.3 -94.6-127.8 -3.1 1.0 9.1 12.1 297 297 A G ><< - 0 0 30 -4,-2.2 3,-2.5 -5,-0.5 6,-0.4 0.200 37.1 -89.1 95.3 140.9 2.9 8.1 15.3 298 298 A S T 3 S+ 0 0 86 1,-0.3 -1,-0.1 -5,-0.1 -5,-0.1 0.759 125.5 52.9 -60.9 -23.3 5.5 10.0 17.3 299 299 A T T 3 S+ 0 0 137 -3,-0.1 -1,-0.3 -6,-0.1 -2,-0.1 0.308 87.1 125.9 -95.7 14.0 8.4 8.6 15.2 300 300 A S S <> S- 0 0 15 -3,-2.5 4,-1.7 1,-0.1 -3,-0.1 -0.201 70.5-127.9 -68.9 158.5 6.8 9.7 11.9 301 301 A Q H > S+ 0 0 94 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.854 112.2 61.6 -56.7 -42.1 8.3 11.7 9.1 302 302 A E H > S+ 0 0 21 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.919 105.1 43.4 -59.3 -45.7 5.2 13.8 9.5 303 303 A V H > S+ 0 0 2 -6,-0.4 4,-2.1 -11,-0.2 -1,-0.2 0.950 113.4 52.4 -66.7 -40.9 5.9 14.8 13.0 304 304 A A H X S+ 0 0 37 -4,-1.7 4,-2.1 1,-0.2 -2,-0.2 0.913 109.7 49.6 -62.5 -36.5 9.5 15.4 12.2 305 305 A S H X S+ 0 0 0 -4,-2.9 4,-2.4 2,-0.2 -1,-0.2 0.876 105.7 55.6 -71.7 -36.2 8.5 17.7 9.4 306 306 A V H X S+ 0 0 0 -4,-2.0 4,-2.5 -5,-0.2 5,-0.2 0.953 110.0 46.6 -59.0 -44.2 6.1 19.7 11.5 307 307 A K H X S+ 0 0 87 -4,-2.1 4,-2.8 1,-0.2 -2,-0.2 0.940 110.9 51.7 -64.6 -44.0 8.9 20.5 13.9 308 308 A Q H X S+ 0 0 55 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.874 109.7 51.4 -55.2 -43.0 11.3 21.4 11.2 309 309 A A H X S+ 0 0 0 -4,-2.4 4,-1.7 2,-0.2 -1,-0.2 0.939 111.7 43.7 -64.2 -50.0 8.7 23.8 9.7 310 310 A F H <>S+ 0 0 0 -4,-2.5 5,-2.6 1,-0.2 4,-0.3 0.913 113.2 53.9 -68.2 -33.4 8.0 25.6 12.9 311 311 A D H ><5S+ 0 0 62 -4,-2.8 3,-1.5 -5,-0.2 -2,-0.2 0.936 105.3 54.2 -57.9 -44.4 11.8 25.7 13.6 312 312 A A H 3<5S+ 0 0 1 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.842 109.8 46.2 -63.5 -30.6 12.3 27.3 10.2 313 313 A V T 3<5S- 0 0 0 -4,-1.7 -96,-3.2 2,-0.2 -1,-0.3 0.384 118.2-110.9 -95.6 9.5 9.9 30.1 11.0 314 314 A G T < 5S+ 0 0 13 -3,-1.5 2,-0.6 -4,-0.3 -3,-0.2 0.769 71.7 138.3 77.6 23.2 11.4 30.6 14.4 315 315 A V < 0 0 4 -5,-2.6 -1,-0.2 -6,-0.2 -2,-0.2 -0.922 360.0 360.0-105.9 112.6 8.4 29.3 16.4 316 316 A K 0 0 155 -2,-0.6 -31,-0.2 -3,-0.1 -30,-0.1 -0.623 360.0 360.0-103.7 360.0 9.4 27.1 19.4