==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-JUL-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 29-JUL-11 3T74 . COMPND 2 MOLECULE: THERMOLYSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS THERMOPROTEOLYTICUS; . AUTHOR 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) . 12642.0 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 . 19 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 9.2 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 92 0, 0.0 2,-0.5 0, 0.0 23,-0.0 0.000 360.0 360.0 360.0 155.9 38.2 -28.5 0.4 2 2 A T + 0 0 130 21,-0.0 2,-0.3 23,-0.0 21,-0.0 -0.720 360.0 104.6 -83.0 128.6 40.3 -25.4 -0.4 3 3 A G - 0 0 41 -2,-0.5 2,-0.4 23,-0.0 22,-0.2 -0.955 67.8 -65.9-176.4-165.9 39.9 -24.3 -4.0 4 4 A T E -A 24 0A 89 20,-2.0 20,-2.9 -2,-0.3 2,-0.3 -0.859 49.1-107.5-111.7 142.6 38.4 -21.7 -6.3 5 5 A S E +A 23 0A 70 -2,-0.4 18,-0.2 18,-0.2 2,-0.2 -0.490 45.8 171.2 -69.9 133.3 34.7 -21.3 -6.9 6 6 A T E -A 22 0A 30 16,-2.7 16,-2.4 -2,-0.3 2,-0.5 -0.764 30.7-123.7-136.5 171.7 33.5 -22.5 -10.3 7 7 A V E -A 21 0A 88 -2,-0.2 14,-0.2 14,-0.2 2,-0.2 -0.967 27.5-176.2-129.4 111.0 30.3 -23.0 -12.2 8 8 A G E -A 20 0A 1 12,-2.9 12,-2.3 -2,-0.5 2,-0.3 -0.447 12.9-141.5 -95.0 175.0 29.5 -26.4 -13.6 9 9 A V E +Ab 19 61A 24 51,-1.7 53,-3.0 10,-0.3 2,-0.3 -0.991 31.3 135.2-139.7 145.4 26.6 -27.5 -15.7 10 10 A G E -Ab 18 62A 0 8,-2.3 8,-2.4 -2,-0.3 2,-0.4 -0.926 44.8 -90.2-165.7-167.8 24.6 -30.8 -15.8 11 11 A R E -A 17 0A 97 51,-2.2 60,-0.3 -2,-0.3 6,-0.2 -0.969 31.5-138.4-129.4 138.6 21.3 -32.4 -15.9 12 12 A G > - 0 0 3 4,-2.5 3,-2.0 -2,-0.4 56,-0.2 -0.162 40.9 -80.8 -84.2-176.2 19.0 -33.4 -13.1 13 13 A V T 3 S+ 0 0 31 55,-0.6 55,-0.1 1,-0.3 122,-0.1 0.821 128.8 49.6 -56.7 -36.9 16.9 -36.5 -12.4 14 14 A L T 3 S- 0 0 86 54,-0.1 -1,-0.3 121,-0.1 178,-0.0 0.344 122.4-101.9 -90.7 8.7 14.1 -35.3 -14.6 15 15 A G S < S+ 0 0 36 -3,-2.0 2,-0.3 1,-0.3 -2,-0.1 0.538 74.6 140.3 90.3 6.8 16.4 -34.4 -17.6 16 16 A D - 0 0 53 1,-0.0 -4,-2.5 -5,-0.0 2,-0.3 -0.649 49.1-126.4 -90.1 139.8 16.6 -30.7 -17.0 17 17 A Q E +A 11 0A 118 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.2 -0.631 36.6 163.4 -84.3 136.4 19.8 -28.7 -17.5 18 18 A K E -A 10 0A 17 -8,-2.4 -8,-2.3 -2,-0.3 2,-0.3 -0.991 36.1-115.9-148.2 155.9 21.0 -26.5 -14.7 19 19 A N E -A 9 0A 102 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.3 -0.704 31.2-162.8 -86.0 145.5 24.2 -24.7 -13.5 20 20 A I E -A 8 0A 3 -12,-2.3 -12,-2.9 -2,-0.3 2,-0.5 -0.985 21.4-117.8-132.0 144.5 25.7 -25.8 -10.3 21 21 A N E +A 7 0A 41 -2,-0.4 -14,-0.2 -14,-0.2 2,-0.2 -0.697 44.3 169.0 -82.5 122.8 28.3 -24.1 -8.0 22 22 A T E -A 6 0A 1 -16,-2.4 -16,-2.7 -2,-0.5 2,-0.4 -0.646 29.8-127.1-125.9 176.8 31.4 -26.2 -7.7 23 23 A T E -AC 5 29A 0 6,-1.8 6,-3.0 -18,-0.2 2,-0.5 -0.998 18.3-144.1-132.0 131.1 35.0 -25.9 -6.4 24 24 A Y E +AC 4 28A 95 -20,-2.9 -20,-2.0 -2,-0.4 4,-0.2 -0.850 40.2 135.8-103.8 124.1 38.1 -26.6 -8.4 25 25 A S S S- 0 0 41 2,-2.7 2,-2.5 -2,-0.5 -2,-0.0 -0.600 96.0 -46.3-158.7 94.2 41.2 -28.1 -6.9 26 26 A T S S+ 0 0 110 -2,-0.1 2,-0.2 32,-0.0 -2,-0.1 -0.385 140.2 36.5 69.9 -59.0 42.5 -30.8 -9.3 27 27 A Y S S- 0 0 114 -2,-2.5 -2,-2.7 -4,-0.1 2,-0.6 -0.697 93.3-110.5-103.8 166.4 39.0 -32.1 -9.6 28 28 A Y E -CD 24 57A 57 29,-2.9 29,-2.2 -2,-0.2 2,-0.3 -0.912 40.2-160.6 -95.6 121.1 35.7 -30.1 -9.6 29 29 A Y E -CD 23 56A 41 -6,-3.0 2,-2.1 -2,-0.6 -6,-1.8 -0.779 29.2-113.8-105.8 147.1 33.8 -30.9 -6.4 30 30 A L S S+ 0 0 0 25,-2.0 11,-2.4 11,-0.3 2,-0.4 -0.567 72.5 129.1 -76.2 78.7 30.2 -30.4 -5.5 31 31 A Q E -E 40 0B 9 -2,-2.1 2,-0.7 9,-0.2 9,-0.2 -0.949 44.2-160.6-140.5 108.8 31.0 -27.7 -3.1 32 32 A D E > +E 39 0B 2 7,-2.8 7,-1.4 -2,-0.4 3,-0.5 -0.869 11.0 179.2 -96.9 109.2 29.1 -24.5 -3.4 33 33 A N T 3 + 0 0 56 -2,-0.7 -1,-0.1 -11,-0.3 5,-0.1 0.447 66.6 81.8 -89.4 -0.5 30.9 -21.7 -1.6 34 34 A T T 3 S+ 0 0 86 1,-0.1 2,-0.5 5,-0.1 -1,-0.2 0.560 85.1 61.5 -83.4 -10.2 28.4 -19.0 -2.5 35 35 A R S X S- 0 0 47 -3,-0.5 3,-2.4 4,-0.1 -1,-0.1 -0.969 112.1 -62.0-126.4 114.9 26.0 -19.9 0.3 36 36 A G T 3 S- 0 0 30 -2,-0.5 3,-0.1 1,-0.3 62,-0.1 -0.164 112.1 -21.5 55.7-135.8 26.9 -19.7 4.0 37 37 A N T 3 S- 0 0 111 60,-1.1 -1,-0.3 1,-0.3 62,-0.2 0.033 118.9 -76.4 -97.0 26.8 29.7 -22.0 5.0 38 38 A G < - 0 0 1 -3,-2.4 62,-2.4 60,-0.1 2,-0.4 0.053 29.4-112.4 106.3 155.6 29.1 -24.1 2.0 39 39 A I E -Ef 32 100B 1 -7,-1.4 -7,-2.8 60,-0.2 2,-0.4 -0.998 35.5-169.7-120.7 127.2 26.8 -26.8 0.5 40 40 A F E -Ef 31 101B 21 60,-3.1 62,-2.1 -2,-0.4 2,-0.4 -0.980 7.7-162.7-127.3 129.5 28.6 -30.1 0.0 41 41 A T E - f 0 102B 0 -11,-2.4 14,-2.7 -2,-0.4 -11,-0.3 -0.949 11.8-165.3-121.4 134.1 27.3 -33.1 -1.9 42 42 A Y E -Gf 54 103B 26 60,-2.9 62,-2.4 -2,-0.4 2,-0.6 -0.805 20.5-125.9-121.2 153.7 28.7 -36.6 -1.5 43 43 A D E -Gf 53 104B 23 10,-2.8 10,-2.0 -2,-0.3 62,-0.2 -0.893 14.7-173.9 -99.9 115.9 28.6 -40.0 -3.2 44 44 A A > - 0 0 4 60,-2.7 3,-2.3 -2,-0.6 5,-0.3 0.503 30.9-140.6 -86.7 -6.0 27.5 -42.9 -1.0 45 45 A K T 3 - 0 0 103 59,-0.3 61,-0.1 1,-0.3 60,-0.1 0.772 62.3 -59.2 59.7 33.6 28.3 -45.3 -3.8 46 46 A Y T 3 S+ 0 0 108 59,-2.5 -1,-0.3 1,-0.3 60,-0.2 0.493 116.9 106.7 71.1 8.6 25.2 -47.6 -3.2 47 47 A R S < S- 0 0 173 -3,-2.3 60,-2.2 58,-0.3 -1,-0.3 -0.422 73.5-125.6-107.9-176.9 26.5 -48.3 0.3 48 48 A T + 0 0 78 58,-0.2 2,-0.4 -2,-0.1 -3,-0.1 0.308 69.4 112.1-118.5 7.9 25.3 -47.1 3.7 49 49 A T S S- 0 0 96 -5,-0.3 -2,-0.1 2,-0.1 58,-0.1 -0.681 70.6-101.1 -82.6 132.5 28.4 -45.6 5.2 50 50 A L S S- 0 0 54 -2,-0.4 -2,-0.1 1,-0.2 -6,-0.0 -0.906 81.7 -3.1-120.5 147.3 28.0 -41.8 5.5 51 51 A P S S- 0 0 44 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.993 80.4-169.0 -82.2 -11.6 28.7 -39.3 4.2 52 52 A G - 0 0 33 -8,-0.1 2,-0.4 -10,-0.1 -8,-0.2 -0.720 48.5 -22.2 90.8-149.7 30.8 -41.1 1.6 53 53 A S E -G 43 0B 50 -10,-2.0 -10,-2.8 -2,-0.3 -8,-0.1 -0.816 66.4-107.7-105.5 134.2 33.1 -39.2 -0.7 54 54 A L E -G 42 0B 37 -2,-0.4 -12,-0.3 -12,-0.2 2,-0.2 -0.350 55.1 -96.4 -54.6 131.8 32.8 -35.5 -1.5 55 55 A W - 0 0 10 -14,-2.7 -25,-2.0 -25,-0.3 2,-0.4 -0.362 48.5-171.5 -67.5 121.6 31.6 -35.6 -5.1 56 56 A A E -D 29 0A 46 -2,-0.2 2,-0.4 -27,-0.2 -27,-0.2 -0.913 7.4-179.8-116.3 137.6 34.5 -35.2 -7.5 57 57 A D E -D 28 0A 22 -29,-2.2 -29,-2.9 -2,-0.4 3,-0.1 -0.998 24.4-142.5-140.3 138.5 34.3 -34.7 -11.3 58 58 A A S S+ 0 0 75 -2,-0.4 -1,-0.1 -31,-0.2 -29,-0.1 0.820 94.5 22.7 -72.4 -32.0 37.0 -34.3 -13.8 59 59 A D S S- 0 0 93 2,-0.3 -1,-0.2 -31,-0.1 3,-0.1 0.399 95.7-113.9-125.1 3.5 35.5 -31.8 -16.2 60 60 A N S S+ 0 0 12 1,-0.2 -51,-1.7 -32,-0.2 2,-0.4 0.645 80.9 117.4 68.7 15.7 32.8 -29.8 -14.4 61 61 A Q E -b 9 0A 77 -53,-0.2 -2,-0.3 -51,-0.0 2,-0.2 -0.968 43.7-172.0-115.4 130.6 30.1 -31.3 -16.6 62 62 A F E +b 10 0A 0 -53,-3.0 -51,-2.2 -2,-0.4 9,-0.1 -0.494 40.8 121.9-127.0 61.9 27.5 -33.4 -14.9 63 63 A F + 0 0 79 -53,-0.3 2,-0.2 -2,-0.2 -1,-0.1 0.327 40.1 111.0-106.6 1.8 25.4 -35.1 -17.7 64 64 A A S >> S- 0 0 49 -3,-0.2 3,-1.0 1,-0.1 4,-0.9 -0.495 76.8-120.2 -75.0 151.0 25.9 -38.7 -16.8 65 65 A S G >4 S+ 0 0 116 1,-0.3 3,-1.0 2,-0.2 -1,-0.1 0.910 116.0 55.6 -54.3 -43.1 23.0 -40.7 -15.5 66 66 A Y G 34 S+ 0 0 69 1,-0.3 4,-0.4 2,-0.1 -1,-0.3 0.777 104.5 55.1 -62.6 -26.7 24.9 -41.4 -12.3 67 67 A D G X> S+ 0 0 18 -3,-1.0 4,-2.4 1,-0.2 3,-0.7 0.740 85.2 84.8 -75.9 -26.2 25.4 -37.6 -11.8 68 68 A A H S+ 0 0 4 0, 0.0 4,-2.2 0, 0.0 -1,-0.3 0.865 113.8 50.1 -65.9 -30.7 20.8 -37.3 -8.3 70 70 A A H <> S+ 0 0 0 -3,-0.7 4,-2.4 -4,-0.4 5,-0.3 0.917 107.1 53.8 -70.7 -44.9 23.9 -35.3 -7.1 71 71 A V H X S+ 0 0 0 -4,-2.4 4,-2.7 -60,-0.3 5,-0.2 0.935 114.4 41.6 -52.1 -49.6 23.1 -32.4 -9.4 72 72 A D H X S+ 0 0 0 -4,-2.0 4,-2.8 2,-0.2 5,-0.4 0.892 112.2 52.1 -73.7 -39.6 19.6 -32.1 -8.0 73 73 A A H X S+ 0 0 0 -4,-2.2 4,-1.5 -5,-0.2 -1,-0.2 0.930 116.5 42.7 -57.7 -43.4 20.5 -32.6 -4.3 74 74 A H H X S+ 0 0 3 -4,-2.4 4,-1.5 2,-0.2 -2,-0.2 0.948 118.3 42.9 -68.2 -50.8 23.2 -29.9 -4.7 75 75 A Y H X S+ 0 0 83 -4,-2.7 4,-1.9 -5,-0.3 -2,-0.2 0.918 115.2 47.5 -65.8 -46.9 21.0 -27.5 -6.6 76 76 A Y H X S+ 0 0 21 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.823 105.9 58.3 -71.9 -26.7 17.9 -27.9 -4.6 77 77 A A H X S+ 0 0 0 -4,-1.5 4,-2.5 -5,-0.4 -1,-0.2 0.903 106.8 51.4 -61.9 -38.6 19.8 -27.5 -1.3 78 78 A G H X S+ 0 0 0 -4,-1.5 4,-2.4 2,-0.2 -2,-0.2 0.917 108.9 48.6 -62.2 -44.3 20.8 -24.1 -2.7 79 79 A V H X S+ 0 0 14 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.914 112.1 49.5 -61.9 -42.1 17.3 -23.1 -3.5 80 80 A T H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 5,-0.2 0.917 109.7 50.8 -65.6 -41.9 16.2 -24.2 -0.0 81 81 A Y H X S+ 0 0 13 -4,-2.5 4,-2.4 1,-0.2 11,-0.2 0.927 110.7 50.3 -57.0 -45.5 19.0 -22.2 1.6 82 82 A D H X S+ 0 0 38 -4,-2.4 4,-3.0 1,-0.2 5,-0.4 0.890 108.2 52.8 -63.3 -41.1 17.9 -19.2 -0.5 83 83 A Y H X>S+ 0 0 10 -4,-2.3 4,-2.6 2,-0.2 5,-0.8 0.962 112.0 43.8 -57.4 -54.8 14.3 -19.6 0.6 84 84 A Y H X5S+ 0 0 4 -4,-2.4 6,-2.4 3,-0.2 4,-1.2 0.912 119.7 42.7 -61.8 -39.6 15.2 -19.6 4.3 85 85 A K H X5S+ 0 0 88 -4,-2.4 4,-1.1 4,-0.3 -2,-0.2 0.951 122.1 36.7 -70.3 -50.0 17.6 -16.7 4.0 86 86 A N H <5S+ 0 0 98 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.848 128.2 32.2 -75.6 -35.5 15.6 -14.5 1.7 87 87 A V H <5S+ 0 0 48 -4,-2.6 -3,-0.2 -5,-0.4 -2,-0.2 0.863 136.0 19.3 -91.8 -39.3 12.1 -15.2 3.1 88 88 A H H < - 0 0 54 -2,-0.5 6,-2.5 4,-0.3 4,-0.6 -0.802 63.4 -45.2 -96.2 101.7 21.1 -18.5 7.7 92 92 A S T >4 S- 0 0 6 -2,-0.9 3,-0.7 -11,-0.2 7,-0.1 -0.024 92.6 -54.8 59.7-173.5 21.2 -22.3 7.0 93 93 A Y T 34 S+ 0 0 18 5,-0.3 58,-0.2 1,-0.2 -1,-0.2 0.799 138.7 43.4 -71.9 -27.5 19.5 -24.8 9.3 94 94 A D T 34 S- 0 0 47 -3,-0.2 -1,-0.2 4,-0.1 -2,-0.2 0.440 108.7-117.3 -94.8 -3.2 21.1 -23.7 12.5 95 95 A G S << S+ 0 0 34 -3,-0.7 -4,-0.3 -4,-0.6 -3,-0.2 0.472 102.5 79.4 79.7 1.6 20.8 -19.9 11.9 96 96 A N S S- 0 0 127 -5,-0.2 -4,-0.2 -6,-0.1 -3,-0.1 -0.054 114.0 -94.7-132.1 31.2 24.6 -19.5 11.8 97 97 A N - 0 0 34 -6,-2.5 -60,-1.1 1,-0.2 -5,-0.2 0.801 53.4-172.5 62.4 36.0 25.4 -20.7 8.3 98 98 A A - 0 0 20 -7,-0.5 -5,-0.3 1,-0.1 -1,-0.2 -0.266 36.2 -96.6 -51.8 140.2 26.2 -24.4 9.2 99 99 A A - 0 0 17 -62,-0.2 2,-0.6 -63,-0.1 -60,-0.2 -0.357 37.1-135.4 -56.7 137.5 27.6 -26.3 6.2 100 100 A I E -f 39 0B 1 -62,-2.4 -60,-3.1 -3,-0.1 2,-0.4 -0.904 24.1-171.1-105.2 119.9 24.9 -28.2 4.5 101 101 A R E +f 40 0B 89 -2,-0.6 19,-2.7 17,-0.3 2,-0.3 -0.931 7.9 176.6-118.1 136.5 25.8 -31.8 3.6 102 102 A S E -fh 41 120B 0 -62,-2.1 -60,-2.9 -2,-0.4 2,-0.4 -0.995 13.0-157.3-134.1 143.5 23.9 -34.3 1.4 103 103 A S E -fh 42 121B 0 17,-2.1 19,-2.5 -2,-0.3 3,-0.2 -0.973 11.9-170.0-118.8 137.4 24.7 -37.8 0.3 104 104 A V E +f 43 0B 1 -62,-2.4 -60,-2.7 -2,-0.4 -59,-0.3 -0.669 64.0 45.6-116.6 174.4 23.1 -39.5 -2.8 105 105 A H E S+ 0 0 8 17,-0.3 -59,-2.5 -2,-0.2 2,-0.5 0.867 74.9 176.8 55.3 40.2 23.2 -43.0 -4.1 106 106 A Y E - 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0 0 72 -2,-0.4 -9,-0.2 -9,-0.2 53,-0.1 -0.795 28.7-128.2 -86.1 117.7 -10.9 -17.5 4.2 257 257 A G - 0 0 33 -2,-0.7 -12,-0.2 -11,-0.3 -11,-0.2 -0.395 23.8-174.2 -68.2 143.6 -7.5 -18.0 2.6 258 258 A I - 0 0 26 -14,-2.7 4,-0.4 1,-0.2 -13,-0.2 0.393 45.8-108.4-117.6 -1.5 -4.7 -15.6 3.3 259 259 A G > - 0 0 25 -14,-2.2 4,-2.0 -15,-0.4 -1,-0.2 0.031 30.0 -75.7 93.5 163.7 -2.1 -16.9 0.9 260 260 A R H > S+ 0 0 94 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.840 120.0 57.1 -67.2 -40.5 1.2 -18.7 1.0 261 261 A D H > S+ 0 0 134 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.925 111.0 43.4 -62.4 -44.3 3.5 -16.0 2.2 262 262 A K H > S+ 0 0 77 -4,-0.4 4,-2.7 2,-0.2 5,-0.2 0.898 111.0 55.3 -71.0 -36.5 1.4 -15.3 5.3 263 263 A L H X S+ 0 0 0 -4,-2.0 4,-2.7 1,-0.2 5,-0.3 0.956 110.3 47.2 -54.1 -50.0 1.1 -19.1 6.0 264 264 A G H X S+ 0 0 3 -4,-2.7 4,-2.5 1,-0.2 5,-0.2 0.890 111.6 49.2 -61.7 -40.8 4.9 -19.3 5.9 265 265 A K H X S+ 0 0 88 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.924 113.1 47.5 -64.6 -43.2 5.4 -16.3 8.2 266 266 A I H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.946 116.8 41.3 -64.0 -48.4 2.9 -17.7 10.7 267 267 A F H X S+ 0 0 0 -4,-2.7 4,-2.6 -5,-0.2 -1,-0.2 0.856 112.5 54.0 -72.5 -32.6 4.3 -21.2 10.7 268 268 A Y H X S+ 0 0 31 -4,-2.5 4,-2.0 -5,-0.3 -1,-0.2 0.932 111.8 46.0 -65.4 -43.6 7.9 -20.1 10.7 269 269 A R H X>S+ 0 0 82 -4,-2.1 4,-2.3 -5,-0.2 5,-0.6 0.923 112.7 50.0 -63.9 -42.2 7.2 -17.9 13.7 270 270 A A H X>S+ 0 0 0 -4,-2.3 5,-2.8 1,-0.2 4,-1.8 0.948 112.4 48.1 -59.5 -46.9 5.4 -20.7 15.5 271 271 A L H <5S+ 0 0 1 -4,-2.6 -118,-0.4 1,-0.2 -1,-0.2 0.861 121.5 33.9 -61.1 -39.2 8.2 -23.1 14.8 272 272 A T H <5S+ 0 0 39 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.656 130.1 26.6 -98.7 -16.6 10.9 -20.8 16.0 273 273 A Q H <5S+ 0 0 116 -4,-2.3 -3,-0.2 -5,-0.2 -2,-0.2 0.607 129.6 18.9-119.3 -22.3 9.3 -18.9 18.9 274 274 A Y T < - 0 0 62 -122,-0.1 3,-1.5 -120,-0.0 -120,-0.1 -0.762 41.2 -88.0-129.8 177.1 8.6 -27.1 21.9 277 277 A P T 3 S+ 0 0 61 0, 0.0 -121,-2.6 0, 0.0 -123,-0.1 0.810 125.9 40.3 -61.5 -26.9 9.8 -30.7 21.7 278 278 A T T 3 S+ 0 0 94 -123,-0.2 -117,-0.1 -125,-0.1 -118,-0.1 0.275 79.9 143.2-106.7 10.3 6.5 -32.0 23.2 279 279 A S < - 0 0 5 -3,-1.5 -115,-0.2 -126,-0.1 2,-0.2 -0.237 32.5-158.1 -54.3 135.1 4.0 -29.7 21.5 280 280 A N > - 0 0 62 -120,-0.1 4,-2.2 -119,-0.1 5,-0.2 -0.445 36.9 -89.2-102.5-179.0 0.7 -31.4 20.6 281 281 A F H > S+ 0 0 2 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.890 126.8 51.8 -62.7 -39.7 -1.8 -30.4 17.9 282 282 A S H > S+ 0 0 56 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.897 110.6 49.5 -61.5 -40.8 -3.8 -28.2 20.4 283 283 A Q H > S+ 0 0 94 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.839 107.3 54.6 -69.6 -31.8 -0.6 -26.4 21.3 284 284 A L H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 5,-0.3 0.931 106.1 52.2 -64.6 -43.6 0.3 -25.9 17.7 285 285 A R H X S+ 0 0 30 -4,-2.3 4,-2.6 1,-0.2 5,-0.2 0.954 111.3 46.9 -56.0 -47.5 -3.1 -24.2 17.2 286 286 A A H X S+ 0 0 60 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.900 112.4 49.9 -62.9 -41.0 -2.3 -21.9 20.1 287 287 A A H X S+ 0 0 8 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.894 112.1 47.6 -62.8 -42.1 1.2 -21.2 18.7 288 288 A A H X S+ 0 0 0 -4,-2.8 4,-2.6 2,-0.2 -2,-0.2 0.897 112.1 49.5 -67.5 -41.6 -0.2 -20.4 15.3 289 289 A V H X S+ 0 0 29 -4,-2.6 4,-2.1 -5,-0.3 -2,-0.2 0.937 113.7 46.0 -62.4 -44.3 -2.8 -18.1 16.7 290 290 A Q H X S+ 0 0 85 -4,-2.5 4,-2.6 -5,-0.2 -2,-0.2 0.919 112.2 51.3 -66.0 -40.7 -0.3 -16.3 18.8 291 291 A S H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.926 111.3 46.7 -62.3 -45.1 2.1 -16.0 15.9 292 292 A A H X>S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 5,-0.6 0.864 111.2 53.2 -63.5 -35.9 -0.6 -14.6 13.6 293 293 A T H X5S+ 0 0 38 -4,-2.1 4,-1.7 3,-0.2 -2,-0.2 0.928 109.3 48.8 -63.8 -44.8 -1.5 -12.2 16.5 294 294 A D H <5S+ 0 0 62 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.905 120.0 37.0 -59.1 -44.0 2.1 -11.0 16.7 295 295 A L H <5S+ 0 0 66 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.840 135.9 12.6 -81.5 -32.9 2.4 -10.5 13.0 296 296 A Y H <5S- 0 0 68 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.508 106.6 -97.6-129.9 -13.7 -1.0 -9.1 12.0 297 297 A G ><< - 0 0 29 -4,-1.7 3,-1.8 -5,-0.6 6,-0.4 0.095 32.7 -88.3 102.2 147.8 -3.0 -8.2 15.2 298 298 A S T 3 S+ 0 0 83 1,-0.3 -1,-0.1 -5,-0.2 -5,-0.1 0.787 125.2 47.2 -62.1 -30.0 -5.6 -9.9 17.3 299 299 A T T 3 S+ 0 0 139 -6,-0.1 -1,-0.3 -3,-0.1 -2,-0.1 0.326 90.6 123.0 -93.2 9.6 -8.5 -8.5 15.2 300 300 A S S <> S- 0 0 15 -3,-1.8 4,-2.0 1,-0.1 5,-0.1 -0.259 72.2-124.5 -75.7 157.5 -7.0 -9.5 11.9 301 301 A Q H > S+ 0 0 91 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.872 111.7 62.3 -58.4 -37.8 -8.3 -11.7 9.2 302 302 A E H > S+ 0 0 23 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.924 105.3 43.6 -60.4 -46.7 -5.1 -13.7 9.5 303 303 A V H > S+ 0 0 3 -6,-0.4 4,-2.2 -11,-0.2 -1,-0.2 0.930 113.3 52.2 -61.9 -45.0 -5.9 -14.7 13.1 304 304 A A H X S+ 0 0 38 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.907 110.1 49.2 -58.1 -41.1 -9.5 -15.4 12.2 305 305 A S H X S+ 0 0 0 -4,-2.8 4,-2.3 2,-0.2 -1,-0.2 0.859 106.5 54.6 -69.9 -36.5 -8.4 -17.7 9.4 306 306 A V H X S+ 0 0 0 -4,-2.0 4,-2.2 -5,-0.2 5,-0.2 0.943 111.3 46.4 -59.9 -46.8 -6.0 -19.6 11.5 307 307 A K H X S+ 0 0 92 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.921 111.7 50.7 -62.0 -43.4 -8.8 -20.3 14.0 308 308 A Q H X S+ 0 0 54 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.898 109.7 51.0 -60.0 -42.3 -11.2 -21.3 11.2 309 309 A A H X S+ 0 0 0 -4,-2.3 4,-1.4 2,-0.2 -1,-0.2 0.918 111.9 44.8 -66.1 -45.6 -8.7 -23.7 9.7 310 310 A F H <>S+ 0 0 0 -4,-2.2 5,-2.6 1,-0.2 4,-0.3 0.905 112.9 52.6 -67.1 -36.1 -7.9 -25.5 13.0 311 311 A D H ><5S+ 0 0 55 -4,-2.5 3,-1.6 -5,-0.2 -2,-0.2 0.927 105.6 55.9 -58.6 -44.2 -11.7 -25.6 13.7 312 312 A A H 3<5S+ 0 0 1 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.825 110.5 43.4 -61.2 -35.0 -12.2 -27.2 10.2 313 313 A V T 3<5S- 0 0 0 -4,-1.4 -96,-2.9 -3,-0.2 -1,-0.3 0.295 119.0-108.8 -95.8 11.5 -9.8 -30.0 11.0 314 314 A G T < 5S+ 0 0 25 -3,-1.6 2,-0.6 -4,-0.3 -3,-0.2 0.727 72.0 136.8 77.2 22.4 -11.2 -30.6 14.5 315 315 A V < 0 0 5 -5,-2.6 -1,-0.2 -6,-0.1 -2,-0.1 -0.921 360.0 360.0-107.4 115.5 -8.3 -29.2 16.6 316 316 A K 0 0 170 -2,-0.6 -31,-0.2 -5,-0.1 -30,-0.1 -0.659 360.0 360.0-105.1 360.0 -9.2 -27.0 19.5