==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 03-JUL-08 3DO1 . COMPND 2 MOLECULE: THERMOLYSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS THERMOPROTEOLYTICUS; . AUTHOR E.PECHKOVA,S.K.TRIPATHI,C.NICOLINI . 318 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12515.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 226 71.1 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 . 31 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 106 33.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.2 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 0.000 360.0 360.0 360.0 167.1 8.4 51.5 63.8 2 2 A T + 0 0 133 21,-0.0 2,-0.3 23,-0.0 21,-0.0 -0.818 360.0 97.2 -94.4 134.1 6.3 54.6 64.5 3 3 A G S S- 0 0 43 -2,-0.4 2,-0.4 23,-0.0 22,-0.2 -0.880 70.4 -55.4-177.9-152.6 6.5 55.9 68.1 4 4 A T E -A 24 0A 101 20,-1.8 20,-2.9 -2,-0.3 2,-0.2 -0.963 49.3-109.5-120.3 140.2 8.1 58.5 70.3 5 5 A S E +A 23 0A 70 -2,-0.4 2,-0.3 18,-0.2 18,-0.2 -0.464 46.8 168.9 -67.5 129.1 11.8 59.0 70.8 6 6 A T E -A 22 0A 33 16,-2.8 16,-2.8 -2,-0.2 2,-0.4 -0.795 31.0-123.7-131.9 174.9 13.0 57.9 74.2 7 7 A V E +A 21 0A 86 -2,-0.3 14,-0.2 14,-0.2 2,-0.1 -0.971 27.3 179.6-128.3 116.7 16.2 57.3 76.2 8 8 A G E -A 20 0A 3 12,-2.9 12,-2.0 -2,-0.4 2,-0.3 -0.411 16.0-136.5-100.3-175.3 17.0 54.0 77.9 9 9 A V E +Ab 19 61A 31 51,-1.7 53,-3.3 10,-0.3 2,-0.3 -0.997 29.7 144.4-145.2 143.0 20.0 52.8 79.9 10 10 A G E -Ab 18 62A 0 8,-2.1 8,-2.5 -2,-0.3 2,-0.4 -0.938 42.3 -92.3-161.4-173.4 21.9 49.6 79.9 11 11 A R E -A 17 0A 104 51,-1.9 60,-0.3 -2,-0.3 6,-0.2 -0.938 33.8-140.8-116.1 134.1 25.2 47.8 80.3 12 12 A G > - 0 0 4 4,-3.0 3,-1.8 -2,-0.4 56,-0.2 -0.153 39.5 -84.2 -80.7-178.5 27.5 46.9 77.4 13 13 A V T 3 S+ 0 0 30 55,-0.6 55,-0.1 1,-0.3 122,-0.1 0.809 130.1 50.7 -57.8 -33.8 29.6 43.7 76.7 14 14 A L T 3 S- 0 0 77 54,-0.1 -1,-0.3 121,-0.1 3,-0.1 0.383 122.6-103.7 -87.6 4.4 32.4 45.1 78.9 15 15 A G S < S+ 0 0 47 -3,-1.8 2,-0.3 1,-0.3 -2,-0.1 0.558 74.2 144.1 85.0 9.9 30.1 46.0 81.8 16 16 A D - 0 0 47 1,-0.0 -4,-3.0 -5,-0.0 2,-0.4 -0.616 46.4-130.9 -84.5 137.0 30.0 49.7 81.1 17 17 A Q E +A 11 0A 127 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.2 -0.718 35.4 161.9 -90.0 137.9 26.8 51.6 81.6 18 18 A K E -A 10 0A 15 -8,-2.5 -8,-2.1 -2,-0.4 2,-0.3 -0.994 37.3-113.9-152.9 151.7 25.5 53.9 78.8 19 19 A N E -A 9 0A 104 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.3 -0.622 31.7-164.1 -82.9 144.3 22.4 55.7 77.7 20 20 A I E -A 8 0A 2 -12,-2.0 -12,-2.9 -2,-0.3 2,-0.4 -0.997 21.8-119.3-133.5 137.0 20.8 54.6 74.4 21 21 A N E +A 7 0A 42 -2,-0.4 -14,-0.2 -14,-0.2 2,-0.2 -0.624 44.0 169.7 -72.4 125.9 18.3 56.3 72.1 22 22 A T E -A 6 0A 1 -16,-2.8 -16,-2.8 -2,-0.4 2,-0.4 -0.706 30.2-122.7-129.3 177.1 15.2 54.1 71.8 23 23 A T E -AC 5 29A 0 6,-2.0 6,-3.3 -18,-0.2 2,-0.5 -0.994 19.3-146.1-129.1 129.2 11.7 54.4 70.5 24 24 A Y E +AC 4 28A 99 -20,-2.9 -20,-1.8 -2,-0.4 4,-0.2 -0.835 40.7 131.7 -98.8 126.0 8.5 53.8 72.5 25 25 A S S S- 0 0 51 2,-2.5 2,-2.2 -2,-0.5 -2,-0.0 -0.549 96.8 -43.3-165.1 96.8 5.3 52.2 71.1 26 26 A T S S+ 0 0 113 -2,-0.1 2,-0.3 32,-0.0 -2,-0.1 -0.420 140.5 34.8 69.2 -60.0 4.0 49.4 73.4 27 27 A Y S S- 0 0 117 -2,-2.2 -2,-2.5 -4,-0.1 2,-0.6 -0.717 92.7-110.8-105.8 165.0 7.6 48.2 73.8 28 28 A Y E -CD 24 57A 61 29,-3.0 29,-2.3 -2,-0.3 2,-0.3 -0.904 40.6-158.5 -93.5 119.1 10.8 50.2 73.9 29 29 A Y E -CD 23 56A 44 -6,-3.3 2,-2.1 -2,-0.6 -6,-2.0 -0.761 28.2-113.8-101.3 144.0 12.7 49.4 70.6 30 30 A L S S+ 0 0 0 25,-2.3 11,-2.3 -2,-0.3 2,-0.4 -0.557 72.6 129.4 -69.4 81.2 16.4 49.8 69.8 31 31 A Q E -E 40 0B 8 -2,-2.1 2,-0.8 9,-0.2 9,-0.2 -0.936 44.9-159.4-143.7 110.5 15.6 52.6 67.3 32 32 A D E > -E 39 0B 4 7,-2.7 7,-1.6 -2,-0.4 3,-0.5 -0.849 10.2-179.7 -98.7 107.0 17.6 55.8 67.5 33 33 A N T 3 + 0 0 60 -2,-0.8 -1,-0.1 -11,-0.3 5,-0.1 0.498 69.8 75.9 -82.1 -4.6 15.5 58.5 65.7 34 34 A T T 3 S+ 0 0 86 1,-0.1 2,-0.6 5,-0.1 -1,-0.2 0.636 84.3 66.7 -83.9 -15.4 18.1 61.2 66.4 35 35 A R S X S- 0 0 47 -3,-0.5 3,-2.2 4,-0.1 -1,-0.1 -0.896 111.7 -68.2-114.2 107.2 20.7 60.1 63.8 36 36 A G T 3 S- 0 0 25 -2,-0.6 62,-0.1 1,-0.3 3,-0.1 -0.217 112.5 -15.5 56.8-137.1 19.7 60.4 60.1 37 37 A N T 3 S- 0 0 109 60,-2.1 -1,-0.3 1,-0.3 62,-0.2 0.260 121.0 -84.3 -83.3 10.7 17.0 58.0 59.0 38 38 A G < - 0 0 2 -3,-2.2 62,-2.3 60,-0.2 2,-0.5 -0.034 28.5-104.5 111.7 155.6 17.6 56.1 62.2 39 39 A I E -Ef 32 100B 0 -7,-1.6 -7,-2.7 60,-0.2 2,-0.4 -0.986 37.0-169.8-116.4 125.0 19.8 53.5 63.8 40 40 A F E -Ef 31 101B 17 60,-3.1 62,-2.2 -2,-0.5 2,-0.4 -0.969 6.8-163.7-124.9 128.8 18.0 50.1 64.2 41 41 A T E - f 0 102B 0 -11,-2.3 14,-2.8 -2,-0.4 -11,-0.3 -0.957 11.4-163.8-120.3 134.1 19.3 47.1 66.2 42 42 A Y E -Gf 54 103B 26 60,-3.1 62,-2.3 -2,-0.4 2,-0.6 -0.812 20.8-126.0-119.8 151.1 17.9 43.6 65.7 43 43 A D E -Gf 53 104B 25 10,-3.2 10,-2.2 -2,-0.3 62,-0.2 -0.885 15.1-173.6 -93.8 115.1 18.0 40.2 67.6 44 44 A A > - 0 0 3 60,-2.7 3,-2.4 -2,-0.6 5,-0.3 0.511 29.0-143.3 -82.5 -7.6 19.2 37.3 65.3 45 45 A K T 3 - 0 0 106 59,-0.3 61,-0.1 1,-0.3 60,-0.1 0.745 63.8 -57.9 55.0 34.4 18.3 34.9 68.2 46 46 A Y T 3 S+ 0 0 107 59,-2.6 -1,-0.3 1,-0.3 60,-0.2 0.515 115.9 112.5 71.4 9.2 21.3 32.6 67.4 47 47 A R S < S- 0 0 174 -3,-2.4 60,-2.4 58,-0.3 -1,-0.3 -0.480 71.5-131.3 -99.6 173.5 20.1 32.0 63.8 48 48 A T S S+ 0 0 82 58,-0.2 2,-0.2 -2,-0.2 -3,-0.1 0.314 70.5 115.0-109.1 4.6 21.6 33.2 60.6 49 49 A T - 0 0 101 -5,-0.3 -2,-0.2 2,-0.1 58,-0.1 -0.563 68.9-102.6 -68.5 139.3 18.3 34.6 59.2 50 50 A L S S- 0 0 50 -2,-0.2 -2,-0.1 1,-0.2 71,-0.0 -0.962 81.3 -3.3-128.9 148.1 18.7 38.4 58.8 51 51 A P S S- 0 0 45 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.994 81.1-166.3 -77.6 -12.4 17.9 40.9 60.1 52 52 A G - 0 0 34 -8,-0.1 2,-0.4 51,-0.1 -8,-0.2 -0.752 48.3 -25.8 95.2-150.7 15.9 39.0 62.8 53 53 A S E -G 43 0B 52 -10,-2.2 -10,-3.2 -2,-0.3 2,-0.1 -0.808 67.1-104.7-105.4 138.8 13.5 41.0 65.0 54 54 A L E -G 42 0B 33 -2,-0.4 -12,-0.3 -12,-0.3 2,-0.2 -0.432 54.2 -98.7 -57.2 129.8 13.8 44.7 65.9 55 55 A W - 0 0 12 -14,-2.8 -25,-2.3 -25,-0.3 2,-0.4 -0.360 48.8-173.2 -65.8 121.9 15.1 44.7 69.4 56 56 A A E -D 29 0A 42 -27,-0.2 2,-0.4 -2,-0.2 -27,-0.2 -0.935 6.9-176.6-122.2 138.5 12.1 45.2 71.8 57 57 A D E -D 28 0A 21 -29,-2.3 -29,-3.0 -2,-0.4 3,-0.1 -0.999 23.9-142.5-141.4 137.1 12.3 45.7 75.6 58 58 A A S S+ 0 0 76 -2,-0.4 -1,-0.1 -31,-0.2 -29,-0.1 0.789 95.9 21.4 -71.1 -30.7 9.6 46.0 78.2 59 59 A D S S- 0 0 90 2,-0.3 -1,-0.2 -31,-0.1 3,-0.1 0.386 95.7-113.8-127.6 4.0 11.1 48.6 80.5 60 60 A N S S+ 0 0 16 1,-0.2 -51,-1.7 -32,-0.2 2,-0.4 0.718 82.2 115.3 66.9 20.7 13.8 50.6 78.6 61 61 A Q E -b 9 0A 97 -53,-0.2 2,-0.4 -51,-0.0 -2,-0.3 -0.993 46.7-168.9-121.1 128.6 16.5 49.2 80.8 62 62 A F E +b 10 0A 0 -53,-3.3 -51,-1.9 -2,-0.4 9,-0.1 -0.505 41.0 123.9-121.4 62.4 19.1 46.9 79.1 63 63 A F + 0 0 54 -2,-0.4 -1,-0.2 -53,-0.2 2,-0.1 0.354 37.9 110.1-105.9 2.6 21.0 45.2 81.9 64 64 A A S >> S- 0 0 49 -3,-0.2 4,-1.1 1,-0.1 3,-0.8 -0.487 77.1-120.5 -74.2 149.9 20.5 41.5 81.1 65 65 A S G >4 S+ 0 0 116 1,-0.2 3,-0.8 2,-0.2 -1,-0.1 0.921 116.8 56.7 -55.0 -40.3 23.6 39.6 79.8 66 66 A Y G 34 S+ 0 0 67 1,-0.2 4,-0.5 2,-0.1 -1,-0.2 0.792 104.5 54.2 -58.9 -31.0 21.5 38.9 76.6 67 67 A D G <> S+ 0 0 17 -3,-0.8 4,-2.6 1,-0.2 3,-0.4 0.763 86.3 84.2 -71.8 -32.6 21.1 42.7 76.1 68 68 A A H S+ 0 0 4 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.882 115.4 50.4 -61.5 -37.5 25.8 42.9 72.5 70 70 A A H > S+ 0 0 0 -4,-0.5 4,-2.6 -3,-0.4 5,-0.3 0.933 108.1 51.8 -63.6 -49.1 22.6 44.8 71.4 71 71 A V H X S+ 0 0 0 -4,-2.6 4,-3.2 -60,-0.3 5,-0.2 0.939 115.3 42.0 -50.1 -52.4 23.5 47.8 73.7 72 72 A D H X S+ 0 0 0 -4,-2.2 4,-3.1 2,-0.2 5,-0.4 0.907 112.7 51.1 -68.0 -44.9 27.0 48.1 72.2 73 73 A A H X S+ 0 0 0 -4,-2.6 4,-1.5 2,-0.2 -1,-0.2 0.926 117.5 42.2 -56.0 -44.1 26.1 47.5 68.6 74 74 A H H X S+ 0 0 5 -4,-2.6 4,-1.6 -5,-0.2 -2,-0.2 0.960 118.0 44.2 -68.2 -52.8 23.4 50.2 68.9 75 75 A Y H X S+ 0 0 92 -4,-3.2 4,-1.9 -5,-0.3 -2,-0.2 0.910 115.2 46.5 -59.3 -49.1 25.6 52.6 70.9 76 76 A Y H X S+ 0 0 4 -4,-3.1 4,-2.2 1,-0.2 -1,-0.2 0.773 105.9 59.1 -72.1 -28.1 28.7 52.3 68.8 77 77 A A H X S+ 0 0 0 -4,-1.5 4,-2.6 -5,-0.4 -1,-0.2 0.928 107.8 48.7 -58.4 -43.3 26.8 52.6 65.6 78 78 A G H X S+ 0 0 3 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.915 110.3 49.4 -61.1 -47.4 25.7 56.1 66.9 79 79 A V H X S+ 0 0 16 -4,-1.9 4,-2.7 2,-0.2 -1,-0.2 0.910 111.5 49.1 -59.8 -43.7 29.3 57.0 67.9 80 80 A T H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 5,-0.2 0.926 110.3 51.1 -63.3 -43.9 30.5 56.0 64.4 81 81 A Y H X S+ 0 0 12 -4,-2.6 4,-2.1 1,-0.2 11,-0.3 0.918 110.5 50.0 -56.0 -44.1 27.7 58.1 62.8 82 82 A D H X S+ 0 0 37 -4,-2.5 4,-3.3 1,-0.2 5,-0.4 0.922 108.4 53.2 -63.9 -45.9 28.7 61.0 65.0 83 83 A Y H X>S+ 0 0 9 -4,-2.7 4,-2.8 2,-0.2 5,-0.7 0.938 111.2 44.0 -48.7 -57.0 32.4 60.6 63.9 84 84 A Y H X5S+ 0 0 4 -4,-2.4 6,-3.0 1,-0.2 4,-1.1 0.868 118.6 44.8 -63.4 -36.4 31.6 60.7 60.2 85 85 A K H X5S+ 0 0 89 -4,-2.1 4,-0.7 4,-0.3 -2,-0.2 0.921 121.6 34.9 -71.9 -48.6 29.2 63.6 60.6 86 86 A N H <5S+ 0 0 89 -4,-3.3 -2,-0.2 -5,-0.2 -3,-0.2 0.838 128.8 34.0 -79.7 -34.4 31.3 65.8 62.9 87 87 A V H <5S+ 0 0 57 -4,-2.8 -3,-0.2 -5,-0.4 -2,-0.2 0.896 136.7 16.4 -88.9 -44.1 34.7 65.0 61.4 88 88 A H H < - 0 0 61 -2,-0.5 6,-2.3 4,-0.2 4,-0.5 -0.782 63.9 -46.9 -95.1 100.4 25.7 61.9 56.9 92 92 A S T >4 S- 0 0 4 -2,-1.0 3,-0.8 -11,-0.3 7,-0.1 0.018 92.9 -52.9 58.4-173.8 25.7 58.1 57.5 93 93 A Y T 34 S+ 0 0 22 5,-0.3 58,-0.2 1,-0.2 -1,-0.2 0.775 139.0 42.6 -70.8 -29.3 27.4 55.6 55.1 94 94 A D T 34 S- 0 0 46 -3,-0.2 -1,-0.2 4,-0.1 -2,-0.2 0.425 109.1-117.6 -93.2 -2.3 25.7 56.8 51.9 95 95 A G S << S+ 0 0 32 -3,-0.8 -4,-0.2 -4,-0.5 -3,-0.2 0.535 101.6 84.3 75.8 7.4 26.2 60.5 52.7 96 96 A N S S- 0 0 123 -5,-0.2 -4,-0.2 -6,-0.1 -3,-0.1 -0.036 112.8 -96.1-129.9 31.6 22.4 60.8 52.6 97 97 A N - 0 0 37 -6,-2.3 -60,-2.1 1,-0.2 -5,-0.2 0.779 55.5-173.2 60.6 29.7 21.5 59.7 56.2 98 98 A A - 0 0 15 -7,-0.5 -5,-0.3 -62,-0.1 -60,-0.2 -0.218 34.4 -97.5 -47.8 140.5 20.7 56.0 55.2 99 99 A A - 0 0 17 -62,-0.2 2,-0.6 -63,-0.1 -60,-0.2 -0.400 35.7-136.7 -62.1 140.1 19.2 54.0 58.0 100 100 A I E -f 39 0B 1 -62,-2.3 -60,-3.1 -3,-0.1 2,-0.4 -0.898 20.8-167.8-105.4 122.0 21.9 51.9 59.8 101 101 A R E +f 40 0B 91 -2,-0.6 19,-3.0 17,-0.3 2,-0.3 -0.926 7.5 178.9-116.4 134.4 20.9 48.3 60.7 102 102 A S E -fh 41 120B 0 -62,-2.2 -60,-3.1 -2,-0.4 2,-0.4 -0.987 11.0-160.2-130.4 143.9 22.7 45.9 63.0 103 103 A S E -fh 42 121B 0 17,-1.8 19,-2.5 -2,-0.3 2,-0.2 -0.985 11.0-170.1-123.1 132.5 22.0 42.3 64.1 104 104 A V E +f 43 0B 0 -62,-2.3 -60,-2.7 -2,-0.4 -59,-0.3 -0.708 63.6 42.1-114.9 171.0 23.4 40.7 67.2 105 105 A H E S+ 0 0 7 17,-0.4 -59,-2.6 -2,-0.2 2,-0.5 0.888 75.0 177.7 56.3 40.5 23.4 37.1 68.5 106 106 A Y E - 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0 0 23 -5,-2.1 -1,-0.3 -6,-0.1 -2,-0.1 -0.630 60.7-100.7 -87.9 145.9 51.1 40.5 59.2 214 214 A P - 0 0 9 0, 0.0 25,-0.2 0, 0.0 -1,-0.1 -0.324 28.6-175.3 -64.5 143.6 53.4 42.1 56.6 215 215 A D S S+ 0 0 14 1,-0.1 2,-0.3 -7,-0.1 3,-0.0 0.125 72.1 47.5-120.8 12.5 54.8 45.6 57.3 216 216 A H S > S- 0 0 38 1,-0.1 3,-1.7 98,-0.1 98,-0.2 -0.984 81.6-121.7-153.7 145.7 56.5 45.9 53.9 217 217 A Y G > S+ 0 0 61 96,-2.7 3,-1.6 -2,-0.3 97,-0.1 0.804 110.6 61.9 -59.9 -30.2 55.5 45.3 50.3 218 218 A S G 3 S+ 0 0 86 1,-0.3 -1,-0.3 95,-0.1 96,-0.1 0.691 103.6 51.6 -68.9 -18.9 58.3 42.8 49.8 219 219 A K G < S+ 0 0 119 -3,-1.7 -1,-0.3 2,-0.1 -2,-0.2 0.204 83.4 137.6-102.2 12.3 56.7 40.6 52.5 220 220 A R < - 0 0 95 -3,-1.6 2,-0.4 1,-0.1 9,-0.1 -0.254 60.6-111.5 -63.2 146.8 53.2 40.7 50.9 221 221 A Y - 0 0 62 8,-0.2 -1,-0.1 1,-0.1 12,-0.1 -0.662 32.1-177.1 -78.5 129.6 51.2 37.5 50.9 222 222 A T + 0 0 122 -2,-0.4 -1,-0.1 -63,-0.0 -2,-0.0 0.411 47.3 92.0-111.2 -1.4 50.8 36.3 47.3 223 223 A G S S- 0 0 26 1,-0.0 -2,-0.0 2,-0.0 0, 0.0 0.051 81.5-104.4 -87.5-164.1 48.6 33.2 47.6 224 224 A T S >> S+ 0 0 132 4,-0.1 4,-0.8 3,-0.1 3,-0.5 0.602 75.9 111.3-105.3 -12.5 44.8 32.7 47.5 225 225 A Q H >> S+ 0 0 142 1,-0.2 4,-2.1 2,-0.2 3,-1.2 -0.177 81.4 19.0 -57.2 153.9 43.8 32.2 51.1 226 226 A D H 3> S- 0 0 47 1,-0.3 4,-2.6 2,-0.2 5,-0.3 0.867 138.3 -58.0 52.8 45.1 41.7 35.0 52.7 227 227 A N H <4 S- 0 0 88 -3,-0.5 -68,-2.6 1,-0.2 -1,-0.3 0.822 114.1 -38.8 56.0 35.3 40.6 36.4 49.3 228 228 A G H << S- 0 0 5 -3,-1.2 -1,-0.2 -4,-0.8 -2,-0.2 0.809 115.3 -54.1 80.7 31.6 44.3 36.9 48.4 229 229 A G H >X S+ 0 0 0 -4,-2.1 4,-2.9 -5,-0.1 3,-1.0 0.827 78.3 158.8 80.3 37.3 45.4 38.1 51.9 230 230 A V T 3< S+ 0 0 0 -4,-2.6 4,-0.2 1,-0.3 -64,-0.2 0.834 81.5 37.1 -66.2 -34.2 42.9 40.9 52.5 231 231 A H T 34 S+ 0 0 16 -5,-0.3 -1,-0.3 2,-0.1 -4,-0.1 0.344 122.7 48.5 -92.2 1.3 43.4 40.8 56.3 232 232 A I T X4 S+ 0 0 44 -3,-1.0 3,-2.1 -6,-0.2 4,-0.2 0.813 112.3 40.0-102.1 -62.8 47.1 40.1 55.8 233 233 A N T >X S+ 0 0 6 -4,-2.9 3,-1.0 1,-0.3 4,-0.8 0.571 96.3 81.8 -68.1 -7.7 48.4 42.6 53.3 234 234 A S H 3> S+ 0 0 0 -5,-0.4 4,-3.1 1,-0.2 -1,-0.3 0.790 78.9 73.1 -64.2 -25.7 46.2 45.2 55.0 235 235 A G H <> S+ 0 0 1 -3,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.840 90.3 54.7 -54.4 -37.1 49.2 45.3 57.4 236 236 A I H <> S+ 0 0 0 -3,-1.0 4,-1.7 -4,-0.2 -1,-0.2 0.913 114.5 38.9 -67.8 -42.6 51.3 47.2 54.8 237 237 A I H X S+ 0 0 0 -4,-0.8 4,-2.7 2,-0.2 -2,-0.2 0.873 113.8 54.4 -75.1 -41.1 48.7 49.9 54.4 238 238 A N H X S+ 0 0 1 -4,-3.1 4,-2.9 2,-0.2 -2,-0.2 0.910 109.2 49.6 -56.7 -43.8 47.9 50.0 58.2 239 239 A K H X S+ 0 0 21 -4,-2.4 4,-2.6 -5,-0.2 -2,-0.2 0.919 110.3 49.9 -59.5 -47.4 51.6 50.5 58.8 240 240 A A H X S+ 0 0 0 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.923 112.4 47.7 -56.2 -47.1 51.7 53.4 56.3 241 241 A A H X S+ 0 0 0 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.912 110.8 51.2 -62.2 -47.2 48.7 55.0 57.9 242 242 A Y H X S+ 0 0 57 -4,-2.9 4,-3.3 -37,-0.2 5,-0.5 0.929 111.5 48.2 -52.5 -49.6 50.2 54.6 61.4 243 243 A L H X S+ 0 0 2 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.888 108.1 53.6 -62.5 -43.8 53.5 56.2 60.2 244 244 A I H < S+ 0 0 0 -4,-2.4 14,-3.0 -5,-0.2 15,-0.4 0.932 119.2 35.6 -54.3 -47.0 51.7 59.2 58.5 245 245 A S H < S+ 0 0 3 -4,-2.1 14,-2.5 12,-0.2 -2,-0.2 0.947 135.9 18.3 -71.1 -51.8 49.9 59.9 61.8 246 246 A Q H < S- 0 0 78 -4,-3.3 11,-0.4 -5,-0.2 -3,-0.2 0.579 92.9-146.4-105.4 -16.7 52.5 59.1 64.4 247 247 A G < + 0 0 10 -4,-2.3 2,-0.2 -5,-0.5 9,-0.2 -0.016 31.6 141.8 71.2 178.9 55.8 59.1 62.5 248 248 A G E -L 255 0E 34 7,-2.5 7,-2.2 -5,-0.1 2,-0.4 -0.747 50.9 -72.7 137.8 175.6 58.8 56.9 63.1 249 249 A T E +L 254 0E 94 -2,-0.2 2,-0.3 5,-0.2 5,-0.2 -0.882 43.5 172.3-110.2 143.0 61.5 55.0 61.4 250 250 A H E > S-L 253 0E 17 3,-1.8 3,-1.5 -2,-0.4 -2,-0.0 -0.938 70.3 -9.3-157.6 121.0 60.8 51.8 59.5 251 251 A Y T 3 S- 0 0 107 -2,-0.3 3,-0.1 1,-0.2 63,-0.0 0.841 129.2 -56.5 46.2 43.0 63.2 49.8 57.3 252 252 A G T 3 S+ 0 0 74 1,-0.2 2,-0.5 0, 0.0 -1,-0.2 0.640 113.0 119.6 69.6 17.8 65.6 52.7 57.6 253 253 A V E < -L 250 0E 36 -3,-1.5 -3,-1.8 59,-0.1 2,-0.4 -0.970 55.3-142.7-115.0 126.5 63.1 55.2 56.2 254 254 A S E -L 249 0E 73 -2,-0.5 2,-0.4 -5,-0.2 -5,-0.2 -0.715 14.1-168.1 -96.2 136.5 62.2 58.2 58.5 255 255 A V E -L 248 0E 10 -7,-2.2 -7,-2.5 -2,-0.4 2,-0.6 -0.985 15.2-144.5-128.5 125.4 58.6 59.6 58.6 256 256 A V - 0 0 85 -2,-0.4 -9,-0.3 -9,-0.2 2,-0.1 -0.802 29.5-126.6 -86.6 120.2 57.6 62.8 60.3 257 257 A G - 0 0 34 -2,-0.6 -12,-0.2 -11,-0.4 -11,-0.2 -0.398 22.8-172.2 -70.8 137.7 54.1 62.4 61.9 258 258 A I - 0 0 26 -14,-3.0 4,-0.4 1,-0.2 -13,-0.2 0.372 46.6-110.1-110.0 1.5 51.3 64.8 61.0 259 259 A G > - 0 0 26 -14,-2.5 4,-1.7 -15,-0.4 -1,-0.2 0.034 29.2 -75.6 93.2 164.1 48.7 63.5 63.5 260 260 A R H > S+ 0 0 92 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.890 121.7 57.3 -65.6 -45.3 45.4 61.6 63.4 261 261 A D H > S+ 0 0 132 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.932 111.8 42.6 -53.8 -47.9 43.1 64.4 62.2 262 262 A K H > S+ 0 0 74 -4,-0.4 4,-2.5 2,-0.2 -1,-0.2 0.855 111.1 54.7 -71.0 -35.3 45.2 64.9 59.1 263 263 A L H X S+ 0 0 0 -4,-1.7 4,-2.7 2,-0.2 5,-0.3 0.966 110.4 48.4 -57.2 -50.9 45.6 61.2 58.5 264 264 A G H X S+ 0 0 3 -4,-2.9 4,-2.5 1,-0.2 5,-0.2 0.909 112.0 47.8 -54.2 -49.3 41.8 61.0 58.6 265 265 A K H X S+ 0 0 106 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.890 113.7 47.3 -60.2 -44.4 41.3 63.9 56.2 266 266 A I H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.924 117.1 40.9 -66.7 -47.6 43.9 62.6 53.7 267 267 A F H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.816 113.6 53.7 -71.5 -31.8 42.5 59.0 53.6 268 268 A Y H X S+ 0 0 33 -4,-2.5 4,-2.4 -5,-0.3 -2,-0.2 0.938 112.1 45.3 -66.1 -44.0 38.8 60.2 53.6 269 269 A R H X>S+ 0 0 74 -4,-2.2 4,-1.7 -5,-0.2 5,-0.6 0.918 113.1 50.8 -62.4 -44.9 39.6 62.4 50.6 270 270 A A H X>S+ 0 0 0 -4,-2.3 5,-2.5 1,-0.2 4,-1.9 0.944 113.8 44.9 -53.2 -51.3 41.5 59.5 49.0 271 271 A L H <5S+ 0 0 1 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.872 120.7 37.2 -63.6 -42.8 38.5 57.1 49.6 272 272 A T H <5S+ 0 0 37 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.561 130.1 25.4 -90.6 -12.2 35.8 59.5 48.4 273 273 A Q H <5S+ 0 0 113 -4,-1.7 -3,-0.2 -3,-0.3 -2,-0.2 0.719 128.9 18.1-124.4 -36.9 37.6 61.2 45.5 274 274 A Y T < - 0 0 60 -2,-0.1 3,-1.4 -122,-0.1 -120,-0.1 -0.737 40.8 -89.6-128.9 171.3 38.2 53.0 42.4 277 277 A P T 3 S+ 0 0 63 0, 0.0 -121,-2.5 0, 0.0 -123,-0.1 0.823 126.7 36.4 -54.9 -30.8 37.0 49.4 42.7 278 278 A T T 3 S+ 0 0 97 -123,-0.2 -117,-0.1 -125,-0.1 -118,-0.1 0.189 80.9 144.4-112.1 17.9 40.3 48.0 41.3 279 279 A S < - 0 0 3 -3,-1.4 -115,-0.2 -126,-0.1 2,-0.2 -0.283 33.4-156.0 -56.9 133.9 42.8 50.4 42.9 280 280 A N > - 0 0 61 -120,-0.1 4,-2.3 -119,-0.1 3,-0.3 -0.493 35.8 -88.0-101.9-178.6 46.1 48.7 43.8 281 281 A F H > S+ 0 0 2 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.865 127.8 53.1 -59.8 -38.6 48.7 49.7 46.5 282 282 A S H > S+ 0 0 55 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.870 109.8 48.5 -63.2 -38.8 50.5 51.9 44.0 283 283 A Q H > S+ 0 0 91 -3,-0.3 4,-2.7 2,-0.2 -2,-0.2 0.860 107.2 55.1 -72.0 -35.4 47.3 53.7 43.2 284 284 A L H X S+ 0 0 0 -4,-2.3 4,-2.9 2,-0.2 5,-0.2 0.911 106.7 51.7 -59.7 -45.0 46.5 54.2 46.9 285 285 A R H X S+ 0 0 35 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.953 113.0 44.5 -54.3 -50.5 49.9 55.9 47.3 286 286 A A H X S+ 0 0 60 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.850 113.6 50.7 -62.8 -39.8 49.0 58.2 44.3 287 287 A A H X S+ 0 0 7 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.903 113.2 44.9 -64.0 -44.0 45.5 58.8 45.7 288 288 A A H X S+ 0 0 0 -4,-2.9 4,-2.2 2,-0.2 -2,-0.2 0.862 113.8 49.3 -70.3 -38.1 46.9 59.7 49.2 289 289 A V H X S+ 0 0 28 -4,-2.5 4,-2.0 -5,-0.2 -2,-0.2 0.935 113.4 47.1 -64.0 -46.0 49.6 61.9 47.7 290 290 A Q H X S+ 0 0 81 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.913 112.0 50.5 -62.1 -43.9 47.1 63.7 45.5 291 291 A S H X S+ 0 0 0 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.915 110.4 47.8 -60.7 -47.8 44.7 64.1 48.5 292 292 A A H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 5,-0.4 0.853 111.8 53.0 -61.5 -34.6 47.4 65.6 50.7 293 293 A T H X S+ 0 0 38 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.919 108.2 48.9 -65.3 -48.6 48.3 67.9 47.8 294 294 A D H < S+ 0 0 63 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.859 120.7 37.7 -54.6 -39.7 44.7 69.2 47.4 295 295 A L H < S+ 0 0 70 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.841 134.9 11.5 -88.8 -37.3 44.4 69.8 51.1 296 296 A Y H < S- 0 0 62 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.447 107.9 -95.0-127.1 -5.1 47.8 71.2 52.2 297 297 A G >< - 0 0 31 -4,-1.7 3,-1.6 -5,-0.4 6,-0.4 0.146 34.9 -89.5 95.0 148.5 49.8 72.0 49.0 298 298 A S T 3 S+ 0 0 82 1,-0.3 -1,-0.1 -5,-0.1 -5,-0.1 0.688 124.8 46.6 -67.3 -24.7 52.3 70.0 47.0 299 299 A T T 3 S+ 0 0 142 -6,-0.1 -1,-0.3 -3,-0.1 -2,-0.1 0.189 90.9 122.5 -99.5 15.1 55.4 71.3 48.9 300 300 A S S <> S- 0 0 17 -3,-1.6 4,-1.7 1,-0.1 -3,-0.1 -0.241 74.6-120.1 -73.3 162.3 53.8 70.7 52.3 301 301 A Q H > S+ 0 0 99 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.792 113.9 61.8 -63.7 -32.4 55.0 68.5 55.2 302 302 A E H > S+ 0 0 23 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.931 106.3 42.3 -64.9 -47.1 51.8 66.5 54.8 303 303 A V H > S+ 0 0 2 -6,-0.4 4,-2.2 -11,-0.2 -1,-0.2 0.902 113.6 53.5 -61.9 -45.0 52.6 65.5 51.2 304 304 A A H X S+ 0 0 43 -4,-1.7 4,-2.3 1,-0.2 -2,-0.2 0.887 109.4 48.6 -57.5 -42.4 56.3 64.8 52.2 305 305 A S H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.837 107.3 53.9 -70.4 -37.8 55.2 62.5 55.0 306 306 A V H X S+ 0 0 0 -4,-1.7 4,-2.5 2,-0.2 5,-0.2 0.946 111.9 46.4 -57.8 -49.1 52.7 60.5 52.9 307 307 A K H X S+ 0 0 87 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.913 114.2 47.2 -58.7 -47.6 55.5 59.8 50.4 308 308 A Q H X S+ 0 0 73 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.871 110.7 52.2 -62.0 -40.8 57.9 58.9 53.2 309 309 A A H X S+ 0 0 0 -4,-2.7 4,-1.2 2,-0.2 -2,-0.2 0.933 113.6 43.0 -62.7 -45.7 55.3 56.6 54.8 310 310 A F H <>S+ 0 0 0 -4,-2.5 5,-2.5 2,-0.2 3,-0.3 0.894 112.0 54.2 -69.4 -36.8 54.7 54.8 51.6 311 311 A D H ><5S+ 0 0 44 -4,-2.6 3,-1.7 -5,-0.2 -2,-0.2 0.930 104.6 56.5 -54.8 -46.7 58.5 54.7 50.9 312 312 A A H 3<5S+ 0 0 0 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.795 109.5 44.1 -57.8 -33.9 58.9 53.0 54.3 313 313 A V T 3<5S- 0 0 0 -4,-1.2 -96,-2.7 -3,-0.3 -1,-0.3 0.221 117.3-110.6 -98.9 14.6 56.6 50.2 53.4 314 314 A G T < 5S+ 0 0 16 -3,-1.7 2,-0.6 -98,-0.2 -3,-0.2 0.726 72.0 138.1 66.6 26.2 58.1 49.7 50.0 315 315 A V < 0 0 4 -5,-2.5 -1,-0.2 -6,-0.1 -2,-0.2 -0.915 360.0 360.0-107.1 111.6 55.0 51.0 48.1 316 316 A K 0 0 156 -2,-0.6 -1,-0.1 -3,-0.1 -5,-0.1 0.478 360.0 360.0-106.1 360.0 55.9 53.2 45.1 317 ! 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 1001 A V 0 0 6 0, 0.0 -204,-0.1 0, 0.0 -206,-0.1 0.000 360.0 360.0 360.0 -22.1 36.4 41.9 61.0 319 1002 A K 0 0 99 -206,-0.4 -206,-0.1 -208,-0.1 -117,-0.0 -0.880 360.0 360.0-139.6 360.0 38.8 38.9 60.4