==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 17-MAY-10 3N21 . COMPND 2 MOLECULE: THERMOLYSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS THERMOPROTEOLYTICUS; . AUTHOR J.BEHNEN,A.HEINE,G.KLEBE . 316 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12519.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 227 71.8 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 10.8 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 . 30 9.5 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 . 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 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 82 0, 0.0 2,-0.4 0, 0.0 28,-0.0 0.000 360.0 360.0 360.0 162.4 8.4 52.0 -0.4 2 2 A T + 0 0 131 21,-0.0 2,-0.3 23,-0.0 21,-0.0 -0.747 360.0 97.2 -89.8 136.6 6.2 55.0 0.4 3 3 A G - 0 0 48 -2,-0.4 2,-0.4 23,-0.0 22,-0.2 -0.909 69.9 -57.1-179.2-151.1 6.5 56.3 3.9 4 4 A T E -A 24 0A 83 20,-1.9 20,-2.7 -2,-0.3 2,-0.2 -0.981 47.8-110.9-126.0 140.7 8.2 58.8 6.2 5 5 A S E +A 23 0A 67 -2,-0.4 18,-0.3 18,-0.2 2,-0.2 -0.442 45.0 167.3 -71.3 132.3 11.9 59.3 6.7 6 6 A T E -A 22 0A 42 16,-2.9 16,-2.2 -2,-0.2 2,-0.5 -0.781 32.8-119.2-135.2 179.4 13.1 58.3 10.2 7 7 A V E -A 21 0A 89 -2,-0.2 14,-0.2 14,-0.2 2,-0.2 -0.970 27.7-172.2-129.9 116.6 16.3 57.7 11.9 8 8 A G E -A 20 0A 2 12,-3.3 12,-2.6 -2,-0.5 2,-0.3 -0.473 11.3-140.6-100.6 173.7 17.1 54.3 13.5 9 9 A V E +Ab 19 61A 33 51,-1.7 53,-3.1 10,-0.2 2,-0.3 -0.984 31.9 133.7-134.6 144.0 20.0 53.2 15.7 10 10 A G E -Ab 18 62A 0 8,-2.2 8,-2.7 -2,-0.3 2,-0.4 -0.947 45.4 -90.3-166.2-170.4 22.0 50.0 15.7 11 11 A R E -A 17 0A 108 51,-1.9 60,-0.2 -2,-0.3 6,-0.2 -0.953 32.6-139.7-120.3 138.6 25.4 48.2 15.9 12 12 A G > - 0 0 3 4,-2.4 3,-2.1 -2,-0.4 56,-0.2 -0.189 41.5 -80.3 -86.8-176.5 27.6 47.2 13.0 13 13 A V T 3 S+ 0 0 28 55,-0.6 55,-0.1 1,-0.3 122,-0.1 0.790 130.6 50.2 -52.2 -36.9 29.6 44.1 12.3 14 14 A L T 3 S- 0 0 87 54,-0.1 -1,-0.3 121,-0.1 178,-0.0 0.339 122.1-104.3 -91.6 6.1 32.5 45.4 14.6 15 15 A G S < S+ 0 0 48 -3,-2.1 2,-0.3 1,-0.3 -2,-0.1 0.568 72.7 144.6 87.5 11.9 30.1 46.2 17.4 16 16 A D - 0 0 58 1,-0.1 -4,-2.4 -5,-0.0 2,-0.3 -0.642 48.1-124.6 -87.1 135.0 30.1 49.9 16.8 17 17 A Q E +A 11 0A 136 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.2 -0.583 38.8 161.2 -81.1 133.2 27.0 52.0 17.4 18 18 A K E -A 10 0A 16 -8,-2.7 -8,-2.2 -2,-0.3 2,-0.3 -0.994 36.5-117.6-148.2 154.3 25.7 54.2 14.5 19 19 A N E -A 9 0A 102 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.2 -0.685 30.8-163.4 -89.3 147.9 22.6 56.0 13.4 20 20 A I E -A 8 0A 4 -12,-2.6 -12,-3.3 -2,-0.3 2,-0.5 -0.986 22.1-116.7-134.7 146.2 20.9 54.9 10.1 21 21 A N E +A 7 0A 40 -2,-0.4 -14,-0.2 -14,-0.2 2,-0.2 -0.714 44.3 169.5 -82.2 121.5 18.4 56.5 7.8 22 22 A T E -A 6 0A 1 -16,-2.2 -16,-2.9 -2,-0.5 2,-0.4 -0.636 29.3-127.9-123.8 178.9 15.2 54.4 7.7 23 23 A T E -AC 5 29A 0 6,-1.9 6,-3.0 -18,-0.3 2,-0.5 -0.993 18.4-142.5-135.7 125.3 11.6 54.7 6.3 24 24 A Y E +AC 4 28A 93 -20,-2.7 -20,-1.9 -2,-0.4 4,-0.2 -0.819 39.5 138.8 -99.5 130.9 8.5 54.0 8.4 25 25 A S S S- 0 0 50 2,-2.6 2,-2.7 -2,-0.5 -2,-0.0 -0.549 95.1 -49.7-162.4 85.2 5.4 52.3 6.9 26 26 A T S S+ 0 0 113 -2,-0.1 2,-0.2 32,-0.0 -2,-0.1 -0.350 140.4 37.8 69.9 -56.5 4.1 49.8 9.5 27 27 A Y S S- 0 0 117 -2,-2.7 -2,-2.6 -4,-0.1 2,-0.6 -0.705 94.4-110.3-105.7 171.2 7.6 48.5 9.8 28 28 A Y E -CD 24 57A 57 29,-3.0 29,-2.3 -2,-0.2 2,-0.3 -0.924 38.6-159.4-100.3 122.0 10.9 50.5 9.7 29 29 A Y E -CD 23 56A 47 -6,-3.0 2,-2.0 -2,-0.6 -6,-1.9 -0.758 29.3-114.4-104.4 148.9 12.8 49.8 6.5 30 30 A L S S+ 0 0 0 25,-1.9 11,-2.3 11,-0.4 2,-0.4 -0.583 72.2 129.2 -77.5 77.5 16.4 50.2 5.6 31 31 A Q E -E 40 0B 11 -2,-2.0 2,-0.7 9,-0.2 9,-0.2 -0.950 44.6-159.3-139.1 108.1 15.6 52.8 3.0 32 32 A D E > -E 39 0B 1 7,-2.5 7,-1.5 -2,-0.4 3,-0.6 -0.869 11.1-179.7 -94.2 105.3 17.5 56.1 3.3 33 33 A N T 3 + 0 0 57 -2,-0.7 -1,-0.1 -11,-0.3 5,-0.1 0.476 68.1 79.2 -85.0 -3.7 15.6 58.9 1.5 34 34 A T T 3 S+ 0 0 80 1,-0.1 2,-0.5 5,-0.1 -1,-0.2 0.565 85.6 61.9 -83.2 -9.2 18.3 61.5 2.3 35 35 A R S X S- 0 0 47 -3,-0.6 3,-2.1 4,-0.1 -1,-0.1 -0.956 111.2 -62.0-124.8 119.2 20.7 60.5 -0.5 36 36 A G T 3 S- 0 0 30 -2,-0.5 3,-0.1 1,-0.3 62,-0.1 -0.166 111.8 -20.8 53.4-135.1 19.7 60.7 -4.2 37 37 A N T 3 S- 0 0 111 60,-1.2 -1,-0.3 1,-0.3 62,-0.2 0.038 119.9 -75.3 -94.9 26.2 16.9 58.4 -5.2 38 38 A G < - 0 0 2 -3,-2.1 62,-2.3 60,-0.1 2,-0.5 0.121 30.5-112.3 102.8 149.5 17.5 56.3 -2.1 39 39 A I E -Ef 32 100B 0 -7,-1.5 -7,-2.5 60,-0.2 2,-0.4 -0.990 36.8-170.7-116.4 121.8 19.7 53.7 -0.5 40 40 A F E -Ef 31 101B 22 60,-2.8 62,-2.2 -2,-0.5 2,-0.4 -0.973 7.7-164.4-124.9 129.4 18.0 50.4 -0.0 41 41 A T E - f 0 102B 0 -11,-2.3 14,-3.0 -2,-0.4 -11,-0.4 -0.948 9.9-166.9-122.1 137.5 19.2 47.3 1.9 42 42 A Y E -Gf 54 103B 26 60,-2.8 62,-2.4 -2,-0.4 2,-0.6 -0.798 21.8-123.8-125.6 155.1 17.8 43.8 1.6 43 43 A D E -Gf 53 104B 20 10,-2.7 10,-1.9 -2,-0.3 62,-0.2 -0.921 14.4-174.9-102.4 116.0 17.9 40.4 3.4 44 44 A A > - 0 0 4 60,-3.0 3,-2.0 -2,-0.6 5,-0.3 0.525 31.3-142.2 -86.4 -6.2 19.0 37.5 1.2 45 45 A K T 3 - 0 0 112 59,-0.4 61,-0.1 1,-0.3 60,-0.1 0.790 63.1 -56.0 53.6 38.6 18.2 35.2 4.1 46 46 A Y T 3 S+ 0 0 108 59,-2.8 -1,-0.3 1,-0.3 60,-0.2 0.513 117.2 104.4 77.1 8.2 21.2 32.8 3.4 47 47 A R S < S- 0 0 178 -3,-2.0 60,-2.1 58,-0.3 -1,-0.3 -0.495 73.7-125.2-112.2-177.2 20.1 32.2 -0.1 48 48 A T + 0 0 78 58,-0.2 2,-0.5 -2,-0.2 -3,-0.1 0.241 69.8 113.2-118.7 9.4 21.3 33.4 -3.5 49 49 A T - 0 0 106 -5,-0.3 -2,-0.2 2,-0.1 58,-0.1 -0.740 69.5-100.6 -83.0 128.4 18.1 34.8 -5.0 50 50 A L S S- 0 0 51 -2,-0.5 -2,-0.1 1,-0.2 71,-0.0 -0.846 80.9 -4.4-117.9 149.7 18.4 38.5 -5.3 51 51 A P S S- 0 0 46 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.997 80.1-166.5 -85.8 -2.7 17.8 41.0 -4.1 52 52 A G - 0 0 37 -8,-0.1 2,-0.4 -10,-0.1 -8,-0.2 -0.698 48.0 -27.8 89.8-153.7 15.7 39.3 -1.5 53 53 A S E -G 43 0B 46 -10,-1.9 -10,-2.7 -2,-0.3 -8,-0.1 -0.843 66.3-103.1-110.8 137.5 13.4 41.3 0.7 54 54 A L E -G 42 0B 30 -2,-0.4 -12,-0.3 -12,-0.2 2,-0.2 -0.249 53.8 -97.7 -53.9 130.9 13.7 45.0 1.6 55 55 A W - 0 0 11 -14,-3.0 -25,-1.9 -25,-0.3 2,-0.4 -0.384 48.1-175.4 -66.3 123.1 15.0 45.0 5.2 56 56 A A E -D 29 0A 41 -2,-0.2 2,-0.3 -27,-0.2 -27,-0.2 -0.943 7.0-179.2-120.6 136.6 12.1 45.5 7.7 57 57 A D E -D 28 0A 23 -29,-2.3 -29,-3.0 -2,-0.4 3,-0.1 -0.987 24.8-140.2-136.9 140.1 12.4 45.9 11.4 58 58 A A S S+ 0 0 73 -2,-0.3 -1,-0.1 -31,-0.2 -29,-0.1 0.815 95.5 23.3 -75.4 -28.5 9.6 46.4 13.9 59 59 A D S S- 0 0 84 2,-0.3 -1,-0.2 -31,-0.1 3,-0.1 0.345 96.6-114.5-125.6 7.1 11.1 49.0 16.3 60 60 A N S S+ 0 0 19 1,-0.2 -51,-1.7 -32,-0.2 2,-0.5 0.648 80.6 118.1 68.2 15.4 13.8 50.8 14.3 61 61 A Q E -b 9 0A 101 -53,-0.2 2,-0.4 -51,-0.0 -2,-0.3 -0.966 43.2-171.9-113.4 129.7 16.5 49.4 16.6 62 62 A F E +b 10 0A 0 -53,-3.1 -51,-1.9 -2,-0.5 9,-0.1 -0.525 40.8 121.0-122.5 65.0 19.1 47.2 15.0 63 63 A F + 0 0 53 -2,-0.4 -1,-0.2 -53,-0.3 2,-0.1 0.355 39.5 113.1-108.3 2.7 21.2 45.6 17.6 64 64 A A S >> S- 0 0 51 -3,-0.2 3,-1.1 1,-0.1 4,-1.0 -0.493 76.2-120.1 -71.2 147.9 20.6 41.9 16.9 65 65 A S G >4 S+ 0 0 117 1,-0.3 3,-0.6 2,-0.2 -1,-0.1 0.863 117.0 55.0 -47.9 -45.8 23.6 39.9 15.6 66 66 A Y G 34 S+ 0 0 69 1,-0.2 4,-0.4 2,-0.1 -1,-0.3 0.721 105.6 55.4 -62.7 -23.2 21.6 39.2 12.4 67 67 A D G X> S+ 0 0 17 -3,-1.1 4,-2.3 1,-0.2 3,-0.7 0.808 85.0 82.5 -79.6 -30.7 21.1 43.0 12.0 68 68 A A H S+ 0 0 5 0, 0.0 4,-2.1 0, 0.0 -1,-0.3 0.892 113.1 49.7 -63.8 -33.8 25.7 43.3 8.4 70 70 A A H <> S+ 0 0 0 -3,-0.7 4,-2.4 -4,-0.4 5,-0.3 0.898 107.6 54.9 -64.8 -44.5 22.6 45.2 7.2 71 71 A V H X S+ 0 0 0 -4,-2.3 4,-2.5 -60,-0.2 5,-0.2 0.937 113.2 40.8 -57.0 -46.1 23.5 48.1 9.4 72 72 A D H X S+ 0 0 0 -4,-2.1 4,-2.9 2,-0.2 5,-0.4 0.882 111.8 53.5 -76.6 -33.1 26.9 48.4 7.9 73 73 A A H X S+ 0 0 0 -4,-2.1 4,-1.5 -5,-0.2 -1,-0.2 0.933 115.8 42.1 -63.4 -39.5 26.0 47.8 4.3 74 74 A H H X S+ 0 0 3 -4,-2.4 4,-1.5 2,-0.2 -2,-0.2 0.939 118.0 44.6 -70.1 -50.8 23.4 50.6 4.6 75 75 A Y H X S+ 0 0 95 -4,-2.5 4,-1.9 -5,-0.3 -2,-0.2 0.930 114.7 46.9 -63.5 -48.2 25.6 53.0 6.5 76 76 A Y H X S+ 0 0 25 -4,-2.9 4,-2.7 1,-0.3 -1,-0.2 0.809 105.6 59.2 -73.2 -27.4 28.7 52.5 4.4 77 77 A A H X S+ 0 0 0 -4,-1.5 4,-2.5 -5,-0.4 -1,-0.3 0.913 107.7 48.6 -58.3 -38.0 26.8 52.9 1.2 78 78 A G H X S+ 0 0 0 -4,-1.5 4,-2.6 2,-0.2 -2,-0.2 0.907 110.2 49.9 -70.1 -37.9 25.8 56.3 2.5 79 79 A V H X S+ 0 0 14 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.929 111.9 47.9 -62.6 -46.2 29.4 57.2 3.4 80 80 A T H X S+ 0 0 4 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.905 110.8 51.8 -60.0 -42.5 30.5 56.1 -0.1 81 81 A Y H X S+ 0 0 16 -4,-2.5 4,-2.5 1,-0.2 5,-0.3 0.928 110.8 49.0 -56.8 -48.7 27.6 58.2 -1.6 82 82 A D H X S+ 0 0 40 -4,-2.6 4,-2.8 1,-0.2 5,-0.4 0.895 107.7 54.6 -61.7 -38.6 28.8 61.2 0.5 83 83 A Y H X>S+ 0 0 10 -4,-2.5 4,-2.5 1,-0.2 5,-0.6 0.962 112.1 42.2 -60.4 -52.0 32.4 60.7 -0.6 84 84 A Y H X5S+ 0 0 7 -4,-2.2 6,-2.7 3,-0.2 4,-1.2 0.873 118.8 44.9 -66.0 -36.4 31.6 60.8 -4.3 85 85 A K H X5S+ 0 0 89 -4,-2.5 4,-1.2 4,-0.3 -2,-0.2 0.961 120.9 36.1 -72.2 -49.3 29.2 63.7 -3.9 86 86 A N H <5S+ 0 0 96 -4,-2.8 -2,-0.2 -5,-0.3 -3,-0.2 0.841 128.5 33.0 -74.6 -32.8 31.2 65.9 -1.7 87 87 A V H <5S+ 0 0 53 -4,-2.5 -3,-0.2 -5,-0.4 -1,-0.2 0.822 135.5 18.2 -94.8 -34.6 34.6 65.2 -3.1 88 88 A H H < S- 0 0 5 -2,-1.1 3,-0.8 -11,-0.3 7,-0.1 -0.088 92.4 -55.2 64.5-170.7 25.6 58.2 -7.0 93 93 A Y T 3 S+ 0 0 24 5,-0.3 58,-0.2 1,-0.3 -1,-0.2 0.790 138.0 43.9 -77.6 -25.1 27.3 55.7 -9.3 94 94 A D T 3 S- 0 0 45 -3,-0.2 -1,-0.3 4,-0.1 -2,-0.2 0.441 109.4-117.0 -96.1 0.6 25.6 56.7 -12.5 95 95 A G S < S+ 0 0 33 -3,-0.8 -4,-0.4 -4,-0.3 -3,-0.2 0.403 103.0 81.1 80.8 -2.5 26.1 60.4 -11.9 96 96 A N S S- 0 0 124 -6,-0.1 -4,-0.2 -59,-0.0 -3,-0.1 -0.036 112.9 -96.0-125.9 33.1 22.3 60.8 -11.9 97 97 A N - 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0 0 68 -4,-0.4 15,-1.8 15,-0.4 2,-1.6 -0.619 21.9-159.0 -85.1 112.1 30.2 33.1 1.6 111 111 A N + 0 0 54 -2,-0.7 2,-0.3 -3,-0.2 -1,-0.1 -0.384 61.3 55.6 -87.4 58.5 33.7 34.6 1.7 112 112 A N - 0 0 68 -2,-1.6 11,-2.3 2,-0.0 2,-0.3 -0.988 55.9-148.6-176.7 164.2 33.1 37.5 -0.8 113 113 A A E +I 122 0B 2 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.966 26.4 169.1-142.4 150.4 31.2 40.6 -1.7 114 114 A F E -I 121 0B 45 7,-2.6 7,-2.0 -2,-0.3 2,-0.5 -0.991 39.2-116.9-165.4 156.4 30.5 41.9 -5.2 115 115 A W E -I 120 0B 24 -2,-0.3 5,-0.2 5,-0.2 -13,-0.0 -0.875 25.5-164.0 -91.6 120.7 28.6 44.2 -7.5 116 116 A N - 0 0 67 3,-2.7 4,-0.1 -2,-0.5 -1,-0.1 0.173 55.1 -85.8-101.1 20.4 26.5 42.1 -9.9 117 117 A G S S+ 0 0 47 2,-0.2 3,-0.1 1,-0.0 -2,-0.0 -0.089 125.3 35.3 103.5 -27.6 25.7 44.7 -12.5 118 118 A S S S+ 0 0 85 1,-0.4 -17,-0.3 -17,-0.0 2,-0.3 0.555 119.8 3.0-128.9 -21.1 22.8 46.1 -10.6 119 119 A Q S S- 0 0 14 -19,-0.1 -3,-2.7 -16,-0.0 -1,-0.4 -0.974 71.0 -87.3-165.5 166.8 23.4 46.0 -6.9 120 120 A M E -hI 102 115B 0 -19,-2.5 -17,-2.2 -2,-0.3 2,-0.4 -0.638 34.8-167.3 -84.9 139.8 25.8 45.2 -4.0 121 121 A V E -hI 103 114B 0 -7,-2.0 -7,-2.6 -2,-0.3 2,-0.5 -0.996 2.3-168.7-135.6 126.9 25.9 41.6 -2.6 122 122 A Y E - 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0 0 78 -2,-0.4 -9,-0.2 -9,-0.2 53,-0.1 -0.759 27.1-126.3 -88.5 118.9 57.6 62.7 -4.4 257 257 A G - 0 0 32 -2,-0.7 -12,-0.3 -11,-0.4 -11,-0.2 -0.305 23.0-172.8 -64.7 138.3 54.1 62.3 -2.8 258 258 A I - 0 0 26 -14,-3.3 4,-0.3 1,-0.2 -13,-0.2 0.459 47.0-107.0-111.5 -5.6 51.4 64.8 -3.6 259 259 A G > - 0 0 25 -14,-1.6 4,-1.8 -15,-0.5 -1,-0.2 -0.050 29.8 -78.0 96.9 160.6 48.8 63.5 -1.1 260 260 A R H > S+ 0 0 84 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.849 120.0 56.5 -67.0 -42.2 45.5 61.6 -1.2 261 261 A D H > S+ 0 0 142 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.952 111.4 43.4 -61.3 -45.1 43.2 64.3 -2.4 262 262 A K H > S+ 0 0 75 -4,-0.3 4,-3.0 2,-0.2 -1,-0.2 0.904 112.6 52.7 -66.8 -38.3 45.3 65.0 -5.5 263 263 A L H X S+ 0 0 0 -4,-1.8 4,-2.4 1,-0.2 -2,-0.2 0.929 112.2 48.0 -55.2 -45.7 45.7 61.3 -6.2 264 264 A G H X S+ 0 0 2 -4,-3.1 4,-2.2 2,-0.2 -2,-0.2 0.908 112.6 46.7 -62.6 -44.6 41.9 61.1 -5.9 265 265 A K H X S+ 0 0 94 -4,-2.7 4,-2.1 -5,-0.2 5,-0.2 0.924 113.7 48.2 -68.5 -39.4 41.3 64.0 -8.2 266 266 A I H X S+ 0 0 0 -4,-3.0 4,-2.0 1,-0.2 -2,-0.2 0.938 115.9 42.4 -65.9 -41.9 43.8 62.8 -10.8 267 267 A F H X S+ 0 0 1 -4,-2.4 4,-2.2 -5,-0.2 -1,-0.2 0.804 112.3 53.7 -77.3 -30.0 42.4 59.2 -10.9 268 268 A Y H X S+ 0 0 31 -4,-2.2 4,-2.1 -5,-0.2 -1,-0.2 0.911 111.8 45.9 -64.4 -46.4 38.8 60.4 -10.8 269 269 A R H X S+ 0 0 77 -4,-2.1 4,-1.9 -5,-0.2 5,-0.5 0.899 113.4 49.3 -63.3 -41.6 39.4 62.6 -13.8 270 270 A A H X>S+ 0 0 0 -4,-2.0 5,-2.6 -5,-0.2 4,-1.7 0.913 112.7 47.4 -63.1 -43.9 41.3 59.8 -15.6 271 271 A L H <5S+ 0 0 1 -4,-2.2 -118,-0.7 1,-0.2 -1,-0.2 0.836 120.3 37.3 -64.8 -39.6 38.5 57.3 -15.0 272 272 A T H <5S+ 0 0 35 -4,-2.1 -2,-0.2 -120,-0.1 -1,-0.2 0.587 129.7 23.9 -95.6 -12.4 35.7 59.7 -16.1 273 273 A Q H <5S+ 0 0 112 -4,-1.9 -3,-0.2 -5,-0.2 -2,-0.2 0.671 128.2 21.2-127.2 -17.3 37.4 61.5 -19.0 274 274 A Y T <5S+ 0 0 83 -4,-1.7 -3,-0.2 -5,-0.5 -4,-0.1 0.701 90.9 90.6-126.7 -30.9 40.2 59.5 -20.6 275 275 A L < - 0 0 13 -5,-2.6 9,-0.0 12,-0.1 -120,-0.0 -0.378 50.9-167.7 -78.0 154.7 40.0 55.8 -19.9 276 276 A T > - 0 0 56 -2,-0.1 3,-1.6 -122,-0.1 -123,-0.1 -0.776 40.1 -88.8-130.6 168.1 38.1 53.4 -22.2 277 277 A P T 3 S+ 0 0 59 0, 0.0 -121,-2.4 0, 0.0 -123,-0.1 0.805 125.1 36.9 -54.4 -31.2 36.9 49.7 -22.0 278 278 A T T 3 S+ 0 0 101 -123,-0.2 -117,-0.1 -125,-0.1 -118,-0.1 0.256 80.5 145.9-110.3 16.9 40.2 48.4 -23.4 279 279 A S < - 0 0 4 -3,-1.6 -115,-0.2 -126,-0.1 2,-0.1 -0.313 32.8-154.2 -54.6 133.1 42.7 50.7 -21.8 280 280 A N > - 0 0 60 -119,-0.1 4,-2.2 -120,-0.1 5,-0.2 -0.408 34.2 -90.7 -97.1 179.6 46.0 49.1 -20.9 281 281 A F H > S+ 0 0 2 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.914 127.0 50.7 -58.9 -45.0 48.6 50.1 -18.3 282 282 A S H > S+ 0 0 56 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.883 110.8 50.7 -61.6 -32.6 50.5 52.3 -20.6 283 283 A Q H > S+ 0 0 87 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.855 106.2 54.7 -75.1 -31.3 47.3 54.0 -21.6 284 284 A L H X S+ 0 0 0 -4,-2.2 4,-2.9 2,-0.2 5,-0.2 0.918 105.8 53.2 -62.8 -43.2 46.4 54.5 -17.9 285 285 A R H X S+ 0 0 30 -4,-2.4 4,-2.9 1,-0.2 5,-0.2 0.955 110.2 46.3 -58.1 -48.6 49.8 56.3 -17.4 286 286 A A H X S+ 0 0 59 -4,-1.9 4,-2.9 1,-0.2 -1,-0.2 0.910 112.2 50.5 -61.1 -43.3 49.0 58.7 -20.2 287 287 A A H X S+ 0 0 8 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.914 112.2 48.5 -58.9 -43.0 45.5 59.3 -18.9 288 288 A A H X S+ 0 0 0 -4,-2.9 4,-2.4 2,-0.2 5,-0.2 0.915 112.7 46.2 -64.8 -43.2 46.9 60.0 -15.5 289 289 A V H X S+ 0 0 22 -4,-2.9 4,-2.5 -5,-0.2 -2,-0.2 0.939 114.2 49.0 -63.8 -42.9 49.6 62.4 -16.8 290 290 A Q H X S+ 0 0 82 -4,-2.9 4,-2.3 -5,-0.2 -2,-0.2 0.892 111.0 50.2 -64.5 -38.4 47.0 64.1 -18.9 291 291 A S H X S+ 0 0 0 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.893 111.0 47.6 -66.3 -40.5 44.6 64.4 -16.0 292 292 A A H X>S+ 0 0 0 -4,-2.4 4,-3.0 1,-0.2 5,-0.6 0.887 110.7 53.6 -72.3 -31.8 47.3 65.9 -13.7 293 293 A T H X5S+ 0 0 38 -4,-2.5 4,-2.5 -5,-0.2 -2,-0.2 0.965 108.2 49.4 -58.3 -51.7 48.2 68.3 -16.5 294 294 A D H <5S+ 0 0 60 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.922 120.0 37.3 -50.2 -50.6 44.6 69.4 -16.8 295 295 A L H <5S+ 0 0 57 -4,-2.1 -1,-0.2 1,-0.1 -2,-0.2 0.803 136.4 11.8 -77.2 -36.8 44.3 69.9 -13.0 296 296 A Y H <5S- 0 0 70 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.485 106.0-100.3-127.1 -10.4 47.8 71.3 -12.1 297 297 A G ><< - 0 0 28 -4,-2.5 3,-2.4 -5,-0.6 6,-0.4 0.211 35.7 -81.5 94.7 145.0 49.6 72.3 -15.3 298 298 A S T 3 S+ 0 0 90 1,-0.3 -1,-0.1 -5,-0.1 -5,-0.1 0.675 127.8 46.0 -45.1 -31.1 52.3 70.7 -17.5 299 299 A T T 3 S+ 0 0 136 -3,-0.1 -1,-0.3 -6,-0.1 -2,-0.1 0.322 86.5 124.9-102.7 2.9 55.1 71.9 -15.1 300 300 A S S <> S- 0 0 15 -3,-2.4 4,-1.4 1,-0.1 5,-0.1 -0.232 70.6-125.3 -65.3 155.0 53.5 70.9 -11.9 301 301 A Q H > S+ 0 0 101 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.898 112.5 63.3 -53.1 -45.6 55.1 68.7 -9.3 302 302 A E H > S+ 0 0 23 1,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.890 101.6 46.0 -51.1 -54.5 51.9 66.7 -9.6 303 303 A V H > S+ 0 0 6 -6,-0.4 4,-1.9 -11,-0.2 -1,-0.3 0.893 113.8 50.6 -59.0 -37.2 52.6 65.8 -13.2 304 304 A A H X S+ 0 0 42 -4,-1.4 4,-2.4 1,-0.2 -2,-0.2 0.883 108.8 51.0 -68.7 -37.8 56.2 64.9 -12.4 305 305 A S H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 5,-0.2 0.889 106.7 54.2 -67.5 -41.2 55.2 62.7 -9.5 306 306 A V H X S+ 0 0 0 -4,-2.3 4,-2.0 -5,-0.2 5,-0.2 0.946 110.5 45.8 -58.3 -47.1 52.7 60.8 -11.7 307 307 A K H X S+ 0 0 92 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.921 112.6 50.8 -65.0 -41.5 55.5 60.1 -14.2 308 308 A Q H X S+ 0 0 68 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.895 108.4 53.4 -57.1 -43.8 57.9 59.1 -11.5 309 309 A A H X S+ 0 0 0 -4,-2.7 4,-1.0 1,-0.2 -1,-0.2 0.906 112.5 41.6 -63.9 -41.2 55.3 56.7 -10.0 310 310 A F H <>S+ 0 0 0 -4,-2.0 5,-2.7 -5,-0.2 3,-0.4 0.887 112.6 55.0 -76.1 -33.5 54.7 54.9 -13.2 311 311 A D H ><5S+ 0 0 76 -4,-2.5 3,-2.0 -5,-0.2 -2,-0.2 0.949 104.4 56.0 -55.9 -47.0 58.4 54.8 -14.0 312 312 A A H 3<5S+ 0 0 0 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.761 109.4 44.5 -60.6 -29.3 59.0 53.2 -10.6 313 313 A V T 3<5S- 0 0 0 -4,-1.0 -96,-2.1 -3,-0.4 -1,-0.3 0.193 118.6-107.9-103.0 16.5 56.6 50.3 -11.4 314 314 A G T < 5S+ 0 0 30 -3,-2.0 2,-0.6 1,-0.2 -3,-0.2 0.693 73.4 137.2 74.2 20.7 58.0 49.8 -14.9 315 315 A V < 0 0 4 -5,-2.7 -1,-0.2 -6,-0.1 -2,-0.2 -0.880 360.0 360.0-107.4 116.3 55.0 51.2 -16.8 316 316 A K 0 0 100 -2,-0.6 -31,-0.2 -3,-0.1 -30,-0.1 -0.742 360.0 360.0-107.5 360.0 55.8 53.5 -19.7