==== 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 05-DEC-01 1KJO . COMPND 2 MOLECULE: THERMOLYSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS THERMOPROTEOLYTICUS; . AUTHOR M.SENDA,T.SENDA,S.KIDOKORO . 317 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12819.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 225 71.0 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 10.7 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 . 19 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 106 33.4 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 85 0, 0.0 2,-0.5 0, 0.0 28,-0.0 0.000 360.0 360.0 360.0 163.8 8.2 52.0 65.6 2 2 A T + 0 0 135 21,-0.0 2,-0.3 23,-0.0 21,-0.0 -0.762 360.0 106.0 -90.5 128.6 6.3 55.2 66.4 3 3 A G - 0 0 37 -2,-0.5 2,-0.5 23,-0.0 22,-0.2 -0.948 65.9 -52.7-172.7-166.2 6.6 56.4 69.9 4 4 A T E -A 24 0A 96 20,-2.4 20,-3.2 -2,-0.3 2,-0.3 -0.810 48.5-125.6 -97.4 128.0 7.9 58.8 72.5 5 5 A S E +A 23 0A 69 -2,-0.5 2,-0.2 18,-0.2 18,-0.2 -0.519 44.7 151.7 -72.9 133.0 11.6 59.4 72.7 6 6 A T E -A 22 0A 52 16,-2.7 16,-2.2 -2,-0.3 2,-0.4 -0.824 40.4-105.9-147.2-174.9 13.1 58.8 76.2 7 7 A V E -A 21 0A 77 -2,-0.2 14,-0.2 14,-0.2 2,-0.2 -0.985 28.9-175.1-127.8 129.1 16.3 57.8 77.9 8 8 A G E -A 20 0A 3 12,-3.2 12,-2.0 -2,-0.4 2,-0.3 -0.533 15.5-132.6-110.5 179.2 17.0 54.5 79.6 9 9 A V E +Ab 19 61A 29 51,-1.7 53,-3.1 10,-0.2 2,-0.3 -0.988 32.0 143.3-136.2 145.3 19.9 53.1 81.7 10 10 A G E -Ab 18 62A 0 8,-2.2 8,-2.6 -2,-0.3 2,-0.4 -0.945 41.4 -98.9-162.8-177.6 21.9 49.9 81.5 11 11 A R E -A 17 0A 117 51,-2.2 60,-0.2 -2,-0.3 6,-0.2 -0.955 32.0-140.0-119.4 137.7 25.2 48.1 81.9 12 12 A G > - 0 0 5 4,-2.7 3,-2.0 -2,-0.4 56,-0.2 -0.133 38.7 -82.7 -84.9-175.7 27.5 47.2 79.0 13 13 A V T 3 S+ 0 0 31 55,-0.5 55,-0.1 1,-0.3 122,-0.1 0.836 129.8 49.8 -55.9 -38.1 29.6 44.1 78.3 14 14 A L T 3 S- 0 0 85 121,-0.1 -1,-0.3 54,-0.1 -2,-0.0 0.289 121.9-105.4 -87.4 10.1 32.4 45.4 80.5 15 15 A G S < S+ 0 0 46 -3,-2.0 2,-0.3 1,-0.3 -2,-0.1 0.548 73.3 141.3 80.9 7.9 30.0 46.1 83.4 16 16 A D - 0 0 60 1,-0.0 -4,-2.7 -5,-0.0 2,-0.3 -0.624 49.2-126.0 -85.8 141.6 30.0 49.9 82.9 17 17 A Q E +A 11 0A 120 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.2 -0.676 36.9 163.8 -88.4 138.6 26.8 51.9 83.4 18 18 A K E -A 10 0A 15 -8,-2.6 -8,-2.2 -2,-0.3 2,-0.4 -0.988 36.1-114.7-151.1 157.3 25.6 54.2 80.6 19 19 A N E -A 9 0A 108 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.2 -0.757 31.7-166.6 -93.8 141.1 22.5 56.0 79.4 20 20 A I E -A 8 0A 3 -12,-2.0 -12,-3.2 -2,-0.4 2,-0.5 -0.972 23.3-115.5-130.9 145.1 20.9 55.0 76.1 21 21 A N E +A 7 0A 40 -2,-0.4 -14,-0.2 -14,-0.2 2,-0.2 -0.666 43.7 170.3 -81.3 124.5 18.3 56.6 73.9 22 22 A T E -A 6 0A 1 -16,-2.2 -16,-2.7 -2,-0.5 2,-0.4 -0.718 28.7-127.0-127.1 176.1 15.1 54.6 73.6 23 23 A T E -AC 5 29A 0 6,-1.8 6,-3.3 -18,-0.2 2,-0.5 -0.996 18.4-143.0-130.2 132.7 11.6 54.9 72.3 24 24 A Y E +AC 4 28A 102 -20,-3.2 -20,-2.4 -2,-0.4 4,-0.2 -0.846 39.9 135.9-104.1 128.7 8.4 54.2 74.3 25 25 A S S S- 0 0 47 2,-2.8 2,-2.6 -2,-0.5 -2,-0.0 -0.528 94.5 -47.7-166.8 85.0 5.3 52.6 72.9 26 26 A T S S+ 0 0 114 -2,-0.1 2,-0.2 32,-0.0 -2,-0.1 -0.374 140.3 36.1 77.0 -58.4 3.9 50.0 75.3 27 27 A Y S S- 0 0 112 -2,-2.6 -2,-2.8 -4,-0.1 2,-0.6 -0.659 94.3-110.6-111.6 170.2 7.4 48.6 75.6 28 28 A Y E -CD 24 57A 55 29,-3.2 29,-2.5 -2,-0.2 2,-0.3 -0.933 39.8-159.7-103.3 124.0 10.7 50.6 75.6 29 29 A Y E -CD 23 56A 45 -6,-3.3 2,-2.2 -2,-0.6 -6,-1.8 -0.775 28.6-115.6-108.5 151.8 12.6 49.9 72.4 30 30 A L S S+ 0 0 0 25,-2.0 11,-2.1 11,-0.3 2,-0.4 -0.578 71.7 129.0 -82.0 78.1 16.3 50.3 71.5 31 31 A Q E -E 40 0B 9 -2,-2.2 2,-0.7 9,-0.2 9,-0.2 -0.962 44.6-159.4-137.7 114.4 15.4 52.9 68.9 32 32 A D E > +E 39 0B 2 7,-2.7 7,-1.5 -2,-0.4 3,-0.5 -0.876 12.2 177.9-100.1 109.4 17.4 56.2 69.1 33 33 A N T 3 + 0 0 59 -2,-0.7 -1,-0.1 -11,-0.3 -28,-0.1 0.417 67.4 79.2 -91.6 1.6 15.5 59.0 67.3 34 34 A T T 3 S+ 0 0 88 1,-0.1 2,-0.5 5,-0.1 -1,-0.2 0.580 85.0 65.0 -85.6 -9.5 18.0 61.7 68.1 35 35 A R S X S- 0 0 49 -3,-0.5 3,-2.3 4,-0.1 -1,-0.1 -0.913 110.6 -68.6-122.4 109.0 20.5 60.6 65.4 36 36 A G T 3 S- 0 0 31 -2,-0.5 62,-0.1 1,-0.3 3,-0.1 -0.199 111.9 -16.0 53.4-136.6 19.6 60.9 61.8 37 37 A N T 3 S- 0 0 114 60,-1.5 -1,-0.3 1,-0.3 62,-0.2 0.354 119.8 -87.5 -80.7 5.7 16.9 58.5 60.6 38 38 A G < - 0 0 1 -3,-2.3 62,-2.4 60,-0.2 2,-0.5 -0.139 27.0-104.1 109.8 156.7 17.5 56.5 63.8 39 39 A I E -Ef 32 100B 0 -7,-1.5 -7,-2.7 60,-0.2 2,-0.4 -0.993 35.8-170.4-121.3 123.5 19.7 53.8 65.3 40 40 A F E -Ef 31 101B 23 60,-3.1 62,-2.2 -2,-0.5 2,-0.5 -0.962 7.0-163.7-120.3 132.5 17.9 50.5 65.8 41 41 A T E - f 0 102B 0 -11,-2.1 14,-2.5 -2,-0.4 -11,-0.3 -0.966 11.9-163.9-120.6 129.7 19.2 47.5 67.7 42 42 A Y E -Gf 54 103B 28 60,-3.4 62,-2.5 -2,-0.5 2,-0.6 -0.761 20.6-127.1-114.3 157.8 17.8 44.0 67.3 43 43 A D E -Gf 53 104B 25 10,-2.9 10,-2.0 -2,-0.3 62,-0.2 -0.902 15.7-174.2-102.3 116.2 17.8 40.6 69.1 44 44 A A > - 0 0 4 60,-2.6 3,-2.4 -2,-0.6 5,-0.3 0.484 29.9-141.9 -87.4 -4.2 18.9 37.8 66.8 45 45 A K T 3 - 0 0 106 59,-0.3 61,-0.1 1,-0.3 60,-0.1 0.783 61.4 -59.0 48.4 41.0 18.1 35.3 69.6 46 46 A Y T 3 S+ 0 0 111 59,-2.6 -1,-0.3 1,-0.3 60,-0.2 0.539 114.9 111.6 69.4 8.0 21.0 33.0 68.9 47 47 A R S < S- 0 0 168 -3,-2.4 60,-2.4 58,-0.3 -1,-0.3 -0.445 70.7-130.8-101.4 178.7 19.7 32.4 65.4 48 48 A T S S+ 0 0 81 58,-0.2 2,-0.4 -2,-0.2 -3,-0.1 0.314 70.7 110.8-113.7 5.7 21.2 33.5 62.0 49 49 A T S S- 0 0 94 -5,-0.3 -2,-0.2 2,-0.0 58,-0.1 -0.683 71.1 -97.7 -81.9 132.6 18.0 35.0 60.5 50 50 A L S S- 0 0 60 -2,-0.4 -2,-0.1 1,-0.2 71,-0.0 -0.837 81.0 -4.6-116.0 153.2 18.4 38.7 60.2 51 51 A P S S- 0 0 45 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.990 79.2-166.0 -83.6 -13.7 17.7 41.3 61.5 52 52 A G - 0 0 34 -8,-0.1 2,-0.4 -10,-0.1 -8,-0.2 -0.808 46.5 -27.0 104.1-148.6 15.6 39.5 64.2 53 53 A S E -G 43 0B 52 -10,-2.0 -10,-2.9 -2,-0.3 -8,-0.1 -0.876 65.8-105.5-110.2 136.4 13.3 41.5 66.5 54 54 A L E -G 42 0B 34 -2,-0.4 2,-0.3 -12,-0.2 -12,-0.3 -0.349 53.9 -97.2 -55.4 131.9 13.6 45.1 67.4 55 55 A W - 0 0 10 -14,-2.5 -25,-2.0 -25,-0.3 2,-0.4 -0.373 47.9-172.6 -61.9 117.1 14.8 45.1 71.0 56 56 A A E -D 29 0A 45 -2,-0.3 2,-0.4 -27,-0.2 -27,-0.2 -0.911 6.5-178.3-114.5 138.0 11.9 45.5 73.4 57 57 A D E -D 28 0A 23 -29,-2.5 -29,-3.2 -2,-0.4 5,-0.1 -0.994 23.7-142.7-136.2 141.1 12.2 46.0 77.2 58 58 A A S S+ 0 0 75 -2,-0.4 -1,-0.1 -31,-0.2 -29,-0.1 0.804 94.4 22.4 -75.2 -30.8 9.4 46.4 79.8 59 59 A D S S- 0 0 86 2,-0.3 -1,-0.2 -31,-0.1 3,-0.1 0.384 95.7-114.2-122.8 6.5 11.0 48.9 82.2 60 60 A N S S+ 0 0 17 1,-0.2 -51,-1.7 -32,-0.2 2,-0.5 0.705 81.7 115.9 68.4 20.4 13.7 50.9 80.3 61 61 A Q E -b 9 0A 99 -53,-0.2 2,-0.4 -51,-0.0 -2,-0.3 -0.990 45.4-170.0-121.9 122.8 16.4 49.4 82.6 62 62 A F E +b 10 0A 0 -53,-3.1 -51,-2.2 -2,-0.5 9,-0.1 -0.560 40.8 123.5-116.9 69.7 18.9 47.2 80.9 63 63 A F + 0 0 68 -2,-0.4 2,-0.2 -53,-0.2 -1,-0.1 0.345 39.8 110.6-107.4 3.4 21.0 45.5 83.7 64 64 A A S >> S- 0 0 49 -3,-0.2 4,-1.1 1,-0.1 3,-1.1 -0.497 76.5-121.3 -78.0 149.8 20.4 41.8 82.7 65 65 A S G >4 S+ 0 0 116 1,-0.3 3,-0.6 2,-0.2 -1,-0.1 0.889 115.1 56.7 -57.9 -37.6 23.4 39.9 81.4 66 66 A Y G 34 S+ 0 0 67 1,-0.2 4,-0.4 2,-0.1 -1,-0.3 0.764 103.6 55.6 -64.7 -25.2 21.4 39.2 78.2 67 67 A D G X> S+ 0 0 17 -3,-1.1 4,-2.3 1,-0.2 3,-0.8 0.783 84.7 85.1 -77.7 -29.9 21.0 43.0 77.7 68 68 A A H S+ 0 0 5 0, 0.0 4,-2.1 0, 0.0 -1,-0.3 0.860 114.2 49.6 -60.1 -34.2 25.6 43.3 74.1 70 70 A A H <> S+ 0 0 0 -3,-0.8 4,-2.4 -4,-0.4 5,-0.3 0.905 107.1 54.2 -70.8 -42.9 22.6 45.3 73.0 71 71 A V H X S+ 0 0 0 -4,-2.3 4,-2.6 -60,-0.2 5,-0.2 0.943 114.2 41.0 -56.5 -49.3 23.4 48.2 75.3 72 72 A D H X S+ 0 0 0 -4,-2.1 4,-2.8 2,-0.2 5,-0.3 0.870 112.7 52.2 -70.3 -37.9 26.9 48.5 73.9 73 73 A A H X S+ 0 0 0 -4,-2.1 4,-1.3 -5,-0.2 -1,-0.2 0.926 115.4 43.6 -63.4 -41.3 25.9 48.0 70.2 74 74 A H H X S+ 0 0 4 -4,-2.4 4,-1.4 2,-0.2 -2,-0.2 0.946 118.3 43.2 -67.4 -49.7 23.3 50.7 70.6 75 75 A Y H X S+ 0 0 94 -4,-2.6 4,-1.9 -5,-0.3 -2,-0.2 0.920 114.9 46.6 -65.2 -47.7 25.5 53.1 72.5 76 76 A Y H X S+ 0 0 11 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.779 106.8 58.0 -70.1 -25.6 28.7 52.7 70.5 77 77 A A H X S+ 0 0 0 -4,-1.3 4,-2.1 -5,-0.3 -1,-0.2 0.896 107.8 49.7 -68.0 -36.5 26.8 53.0 67.2 78 78 A G H X S+ 0 0 0 -4,-1.4 4,-2.3 2,-0.2 -2,-0.2 0.916 109.5 49.4 -66.1 -43.6 25.6 56.4 68.5 79 79 A V H X S+ 0 0 15 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.903 111.3 49.8 -62.3 -41.4 29.1 57.5 69.4 80 80 A T H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.891 109.0 52.0 -66.0 -38.6 30.4 56.5 66.0 81 81 A Y H X S+ 0 0 14 -4,-2.1 4,-2.2 1,-0.2 11,-0.3 0.927 109.9 50.3 -62.0 -43.0 27.6 58.5 64.3 82 82 A D H X S+ 0 0 38 -4,-2.3 4,-3.2 2,-0.2 5,-0.4 0.896 107.5 53.7 -62.3 -41.5 28.6 61.5 66.4 83 83 A Y H X>S+ 0 0 11 -4,-2.2 4,-2.7 1,-0.2 5,-0.8 0.962 111.4 43.9 -58.4 -53.8 32.2 61.2 65.4 84 84 A Y H X5S+ 0 0 4 -4,-2.2 6,-2.5 3,-0.2 4,-0.8 0.870 118.8 44.4 -62.1 -35.5 31.5 61.2 61.7 85 85 A K H X5S+ 0 0 89 -4,-2.2 4,-0.9 4,-0.3 -2,-0.2 0.953 121.0 35.9 -74.5 -49.6 29.0 64.0 62.1 86 86 A N H <5S+ 0 0 91 -4,-3.2 -3,-0.2 -5,-0.2 -2,-0.2 0.857 128.3 32.5 -73.9 -37.1 31.0 66.3 64.4 87 87 A V H <5S+ 0 0 59 -4,-2.7 -3,-0.2 -5,-0.4 -2,-0.1 0.868 135.9 19.3 -89.1 -40.3 34.5 65.6 63.0 88 88 A H H < - 0 0 62 -2,-0.5 6,-2.1 4,-0.3 4,-0.7 -0.781 64.0 -46.6 -92.8 102.0 25.5 62.3 58.2 92 92 A S T >4 S- 0 0 5 -2,-0.9 3,-0.6 -11,-0.3 7,-0.1 -0.000 92.4 -54.7 63.2-173.8 25.5 58.5 58.8 93 93 A Y T 34 S+ 0 0 20 5,-0.3 58,-0.2 1,-0.2 -1,-0.2 0.794 138.4 43.3 -70.7 -27.0 27.3 56.0 56.6 94 94 A D T 34 S- 0 0 48 -3,-0.2 -1,-0.2 4,-0.1 -2,-0.2 0.496 108.8-117.1 -96.4 -3.3 25.6 57.1 53.3 95 95 A G S << S+ 0 0 33 -4,-0.7 -4,-0.3 -3,-0.6 -3,-0.2 0.488 101.9 81.5 81.9 2.3 25.9 60.8 54.0 96 96 A N S S- 0 0 127 -5,-0.2 -4,-0.2 -6,-0.1 -3,-0.1 -0.063 112.7 -95.6-130.2 33.2 22.1 61.1 54.0 97 97 A N - 0 0 36 -6,-2.1 -60,-1.5 1,-0.2 -5,-0.2 0.805 54.3-173.2 59.2 36.3 21.3 60.0 57.6 98 98 A A - 0 0 17 -7,-0.5 -5,-0.3 -62,-0.1 -1,-0.2 -0.292 34.4 -97.6 -59.1 142.1 20.5 56.4 56.7 99 99 A A - 0 0 16 -62,-0.2 2,-0.6 -63,-0.1 -60,-0.2 -0.359 34.8-136.6 -62.3 139.9 19.1 54.4 59.6 100 100 A I E -f 39 0B 2 -62,-2.4 -60,-3.1 -3,-0.1 2,-0.4 -0.893 23.3-172.2-103.3 122.3 21.8 52.4 61.4 101 101 A R E +f 40 0B 90 -2,-0.6 19,-2.7 17,-0.3 2,-0.3 -0.943 7.1 178.3-120.1 138.3 20.8 48.8 62.3 102 102 A S E -fh 41 120B 0 -62,-2.2 -60,-3.4 -2,-0.4 2,-0.4 -0.989 12.1-157.8-135.5 144.1 22.6 46.3 64.5 103 103 A S E -fh 42 121B 0 17,-1.8 19,-2.4 -2,-0.3 2,-0.2 -0.979 12.9-168.7-122.2 134.6 21.7 42.8 65.6 104 104 A V E +f 43 0B 1 -62,-2.5 -60,-2.6 -2,-0.4 -59,-0.3 -0.703 62.9 43.3-116.6 171.9 23.2 41.1 68.6 105 105 A H E S+ 0 0 6 17,-0.3 -59,-2.6 -2,-0.2 2,-0.4 0.875 74.3 176.4 60.4 38.6 23.2 37.6 69.9 106 106 A Y E - 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0 0 26 -5,-1.7 -1,-0.3 -6,-0.1 -2,-0.1 -0.597 61.3 -98.4 -86.0 148.0 51.4 40.8 60.5 214 214 A P - 0 0 10 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.322 29.8-176.1 -65.2 141.7 53.6 42.5 58.0 215 215 A D S S+ 0 0 12 1,-0.2 2,-0.3 -7,-0.1 18,-0.0 0.105 71.7 46.1-122.6 18.7 54.9 46.0 58.7 216 216 A H S > S- 0 0 39 98,-0.1 3,-2.1 1,-0.1 98,-0.2 -0.961 82.7-119.4-158.9 142.9 56.7 46.6 55.4 217 217 A Y G > S+ 0 0 56 96,-3.3 3,-1.6 -2,-0.3 97,-0.1 0.779 110.3 65.7 -56.2 -30.3 55.7 46.0 51.8 218 218 A S G 3 S+ 0 0 84 1,-0.3 -1,-0.3 95,-0.1 96,-0.1 0.716 102.5 49.1 -66.6 -19.1 58.5 43.5 51.3 219 219 A K G < S+ 0 0 121 -3,-2.1 -1,-0.3 2,-0.1 -2,-0.2 0.229 82.5 137.9-104.7 13.5 56.8 41.2 53.8 220 220 A R < - 0 0 97 -3,-1.6 2,-0.4 1,-0.1 9,-0.1 -0.230 58.5-112.6 -61.6 147.1 53.4 41.3 52.3 221 221 A Y - 0 0 66 8,-0.2 -1,-0.1 1,-0.1 12,-0.1 -0.668 29.9-177.9 -81.9 132.1 51.4 38.1 52.0 222 222 A T + 0 0 118 -2,-0.4 -1,-0.1 -63,-0.0 7,-0.1 0.278 45.6 105.8-115.0 9.3 50.9 37.0 48.4 223 223 A G S S- 0 0 27 1,-0.1 -2,-0.0 2,-0.0 0, 0.0 0.057 75.9-114.0 -77.7-168.6 48.7 33.9 49.0 224 224 A T S >> S+ 0 0 133 4,-0.1 4,-0.7 3,-0.1 3,-0.5 0.550 76.3 108.1-105.9 -12.0 45.0 33.3 48.4 225 225 A Q H >> S+ 0 0 143 1,-0.2 4,-2.2 2,-0.2 3,-0.8 -0.258 79.6 21.3 -66.3 154.9 43.8 32.8 52.0 226 226 A D H 3> S- 0 0 55 1,-0.3 4,-2.4 2,-0.2 5,-0.3 0.892 137.5 -60.0 54.9 44.6 41.8 35.5 53.7 227 227 A N H <4 S- 0 0 87 -3,-0.5 -68,-2.2 1,-0.2 -1,-0.3 0.855 114.2 -36.3 52.6 38.3 40.7 37.0 50.3 228 228 A G H << S- 0 0 5 -3,-0.8 -1,-0.2 -4,-0.7 -2,-0.2 0.762 114.1 -58.9 87.0 25.9 44.4 37.6 49.5 229 229 A G H >X S+ 0 0 0 -4,-2.2 4,-3.0 -5,-0.1 3,-1.0 0.840 76.8 160.1 73.3 38.3 45.3 38.5 53.1 230 230 A V T 3< S+ 0 0 0 -4,-2.4 4,-0.3 1,-0.3 -64,-0.1 0.828 80.6 41.2 -61.7 -31.8 43.0 41.5 53.6 231 231 A H T 34 S+ 0 0 36 -5,-0.3 -1,-0.3 2,-0.1 -5,-0.1 0.475 120.7 46.1 -92.5 -3.3 43.4 41.2 57.4 232 232 A I T X4 S+ 0 0 44 -3,-1.0 3,-1.7 -6,-0.2 -2,-0.2 0.850 111.7 43.4-100.3 -57.3 47.1 40.5 57.1 233 233 A N T >X S+ 0 0 7 -4,-3.0 3,-1.2 1,-0.3 4,-0.7 0.585 93.9 82.0 -69.2 -9.2 48.4 43.1 54.7 234 234 A S H 3> S+ 0 0 0 -5,-0.4 4,-2.9 -4,-0.3 3,-0.3 0.768 77.6 73.8 -64.8 -22.5 46.4 45.8 56.4 235 235 A G H <> S+ 0 0 2 -3,-1.7 4,-2.2 1,-0.2 -1,-0.3 0.827 88.6 57.8 -60.1 -31.8 49.3 45.9 58.8 236 236 A I H <> S+ 0 0 0 -3,-1.2 4,-1.4 -4,-0.2 -1,-0.2 0.905 112.9 38.5 -65.8 -41.5 51.4 47.6 56.3 237 237 A I H X S+ 0 0 0 -4,-0.7 4,-2.6 -3,-0.3 -2,-0.2 0.869 112.7 56.0 -77.4 -38.4 48.9 50.5 56.0 238 238 A N H X S+ 0 0 1 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.908 107.9 50.1 -59.9 -40.7 48.1 50.5 59.7 239 239 A K H X S+ 0 0 22 -4,-2.2 4,-2.4 -5,-0.2 -1,-0.2 0.915 109.6 50.6 -63.9 -42.3 51.8 51.0 60.4 240 240 A A H X S+ 0 0 0 -4,-1.4 4,-2.4 1,-0.2 -2,-0.2 0.920 111.4 48.4 -61.4 -42.7 52.0 53.9 57.9 241 241 A A H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.901 110.2 51.4 -64.1 -42.0 48.9 55.5 59.6 242 242 A Y H X>S+ 0 0 56 -4,-2.5 4,-3.2 -37,-0.3 5,-0.6 0.913 111.2 48.3 -61.1 -43.5 50.5 55.1 63.0 243 243 A L H X5S+ 0 0 3 -4,-2.4 4,-1.9 3,-0.2 -2,-0.2 0.904 107.4 54.7 -65.2 -41.9 53.7 56.7 61.8 244 244 A I H <5S+ 0 0 1 -4,-2.4 14,-2.8 -5,-0.2 15,-0.4 0.922 119.2 34.3 -58.0 -42.8 51.9 59.7 60.2 245 245 A S H <5S+ 0 0 4 -4,-2.0 14,-1.9 12,-0.3 -2,-0.2 0.950 135.2 20.3 -77.9 -51.5 50.1 60.4 63.5 246 246 A Q H <5S- 0 0 92 -4,-3.2 11,-0.4 -5,-0.2 -3,-0.2 0.685 94.1-145.9 -95.3 -21.6 52.7 59.5 66.1 247 247 A G << + 0 0 11 -4,-1.9 2,-0.2 -5,-0.6 9,-0.2 -0.104 30.9 146.3 79.1 176.8 56.0 59.6 64.2 248 248 A G E -L 255 0E 34 7,-2.4 7,-2.9 -5,-0.1 2,-0.5 -0.785 50.4 -77.7 140.7 175.6 59.0 57.4 64.7 249 249 A T E +L 254 0E 94 5,-0.2 2,-0.4 -2,-0.2 5,-0.2 -0.965 43.1 179.4-115.5 121.7 61.8 55.7 62.9 250 250 A H E > -L 253 0E 19 3,-2.5 3,-2.1 -2,-0.5 -2,-0.0 -0.988 69.9 -15.1-127.3 123.7 60.9 52.5 61.0 251 251 A Y T 3 S- 0 0 112 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.859 130.8 -51.4 51.7 39.0 63.5 50.5 59.0 252 252 A G T 3 S+ 0 0 67 1,-0.2 2,-0.5 -3,-0.0 -1,-0.3 0.417 113.9 116.4 83.5 -2.7 65.8 53.4 59.1 253 253 A V E < -L 250 0E 38 -3,-2.1 -3,-2.5 59,-0.1 2,-0.4 -0.895 55.0-145.6-104.8 124.0 63.3 56.0 57.9 254 254 A S E -L 249 0E 72 -2,-0.5 2,-0.4 -5,-0.2 -5,-0.2 -0.725 13.4-169.0 -92.7 133.9 62.4 58.8 60.2 255 255 A V E -L 248 0E 9 -7,-2.9 -7,-2.4 -2,-0.4 2,-0.6 -0.974 16.7-141.0-124.1 131.7 58.8 60.3 60.3 256 256 A V - 0 0 84 -2,-0.4 -9,-0.2 -9,-0.2 53,-0.1 -0.821 28.9-127.6 -90.9 119.1 57.7 63.4 62.1 257 257 A G - 0 0 30 -2,-0.6 -12,-0.3 -11,-0.4 -11,-0.2 -0.384 21.7-171.0 -68.6 142.8 54.2 62.8 63.5 258 258 A I - 0 0 24 -14,-2.8 4,-0.4 1,-0.2 -13,-0.2 0.377 46.2-103.9-113.5 1.1 51.5 65.3 62.7 259 259 A G > - 0 0 27 -14,-1.9 4,-1.6 -15,-0.4 -1,-0.2 -0.016 28.6 -80.3 97.7 159.6 48.8 64.1 65.1 260 260 A R H > S+ 0 0 82 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.841 119.9 56.9 -67.4 -38.7 45.6 62.1 65.1 261 261 A D H > S+ 0 0 119 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.923 110.7 42.9 -62.5 -44.4 43.3 64.9 63.9 262 262 A K H > S+ 0 0 73 -4,-0.4 4,-2.7 2,-0.2 5,-0.2 0.869 110.8 56.6 -70.1 -35.1 45.3 65.6 60.8 263 263 A L H X S+ 0 0 0 -4,-1.6 4,-2.6 1,-0.2 5,-0.3 0.952 109.3 47.2 -58.4 -47.9 45.6 61.8 60.1 264 264 A G H X S+ 0 0 3 -4,-2.5 4,-2.3 1,-0.2 5,-0.2 0.899 111.9 48.7 -60.7 -43.4 41.9 61.6 60.2 265 265 A K H X S+ 0 0 110 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.911 112.8 48.6 -64.8 -41.7 41.4 64.6 57.9 266 266 A I H X S+ 0 0 0 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.948 116.1 41.1 -64.4 -50.1 43.9 63.3 55.4 267 267 A F H X S+ 0 0 1 -4,-2.6 4,-2.5 -5,-0.2 -1,-0.2 0.831 112.4 54.2 -70.3 -31.3 42.5 59.7 55.2 268 268 A Y H X S+ 0 0 32 -4,-2.3 4,-2.4 -5,-0.3 -1,-0.2 0.924 110.7 47.0 -68.0 -41.3 38.9 60.8 55.2 269 269 A R H X>S+ 0 0 74 -4,-1.9 4,-2.2 -5,-0.2 5,-0.6 0.910 112.4 49.7 -65.4 -40.8 39.5 63.0 52.2 270 270 A A H X>S+ 0 0 1 -4,-2.0 5,-2.6 1,-0.2 4,-1.5 0.927 112.8 47.9 -62.8 -43.7 41.4 60.3 50.4 271 271 A L H <5S+ 0 0 1 -4,-2.5 -118,-0.3 1,-0.2 -2,-0.2 0.887 120.3 35.7 -64.0 -42.2 38.6 57.8 51.1 272 272 A T H <5S+ 0 0 42 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.657 130.3 25.3 -90.3 -16.4 35.8 60.2 49.9 273 273 A Q H <5S+ 0 0 118 -4,-2.2 -3,-0.2 -5,-0.2 -2,-0.2 0.715 128.7 20.6-118.9 -28.9 37.5 62.0 47.0 274 274 A Y T < - 0 0 60 -2,-0.1 3,-1.5 -122,-0.0 -120,-0.1 -0.779 40.2 -89.9-128.1 172.5 38.3 53.9 43.8 277 277 A P T 3 S+ 0 0 62 0, 0.0 -121,-2.7 0, 0.0 -123,-0.1 0.802 125.1 38.5 -56.2 -30.6 37.1 50.3 44.0 278 278 A T T 3 S+ 0 0 99 -123,-0.2 -117,-0.1 -125,-0.1 -118,-0.1 0.230 80.8 142.3-107.2 14.7 40.3 48.9 42.6 279 279 A S < - 0 0 5 -3,-1.5 -115,-0.2 -126,-0.1 2,-0.2 -0.257 32.7-159.2 -57.3 137.5 42.9 51.2 44.3 280 280 A N > - 0 0 62 -119,-0.1 4,-1.9 -120,-0.1 5,-0.2 -0.487 37.2 -85.9-107.5-177.3 46.1 49.5 45.3 281 281 A F H > S+ 0 0 1 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.887 126.8 52.2 -57.6 -43.4 48.7 50.6 47.9 282 282 A S H > S+ 0 0 52 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.886 110.8 48.1 -61.8 -38.6 50.6 52.8 45.5 283 283 A Q H > S+ 0 0 93 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.819 107.6 55.6 -72.3 -29.6 47.4 54.6 44.5 284 284 A L H X S+ 0 0 0 -4,-1.9 4,-2.9 2,-0.2 5,-0.2 0.910 106.3 51.5 -67.1 -41.1 46.6 55.0 48.2 285 285 A R H X S+ 0 0 40 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.943 111.7 46.8 -59.2 -47.0 50.0 56.7 48.7 286 286 A A H X S+ 0 0 60 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.905 113.0 49.4 -60.9 -42.9 49.2 59.0 45.8 287 287 A A H X S+ 0 0 7 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.893 112.1 47.8 -64.0 -41.6 45.7 59.7 47.2 288 288 A A H X S+ 0 0 0 -4,-2.9 4,-2.3 2,-0.2 -2,-0.2 0.899 112.2 48.9 -67.4 -41.3 47.0 60.5 50.7 289 289 A V H X S+ 0 0 26 -4,-2.5 4,-1.9 -5,-0.2 -2,-0.2 0.919 113.1 47.5 -64.7 -42.7 49.7 62.8 49.3 290 290 A Q H X S+ 0 0 85 -4,-2.4 4,-2.6 -5,-0.2 -2,-0.2 0.896 111.3 51.3 -65.4 -39.8 47.2 64.6 47.2 291 291 A S H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.913 110.9 47.1 -63.8 -43.6 44.8 64.9 50.1 292 292 A A H X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 5,-0.5 0.852 111.6 53.0 -66.5 -33.6 47.5 66.4 52.4 293 293 A T H X S+ 0 0 37 -4,-1.9 4,-1.9 3,-0.2 -2,-0.2 0.925 108.0 49.5 -66.9 -44.8 48.4 68.7 49.5 294 294 A D H < S+ 0 0 65 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.916 120.4 37.0 -58.5 -44.8 44.8 70.0 49.2 295 295 A L H < S+ 0 0 72 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.828 135.3 13.0 -79.8 -35.9 44.5 70.6 52.9 296 296 A Y H < S- 0 0 62 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.509 106.4 -96.2-124.7 -6.3 48.0 71.9 53.9 297 297 A G >< - 0 0 30 -4,-1.9 3,-1.6 -5,-0.5 6,-0.4 0.078 33.5 -89.1 101.8 146.6 50.0 72.8 50.8 298 298 A S T 3 S+ 0 0 86 1,-0.3 -1,-0.1 -5,-0.1 -5,-0.1 0.734 125.4 45.6 -63.0 -24.9 52.5 71.0 48.6 299 299 A T T 3 S+ 0 0 141 -3,-0.1 -1,-0.3 -6,-0.1 -2,-0.1 0.132 89.8 122.2-106.0 20.5 55.5 72.2 50.7 300 300 A S S <> S- 0 0 19 -3,-1.6 4,-1.7 1,-0.1 5,-0.1 -0.350 72.7-121.6 -81.9 162.0 53.9 71.5 54.1 301 301 A Q H > S+ 0 0 100 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.848 112.7 62.0 -67.6 -34.1 55.2 69.3 56.9 302 302 A E H > S+ 0 0 26 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.916 104.7 44.5 -58.3 -47.2 52.0 67.3 56.6 303 303 A V H > S+ 0 0 3 -6,-0.4 4,-2.1 -11,-0.2 -1,-0.2 0.903 112.6 53.2 -65.1 -40.1 52.8 66.3 53.0 304 304 A A H X S+ 0 0 41 -4,-1.7 4,-2.3 1,-0.2 -2,-0.2 0.917 108.8 49.1 -60.5 -44.6 56.4 65.5 53.9 305 305 A S H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.838 108.2 53.1 -65.4 -35.8 55.3 63.2 56.8 306 306 A V H X S+ 0 0 0 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.931 111.2 46.9 -65.6 -43.9 52.8 61.3 54.6 307 307 A K H X S+ 0 0 91 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.908 112.8 49.3 -63.1 -43.0 55.6 60.7 52.1 308 308 A Q H X S+ 0 0 75 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.888 108.5 53.2 -63.8 -41.1 58.0 59.6 54.8 309 309 A A H X S+ 0 0 0 -4,-2.3 4,-1.3 1,-0.2 -1,-0.2 0.914 111.8 43.9 -62.5 -45.0 55.5 57.2 56.4 310 310 A F H <>S+ 0 0 0 -4,-1.9 5,-2.6 1,-0.2 -1,-0.2 0.855 112.1 53.5 -70.6 -32.0 54.9 55.4 53.1 311 311 A D H ><5S+ 0 0 71 -4,-2.0 3,-1.4 1,-0.2 -2,-0.2 0.918 105.3 56.4 -64.7 -41.2 58.6 55.3 52.3 312 312 A A H 3<5S+ 0 0 1 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.835 110.2 42.5 -59.2 -36.6 59.1 53.7 55.7 313 313 A V T 3<5S- 0 0 0 -4,-1.3 -96,-3.3 2,-0.1 -1,-0.3 0.309 118.5-109.7 -94.7 8.8 56.7 50.8 54.9 314 314 A G T < 5 + 0 0 28 -3,-1.4 2,-0.7 1,-0.2 -3,-0.2 0.710 68.7 142.1 75.0 22.1 58.1 50.4 51.4 315 315 A V < 0 0 4 -5,-2.6 -1,-0.2 1,-0.2 -2,-0.1 -0.869 360.0 360.0-101.6 113.1 55.1 51.7 49.5 316 316 A K 0 0 191 -2,-0.7 -1,-0.2 -5,-0.1 -5,-0.1 0.784 360.0 360.0-103.8 360.0 56.1 53.7 46.4 317 ! 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 1317 A T 0 0 70 0, 0.0 -204,-0.2 0, 0.0 -206,-0.0 0.000 360.0 360.0 360.0 360.0 35.6 40.7 60.0