==== 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 18-MAR-03 1OS0 . COMPND 2 MOLECULE: THERMOLYSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS THERMOPROTEOLYTICUS; . AUTHOR M.SELKTI,A.TOMAS,T.PRANGE . 317 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12556.0 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 . 30 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 104 32.8 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 2 0 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 83 0, 0.0 2,-0.5 0, 0.0 23,-0.0 0.000 360.0 360.0 360.0 141.2 8.3 52.2 0.1 2 2 A T + 0 0 136 23,-0.1 2,-0.3 21,-0.0 21,-0.0 -0.819 360.0 106.7 -88.6 131.0 6.2 55.3 0.6 3 3 A G - 0 0 35 -2,-0.5 2,-0.5 23,-0.0 22,-0.2 -0.962 67.5 -55.4-176.9-168.1 6.5 56.5 4.2 4 4 A T E -A 24 0A 95 20,-2.6 20,-3.2 -2,-0.3 2,-0.2 -0.856 48.4-121.2 -99.1 129.5 7.9 58.9 6.7 5 5 A S E +A 23 0A 69 -2,-0.5 2,-0.3 18,-0.2 18,-0.2 -0.371 46.1 150.4 -66.8 136.3 11.6 59.6 7.0 6 6 A T E -A 22 0A 50 16,-2.5 16,-1.9 -2,-0.2 2,-0.4 -0.850 40.5-107.4-151.5-173.2 13.1 58.8 10.4 7 7 A V E -A 21 0A 78 -2,-0.3 14,-0.2 14,-0.2 2,-0.2 -0.993 27.4-171.8-132.9 126.9 16.3 57.8 12.1 8 8 A G E -A 20 0A 3 12,-4.0 12,-2.3 -2,-0.4 2,-0.4 -0.516 14.1-133.5-107.5 178.2 17.0 54.4 13.7 9 9 A V E +Ab 19 61A 30 51,-1.6 53,-3.1 10,-0.3 2,-0.3 -0.988 32.5 142.8-133.2 142.3 19.8 53.1 15.9 10 10 A G E -Ab 18 62A 0 8,-2.7 8,-2.9 -2,-0.4 2,-0.4 -0.926 41.6-100.1-158.8-169.4 21.8 49.9 15.7 11 11 A R E -A 17 0A 109 51,-2.0 6,-0.2 -2,-0.3 60,-0.2 -0.982 32.0-140.3-126.2 133.7 25.1 48.2 16.0 12 12 A G > - 0 0 4 4,-2.8 3,-2.3 -2,-0.4 56,-0.2 -0.139 38.4 -81.1 -87.1-174.9 27.4 47.2 13.2 13 13 A V T 3 S+ 0 0 32 55,-0.5 122,-0.1 1,-0.3 55,-0.1 0.809 129.7 49.4 -54.3 -38.3 29.6 44.1 12.5 14 14 A L T 3 S- 0 0 75 54,-0.1 -1,-0.3 121,-0.1 121,-0.0 0.368 122.4-104.4 -88.9 6.4 32.4 45.3 14.7 15 15 A G S < S+ 0 0 46 -3,-2.3 2,-0.3 1,-0.3 -2,-0.1 0.533 73.2 142.9 85.0 9.6 29.9 46.1 17.6 16 16 A D - 0 0 48 1,-0.0 -4,-2.8 -5,-0.0 2,-0.3 -0.625 48.2-126.1 -84.8 141.5 29.9 49.8 17.1 17 17 A Q E +A 11 0A 121 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.3 -0.654 37.8 160.8 -86.3 136.5 26.7 51.8 17.7 18 18 A K E -A 10 0A 17 -8,-2.9 -8,-2.7 -2,-0.3 2,-0.3 -0.994 36.2-115.6-151.3 159.5 25.5 54.1 14.9 19 19 A N E -A 9 0A 104 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.3 -0.742 30.5-163.6 -94.7 147.6 22.4 55.9 13.7 20 20 A I E -A 8 0A 4 -12,-2.3 -12,-4.0 -2,-0.3 2,-0.5 -0.980 23.1-114.8-135.1 145.1 20.8 55.0 10.4 21 21 A N E +A 7 0A 41 -2,-0.3 -14,-0.2 -14,-0.2 2,-0.2 -0.686 45.3 169.0 -79.8 119.5 18.2 56.7 8.1 22 22 A T E -A 6 0A 1 -16,-1.9 -16,-2.5 -2,-0.5 2,-0.4 -0.665 29.0-127.8-125.0 174.9 15.1 54.6 7.9 23 23 A T E -AC 5 29A 0 6,-1.8 6,-2.8 -18,-0.2 2,-0.5 -0.999 17.6-142.4-132.2 131.4 11.5 54.9 6.6 24 24 A Y E +AC 4 28A 97 -20,-3.2 -20,-2.6 -2,-0.4 4,-0.2 -0.830 40.3 135.3-103.2 128.2 8.3 54.3 8.5 25 25 A S S S- 0 0 47 2,-2.7 2,-2.0 -2,-0.5 -23,-0.1 -0.453 94.7 -49.3-165.3 83.3 5.2 52.7 7.1 26 26 A T S S+ 0 0 112 -2,-0.1 2,-0.2 32,-0.0 -2,-0.1 -0.448 139.9 38.5 77.0 -56.7 3.8 50.1 9.4 27 27 A Y S S- 0 0 118 -2,-2.0 -2,-2.7 -4,-0.1 2,-0.5 -0.675 93.6-112.9-104.6 164.7 7.3 48.7 9.7 28 28 A Y E -CD 24 57A 58 29,-3.0 29,-2.8 -2,-0.2 2,-0.3 -0.939 39.6-160.2 -98.2 125.1 10.6 50.6 9.8 29 29 A Y E -CD 23 56A 39 -6,-2.8 2,-2.1 -2,-0.5 -6,-1.8 -0.772 29.0-114.1-109.7 150.7 12.6 49.9 6.6 30 30 A L S S+ 0 0 0 25,-1.8 11,-2.3 11,-0.3 2,-0.4 -0.606 72.4 128.4 -82.8 77.9 16.2 50.3 5.6 31 31 A Q E -E 40 0B 9 -2,-2.1 2,-0.7 9,-0.2 9,-0.2 -0.964 44.8-159.3-139.6 116.0 15.4 53.0 3.2 32 32 A D E +E 39 0B 2 7,-2.6 7,-1.5 -2,-0.4 3,-0.5 -0.890 11.0 179.0 -99.7 109.7 17.3 56.3 3.3 33 33 A N + 0 0 60 -2,-0.7 -1,-0.1 -11,-0.3 5,-0.1 0.459 67.9 78.0 -91.2 -0.8 15.4 59.1 1.6 34 34 A T S S+ 0 0 87 1,-0.1 2,-0.5 5,-0.1 -1,-0.2 0.563 85.0 65.9 -86.2 -5.2 18.0 61.8 2.3 35 35 A R S > S- 0 0 44 -3,-0.5 3,-2.1 1,-0.1 -1,-0.1 -0.928 110.2 -67.2-125.3 114.0 20.4 60.8 -0.4 36 36 A G T 3 S- 0 0 28 -2,-0.5 62,-0.1 1,-0.3 3,-0.1 -0.144 111.8 -18.8 48.7-135.2 19.6 61.0 -4.1 37 37 A D T 3 S- 0 0 107 60,-1.5 -1,-0.3 1,-0.3 62,-0.2 0.283 119.6 -83.0 -85.4 12.4 16.8 58.6 -5.2 38 38 A G < - 0 0 2 -3,-2.1 62,-2.5 60,-0.2 2,-0.5 -0.089 27.7-105.2 112.3 155.2 17.5 56.6 -2.0 39 39 A I E -Ef 32 100B 0 -7,-1.5 -7,-2.6 60,-0.2 2,-0.4 -0.994 36.8-169.5-118.2 124.2 19.6 53.9 -0.4 40 40 A F E -Ef 31 101B 21 60,-3.0 62,-2.3 -2,-0.5 2,-0.5 -0.961 7.2-164.3-121.4 128.0 17.9 50.6 -0.1 41 41 A T E - f 0 102B 0 -11,-2.3 14,-2.6 -2,-0.4 -11,-0.3 -0.965 11.1-165.8-121.9 132.8 19.1 47.5 1.9 42 42 A Y E -Gf 54 103B 27 60,-3.1 62,-2.4 -2,-0.5 2,-0.6 -0.826 20.8-128.9-118.9 148.9 17.7 44.1 1.4 43 43 A D E -Gf 53 104B 25 10,-2.8 10,-2.0 -2,-0.3 62,-0.2 -0.878 15.2-175.2 -94.8 115.4 17.8 40.7 3.2 44 44 A A > - 0 0 3 60,-2.5 3,-2.2 -2,-0.6 5,-0.3 0.503 30.4-141.3 -87.4 -5.2 18.8 37.8 0.9 45 45 A K T 3 - 0 0 108 59,-0.3 61,-0.1 1,-0.3 60,-0.1 0.750 62.3 -57.3 55.0 37.6 18.1 35.3 3.8 46 46 A Y T 3 S+ 0 0 106 59,-2.7 -1,-0.3 1,-0.3 60,-0.2 0.502 115.7 108.2 73.1 9.8 21.0 33.0 3.0 47 47 A R S < S- 0 0 174 -3,-2.2 60,-2.5 58,-0.3 -1,-0.3 -0.459 71.4-128.8-105.8-176.9 19.8 32.4 -0.5 48 48 A T S S+ 0 0 80 58,-0.2 2,-0.4 -2,-0.2 -3,-0.1 0.302 70.6 109.7-119.5 6.2 21.2 33.7 -3.9 49 49 A T S S- 0 0 96 -5,-0.3 -2,-0.2 2,-0.0 58,-0.1 -0.672 70.9 -96.3 -81.5 137.6 18.0 35.1 -5.4 50 50 A L S S- 0 0 58 -2,-0.4 -2,-0.1 1,-0.2 71,-0.0 -0.880 79.8 -5.5-124.4 152.8 18.3 38.9 -5.5 51 51 A P S S- 0 0 45 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.985 78.9-167.9 -81.5 -13.3 17.6 41.4 -4.3 52 52 A G - 0 0 33 -8,-0.1 2,-0.4 51,-0.1 -8,-0.2 -0.778 46.9 -22.9 99.1-152.7 15.5 39.6 -1.7 53 53 A S E -G 43 0B 56 -10,-2.0 -10,-2.8 -2,-0.3 -8,-0.1 -0.840 66.9-106.8-101.5 129.4 13.2 41.5 0.7 54 54 A L E -G 42 0B 37 -2,-0.4 -12,-0.3 -12,-0.2 2,-0.2 -0.321 54.2 -97.4 -51.6 128.6 13.5 45.2 1.6 55 55 A W - 0 0 10 -14,-2.6 -25,-1.8 -25,-0.3 2,-0.4 -0.313 49.3-173.2 -61.9 120.1 14.8 45.1 5.2 56 56 A A E -D 29 0A 44 -2,-0.2 2,-0.3 -27,-0.2 -27,-0.2 -0.912 8.5-179.7-120.7 140.4 11.9 45.6 7.7 57 57 A D E -D 28 0A 22 -29,-2.8 -29,-3.0 -2,-0.4 5,-0.1 -0.993 24.1-141.8-138.9 142.6 12.1 46.0 11.4 58 58 A A S S+ 0 0 74 -2,-0.3 -1,-0.1 -31,-0.2 -29,-0.1 0.760 94.3 22.8 -79.9 -26.0 9.4 46.4 14.0 59 59 A D S S- 0 0 89 2,-0.3 -1,-0.2 -31,-0.1 3,-0.1 0.409 96.0-113.6-129.5 7.3 10.9 48.9 16.4 60 60 A N S S+ 0 0 19 1,-0.2 -51,-1.6 -32,-0.2 2,-0.4 0.667 81.9 115.1 69.1 20.4 13.6 50.9 14.5 61 61 A Q E -b 9 0A 99 -53,-0.2 2,-0.3 -51,-0.0 -2,-0.3 -0.990 45.4-169.9-119.3 127.1 16.3 49.4 16.8 62 62 A F E +b 10 0A 0 -53,-3.1 -51,-2.0 -2,-0.4 9,-0.1 -0.543 40.7 124.1-123.2 65.5 18.9 47.2 15.1 63 63 A F + 0 0 65 -2,-0.3 -1,-0.1 -53,-0.2 2,-0.1 0.296 40.3 113.2-104.6 4.6 20.9 45.5 17.8 64 64 A A S >> S- 0 0 50 -3,-0.2 3,-0.8 1,-0.1 4,-0.8 -0.494 74.1-124.3 -77.4 151.7 20.3 41.9 16.8 65 65 A S G >4 S+ 0 0 116 1,-0.3 3,-1.0 2,-0.2 -1,-0.1 0.893 114.0 55.7 -61.6 -40.2 23.2 39.9 15.5 66 66 A Y G 34 S+ 0 0 67 1,-0.2 4,-0.3 2,-0.1 -1,-0.3 0.762 104.5 57.1 -60.7 -25.4 21.4 39.2 12.3 67 67 A D G X> S+ 0 0 17 -3,-0.8 4,-2.3 1,-0.2 3,-0.8 0.722 83.2 85.9 -76.1 -27.6 21.0 43.0 11.8 68 68 A A H S+ 0 0 5 0, 0.0 4,-2.0 0, 0.0 -1,-0.3 0.838 113.3 51.9 -66.1 -27.3 25.6 43.4 8.3 70 70 A A H <> S+ 0 0 0 -3,-0.8 4,-2.3 -4,-0.3 5,-0.2 0.921 107.6 52.6 -71.2 -42.8 22.5 45.3 7.2 71 71 A V H X S+ 0 0 0 -4,-2.3 4,-2.6 -60,-0.2 5,-0.2 0.941 113.8 41.9 -53.9 -53.6 23.3 48.2 9.5 72 72 A D H X S+ 0 0 0 -4,-2.1 4,-2.8 2,-0.2 5,-0.4 0.860 112.7 51.9 -68.5 -39.3 26.8 48.6 8.1 73 73 A A H X S+ 0 0 0 -4,-2.0 4,-1.6 -5,-0.3 -1,-0.2 0.939 114.8 44.1 -61.6 -41.5 25.9 48.1 4.4 74 74 A H H X S+ 0 0 3 -4,-2.3 4,-1.4 2,-0.2 -2,-0.2 0.943 118.1 43.0 -67.8 -50.2 23.2 50.8 4.7 75 75 A Y H X S+ 0 0 92 -4,-2.6 4,-2.1 -5,-0.2 -2,-0.2 0.900 115.2 47.4 -65.4 -44.6 25.4 53.2 6.7 76 76 A Y H X S+ 0 0 5 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.814 106.5 56.9 -75.4 -28.4 28.6 52.8 4.6 77 77 A A H X S+ 0 0 0 -4,-1.6 4,-2.3 -5,-0.4 -1,-0.2 0.923 107.9 50.9 -61.0 -40.0 26.8 53.2 1.4 78 78 A G H X S+ 0 0 0 -4,-1.4 4,-2.5 1,-0.2 -2,-0.2 0.950 109.5 48.1 -63.5 -47.1 25.6 56.5 2.7 79 79 A V H X S+ 0 0 17 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.899 111.3 51.3 -57.9 -40.9 29.1 57.6 3.7 80 80 A T H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 5,-0.2 0.905 108.8 50.7 -65.6 -40.9 30.4 56.6 0.2 81 81 A Y H X S+ 0 0 14 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.931 109.2 51.8 -59.3 -46.0 27.6 58.6 -1.5 82 82 A D H X S+ 0 0 36 -4,-2.5 4,-3.2 1,-0.2 5,-0.4 0.890 107.4 53.6 -62.1 -36.6 28.6 61.6 0.7 83 83 A Y H X>S+ 0 0 11 -4,-2.1 4,-2.9 1,-0.2 5,-0.8 0.959 110.7 44.0 -59.7 -53.8 32.2 61.3 -0.4 84 84 A Y H X5S+ 0 0 6 -4,-2.2 6,-2.7 1,-0.2 4,-0.8 0.880 119.7 42.9 -63.7 -34.0 31.5 61.3 -4.1 85 85 A K H X5S+ 0 0 90 -4,-2.1 4,-1.0 4,-0.3 -2,-0.2 0.961 121.1 37.6 -76.2 -48.0 29.0 64.1 -3.8 86 86 A N H <5S+ 0 0 92 -4,-3.2 -3,-0.2 -5,-0.2 -2,-0.2 0.837 128.9 30.9 -74.2 -36.9 31.0 66.3 -1.4 87 87 A V H <5S+ 0 0 50 -4,-2.9 -3,-0.2 -5,-0.4 -2,-0.1 0.876 136.2 20.1 -93.1 -38.4 34.4 65.7 -2.8 88 88 A H H < S- 0 0 7 -2,-0.9 3,-0.5 -11,-0.2 7,-0.1 -0.042 91.7 -55.2 61.6-169.1 25.4 58.6 -7.1 93 93 A Y T 3 S+ 0 0 21 5,-0.3 58,-0.2 1,-0.2 -1,-0.2 0.811 139.4 43.5 -76.5 -26.4 27.2 56.2 -9.3 94 94 A D T 3 S- 0 0 49 -3,-0.2 -1,-0.2 4,-0.1 -2,-0.2 0.482 109.2-118.3 -92.7 -2.9 25.6 57.2 -12.5 95 95 A G S < S+ 0 0 33 -3,-0.5 -4,-0.3 -4,-0.5 -3,-0.2 0.523 101.2 80.6 78.7 3.2 25.9 60.9 -11.8 96 96 A N S S- 0 0 127 -5,-0.3 -4,-0.2 -6,-0.1 -3,-0.1 -0.026 114.0 -93.1-130.5 30.8 22.1 61.4 -11.8 97 97 A N - 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0 0 23 -5,-1.9 -1,-0.2 -6,-0.1 -2,-0.2 -0.713 62.4 -99.8 -94.3 149.7 51.2 40.9 -5.2 214 214 A P - 0 0 11 0, 0.0 25,-0.2 0, 0.0 -1,-0.1 -0.283 26.2-174.3 -66.8 145.2 53.6 42.7 -7.7 215 215 A D S S+ 0 0 15 1,-0.2 2,-0.3 -7,-0.1 18,-0.0 0.145 73.2 50.5-123.7 14.4 54.9 46.1 -7.0 216 216 A H S > S- 0 0 39 98,-0.1 3,-2.1 1,-0.1 98,-0.2 -0.963 79.9-124.8-157.6 141.2 56.7 46.4 -10.3 217 217 A Y G > S+ 0 0 58 96,-2.6 3,-1.5 1,-0.3 97,-0.1 0.768 110.0 62.9 -60.1 -36.9 55.6 45.9 -14.0 218 218 A S G 3 S+ 0 0 90 1,-0.3 -1,-0.3 95,-0.1 96,-0.1 0.628 103.6 51.3 -53.2 -25.9 58.5 43.4 -14.5 219 219 A K G < S+ 0 0 120 -3,-2.1 -1,-0.3 2,-0.1 -2,-0.2 0.208 82.5 138.1-106.0 13.2 56.8 41.2 -11.9 220 220 A R < - 0 0 97 -3,-1.5 2,-0.4 1,-0.1 -3,-0.1 -0.235 58.9-113.3 -63.3 146.4 53.4 41.3 -13.5 221 221 A Y - 0 0 67 8,-0.2 -1,-0.1 1,-0.1 12,-0.1 -0.648 30.5-177.3 -77.2 129.5 51.3 38.1 -13.6 222 222 A T + 0 0 116 -2,-0.4 -1,-0.1 -63,-0.0 -2,-0.1 0.385 46.0 97.0-115.3 3.5 50.8 36.9 -17.2 223 223 A G S S- 0 0 25 1,-0.1 -2,-0.0 2,-0.0 0, 0.0 0.071 77.9-109.4 -80.6-163.6 48.6 33.8 -16.8 224 224 A T S >> S+ 0 0 127 4,-0.1 3,-0.6 3,-0.1 4,-0.6 0.505 74.9 109.0-113.6 -8.2 44.8 33.4 -17.1 225 225 A Q H >> S+ 0 0 142 1,-0.2 4,-2.2 2,-0.2 3,-1.2 -0.314 81.0 23.1 -64.1 159.3 43.6 32.8 -13.5 226 226 A D H 3> S- 0 0 52 1,-0.3 4,-2.7 2,-0.2 5,-0.4 0.863 140.0 -59.3 50.8 43.9 41.7 35.6 -11.8 227 227 A N H <4 S- 0 0 87 -3,-0.6 -68,-2.4 1,-0.2 -1,-0.3 0.819 112.8 -37.3 53.5 38.3 40.7 37.0 -15.2 228 228 A G H << S- 0 0 5 -3,-1.2 -1,-0.2 -4,-0.6 -2,-0.2 0.829 115.8 -58.5 83.5 31.0 44.3 37.5 -16.2 229 229 A G H >X S+ 0 0 0 -4,-2.2 4,-2.8 3,-0.1 3,-1.0 0.814 75.4 161.5 70.8 45.5 45.2 38.6 -12.6 230 230 A V T 3< S+ 0 0 0 -4,-2.7 4,-0.4 1,-0.3 -63,-0.1 0.863 81.4 41.6 -67.4 -31.8 42.9 41.5 -12.0 231 231 A H T 34 S+ 0 0 12 -5,-0.4 -1,-0.3 2,-0.1 -4,-0.1 0.509 120.6 46.5 -88.6 -2.1 43.3 41.4 -8.2 232 232 A I T X4 S+ 0 0 44 -3,-1.0 3,-1.9 -6,-0.2 4,-0.2 0.850 111.8 42.6-100.0 -58.7 47.0 40.6 -8.6 233 233 A N T >X S+ 0 0 9 -4,-2.8 3,-1.3 1,-0.3 4,-0.7 0.622 95.6 81.7 -73.0 -10.3 48.4 43.1 -11.1 234 234 A S H 3> S+ 0 0 0 -4,-0.4 4,-2.5 -5,-0.4 3,-0.4 0.790 77.0 73.3 -59.1 -28.5 46.3 45.8 -9.4 235 235 A G H <> S+ 0 0 1 -3,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.818 88.6 59.2 -57.5 -30.1 49.2 45.9 -6.9 236 236 A I H <> S+ 0 0 0 -3,-1.3 4,-1.5 -4,-0.2 -1,-0.2 0.911 111.8 38.2 -66.1 -43.1 51.3 47.7 -9.5 237 237 A I H X S+ 0 0 0 -4,-0.7 4,-2.6 -3,-0.4 -2,-0.2 0.835 112.8 57.1 -75.6 -36.0 48.9 50.6 -9.8 238 238 A N H X S+ 0 0 1 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.917 107.8 48.3 -61.5 -43.8 48.1 50.6 -6.0 239 239 A K H X S+ 0 0 22 -4,-2.1 4,-2.6 -5,-0.2 -1,-0.2 0.932 110.6 51.3 -61.5 -45.5 51.7 51.1 -5.3 240 240 A A H X S+ 0 0 0 -4,-1.5 4,-2.2 1,-0.2 -2,-0.2 0.904 110.8 48.2 -55.8 -46.5 51.9 53.9 -7.8 241 241 A A H X S+ 0 0 0 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.898 110.5 51.9 -62.7 -41.6 48.9 55.6 -6.2 242 242 A Y H X>S+ 0 0 56 -4,-2.5 4,-3.2 -37,-0.2 5,-0.5 0.922 110.2 48.8 -60.9 -43.8 50.4 55.2 -2.8 243 243 A L H X5S+ 0 0 3 -4,-2.6 4,-1.9 3,-0.2 -2,-0.2 0.902 107.3 54.1 -64.7 -41.4 53.7 56.8 -3.9 244 244 A I H <5S+ 0 0 1 -4,-2.2 14,-3.3 -5,-0.2 15,-0.5 0.931 119.1 35.5 -58.9 -42.3 51.9 59.8 -5.6 245 245 A S H <5S+ 0 0 4 -4,-1.9 14,-2.0 12,-0.3 -2,-0.2 0.959 134.3 20.4 -72.8 -54.7 50.2 60.5 -2.3 246 246 A Q H <5S- 0 0 94 -4,-3.2 11,-0.4 -5,-0.2 -3,-0.2 0.701 95.2-139.9 -98.2 -23.9 52.7 59.6 0.3 247 247 A G << + 0 0 11 -4,-1.9 2,-0.2 -5,-0.5 9,-0.2 -0.130 32.8 148.5 84.7 173.2 56.0 59.7 -1.5 248 248 A G E -L 255 0E 31 7,-2.3 7,-2.9 -5,-0.1 2,-0.5 -0.789 48.3 -85.2 147.6 172.7 59.0 57.4 -1.2 249 249 A T E +L 254 0E 94 5,-0.2 2,-0.5 -2,-0.2 5,-0.2 -0.972 41.6 178.5-114.7 119.2 61.9 55.7 -2.9 250 250 A H E > S-L 253 0E 16 3,-2.5 3,-2.1 -2,-0.5 -2,-0.0 -0.991 70.3 -15.5-128.7 120.6 60.9 52.5 -4.7 251 251 A Y T 3 S- 0 0 115 -2,-0.5 -1,-0.2 1,-0.3 3,-0.1 0.884 130.8 -51.5 48.5 46.2 63.5 50.5 -6.7 252 252 A G T 3 S+ 0 0 67 1,-0.2 2,-0.5 -3,-0.1 -1,-0.3 0.385 113.1 118.6 80.4 -6.2 65.8 53.5 -6.6 253 253 A V E < -L 250 0E 39 -3,-2.1 -3,-2.5 59,-0.1 2,-0.4 -0.848 53.7-146.3-101.3 126.6 63.3 55.9 -7.9 254 254 A S E -L 249 0E 67 -2,-0.5 2,-0.4 -5,-0.2 -5,-0.2 -0.746 14.1-171.7 -96.5 132.2 62.4 58.8 -5.6 255 255 A V E -L 248 0E 8 -7,-2.9 -7,-2.3 -2,-0.4 2,-0.6 -0.972 17.4-141.4-123.3 127.2 58.8 60.3 -5.6 256 256 A V - 0 0 89 -2,-0.4 -9,-0.3 -9,-0.2 53,-0.1 -0.804 28.1-126.9 -87.0 124.9 57.7 63.4 -3.8 257 257 A G - 0 0 29 -2,-0.6 -12,-0.3 -11,-0.4 -11,-0.2 -0.380 21.8-171.5 -69.6 142.8 54.3 62.9 -2.3 258 258 A I - 0 0 27 -14,-3.3 4,-0.3 1,-0.2 -13,-0.2 0.432 46.5-106.6-113.0 -1.3 51.5 65.4 -3.1 259 259 A G > - 0 0 26 -14,-2.0 4,-1.6 -15,-0.5 -1,-0.2 -0.012 29.0 -77.5 99.4 159.3 48.8 64.1 -0.7 260 260 A R H > S+ 0 0 90 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.818 118.8 56.9 -65.9 -39.5 45.6 62.2 -0.8 261 261 A D H > S+ 0 0 115 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.936 110.9 43.7 -64.0 -44.4 43.2 65.0 -1.9 262 262 A K H > S+ 0 0 74 -4,-0.3 4,-2.7 2,-0.2 5,-0.3 0.888 110.3 57.0 -68.3 -35.8 45.2 65.6 -5.1 263 263 A L H X S+ 0 0 1 -4,-1.6 4,-2.7 1,-0.2 5,-0.3 0.960 109.6 45.6 -54.3 -50.7 45.6 61.9 -5.7 264 264 A G H X S+ 0 0 3 -4,-2.5 4,-2.7 1,-0.2 5,-0.3 0.914 111.9 51.3 -60.5 -45.2 41.8 61.6 -5.7 265 265 A K H X S+ 0 0 95 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.935 112.7 45.3 -62.9 -43.1 41.3 64.6 -7.9 266 266 A I H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.945 116.4 43.3 -67.4 -44.1 43.8 63.3 -10.5 267 267 A F H X S+ 0 0 1 -4,-2.7 4,-2.4 -5,-0.3 -2,-0.2 0.855 112.2 53.6 -74.4 -29.6 42.5 59.8 -10.6 268 268 A Y H X S+ 0 0 34 -4,-2.7 4,-2.4 -5,-0.3 -1,-0.2 0.926 110.8 47.2 -64.5 -43.2 38.9 60.8 -10.6 269 269 A R H X>S+ 0 0 77 -4,-1.9 4,-2.2 -5,-0.3 5,-0.6 0.915 112.4 49.6 -63.9 -40.7 39.5 63.1 -13.6 270 270 A A H X>S+ 0 0 1 -4,-2.1 5,-2.4 -5,-0.2 4,-1.8 0.943 112.7 47.2 -64.2 -44.5 41.4 60.3 -15.4 271 271 A L H <5S+ 0 0 1 -4,-2.4 -118,-0.5 1,-0.2 -1,-0.2 0.882 120.8 36.0 -61.4 -41.8 38.6 57.9 -14.8 272 272 A T H <5S+ 0 0 38 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.640 129.7 27.1 -92.6 -15.8 35.9 60.2 -15.9 273 273 A Q H <5S+ 0 0 115 -4,-2.2 -3,-0.2 -5,-0.2 -2,-0.2 0.682 129.2 18.3-115.4 -28.7 37.5 62.1 -18.8 274 274 A Y T < - 0 0 62 -2,-0.1 3,-1.9 -122,-0.1 -120,-0.1 -0.773 38.4 -93.3-122.8 165.8 38.3 53.9 -22.1 277 277 A P T 3 S+ 0 0 65 0, 0.0 -121,-2.6 0, 0.0 -123,-0.1 0.801 124.7 38.1 -48.9 -33.2 37.0 50.3 -21.8 278 278 A T T 3 S+ 0 0 99 -123,-0.2 -117,-0.1 -125,-0.1 -118,-0.1 0.156 81.6 144.3-112.4 21.5 40.2 48.9 -23.2 279 279 A S < - 0 0 4 -3,-1.9 -115,-0.2 -126,-0.1 2,-0.2 -0.283 32.3-156.2 -58.7 138.8 42.8 51.2 -21.5 280 280 A N > - 0 0 62 -119,-0.1 4,-2.5 -120,-0.1 5,-0.2 -0.505 35.7 -88.7-106.8-177.9 46.1 49.5 -20.5 281 281 A F H > S+ 0 0 2 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.899 126.3 51.5 -57.7 -41.2 48.6 50.5 -17.9 282 282 A S H > S+ 0 0 52 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.894 110.6 48.9 -67.1 -35.3 50.6 52.7 -20.3 283 283 A Q H > S+ 0 0 91 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.884 106.6 56.5 -73.3 -31.2 47.4 54.5 -21.3 284 284 A L H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.929 105.4 51.9 -62.3 -38.3 46.5 55.0 -17.6 285 285 A R H X S+ 0 0 38 -4,-2.1 4,-2.7 2,-0.2 5,-0.2 0.945 110.1 48.5 -61.0 -46.2 49.9 56.7 -17.2 286 286 A A H X S+ 0 0 62 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.899 112.3 48.7 -57.2 -44.9 49.1 59.1 -20.1 287 287 A A H X S+ 0 0 8 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.871 111.5 49.6 -64.1 -37.7 45.7 59.8 -18.6 288 288 A A H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 5,-0.2 0.894 112.0 47.1 -73.0 -39.2 47.1 60.5 -15.2 289 289 A V H X S+ 0 0 26 -4,-2.7 4,-2.6 -5,-0.2 -2,-0.2 0.945 113.0 49.1 -65.8 -44.6 49.7 62.8 -16.5 290 290 A Q H X S+ 0 0 86 -4,-2.5 4,-2.8 -5,-0.2 -2,-0.2 0.878 110.7 50.9 -63.4 -36.2 47.2 64.7 -18.7 291 291 A S H X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.914 111.1 46.8 -66.2 -43.6 44.8 65.0 -15.8 292 292 A A H X>S+ 0 0 0 -4,-2.1 4,-3.4 2,-0.2 5,-0.6 0.907 112.4 51.4 -64.2 -40.2 47.5 66.4 -13.5 293 293 A T H X5S+ 0 0 36 -4,-2.6 4,-3.2 -5,-0.2 -2,-0.2 0.976 108.9 50.8 -58.4 -53.6 48.5 68.8 -16.3 294 294 A D H <5S+ 0 0 58 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.840 120.5 35.1 -47.1 -44.4 44.8 69.9 -16.7 295 295 A L H <5S+ 0 0 68 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.828 136.2 14.4 -86.7 -35.0 44.6 70.6 -13.0 296 296 A Y H <5S- 0 0 64 -4,-3.4 -3,-0.2 -5,-0.2 -2,-0.2 0.474 105.7 -98.9-127.6 -7.2 48.0 71.9 -12.1 297 297 A G ><< - 0 0 31 -4,-3.2 3,-1.7 -5,-0.6 6,-0.4 0.158 34.8 -87.1 93.3 147.9 49.9 72.8 -15.2 298 298 A S T 3 S+ 0 0 83 1,-0.3 -1,-0.1 5,-0.1 -5,-0.1 0.670 125.0 45.8 -66.1 -22.7 52.6 70.9 -17.2 299 299 A T T 3 S+ 0 0 139 -3,-0.1 -1,-0.3 -6,-0.1 -2,-0.1 0.172 89.0 121.5-106.9 17.3 55.5 72.2 -15.1 300 300 A S S <> S- 0 0 18 -3,-1.7 4,-1.4 1,-0.1 -3,-0.1 -0.353 72.3-122.9 -74.1 159.4 53.9 71.5 -11.8 301 301 A Q H > S+ 0 0 100 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.850 111.5 62.4 -60.3 -40.1 55.3 69.3 -9.1 302 302 A E H > S+ 0 0 26 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.940 104.9 45.1 -57.4 -47.4 52.1 67.3 -9.2 303 303 A V H > S+ 0 0 3 -6,-0.4 4,-2.0 -11,-0.2 -1,-0.2 0.902 112.1 53.6 -62.5 -36.5 52.8 66.3 -12.8 304 304 A A H X S+ 0 0 39 -4,-1.4 4,-2.4 1,-0.2 -2,-0.2 0.924 108.5 48.9 -64.6 -43.0 56.3 65.6 -11.8 305 305 A S H X S+ 0 0 0 -4,-3.0 4,-2.4 2,-0.2 -1,-0.2 0.871 107.0 54.8 -64.7 -39.3 55.3 63.2 -9.0 306 306 A V H X S+ 0 0 0 -4,-2.0 4,-2.0 -5,-0.2 -1,-0.2 0.939 110.8 47.0 -60.2 -45.3 52.8 61.4 -11.3 307 307 A K H X S+ 0 0 90 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.921 112.1 48.6 -62.4 -46.8 55.7 60.7 -13.7 308 308 A Q H X S+ 0 0 75 -4,-2.4 4,-2.8 2,-0.2 -1,-0.2 0.900 109.3 53.6 -59.6 -45.2 58.1 59.6 -11.0 309 309 A A H X S+ 0 0 0 -4,-2.4 4,-1.3 2,-0.2 -1,-0.2 0.908 111.3 43.8 -58.6 -48.2 55.6 57.2 -9.5 310 310 A F H <>S+ 0 0 0 -4,-2.0 5,-2.6 2,-0.2 4,-0.3 0.911 113.2 52.8 -67.5 -37.7 54.8 55.4 -12.7 311 311 A D H ><5S+ 0 0 46 -4,-2.4 3,-1.4 1,-0.2 -2,-0.2 0.913 104.5 57.1 -57.2 -44.7 58.6 55.3 -13.5 312 312 A A H 3<5S+ 0 0 1 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.830 110.3 42.4 -58.1 -34.8 59.1 53.7 -10.0 313 313 A V T 3<5S- 0 0 0 -4,-1.3 -96,-2.6 -3,-0.3 -1,-0.3 0.365 118.6-108.7 -99.3 10.3 56.8 50.8 -10.8 314 314 A G T < 5 + 0 0 21 -3,-1.4 2,-0.7 -4,-0.3 -3,-0.2 0.760 69.8 140.5 81.4 22.1 58.1 50.4 -14.3 315 315 A V < 0 0 3 -5,-2.6 -1,-0.2 1,-0.2 -2,-0.1 -0.869 360.0 360.0-106.1 111.3 55.2 51.7 -16.3 316 316 A K 0 0 154 -2,-0.7 -1,-0.2 -5,-0.1 -5,-0.1 0.664 360.0 360.0-107.5 360.0 56.1 53.8 -19.4 317 ! 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 0.0 318 605 A X 0 0 146 0, 0.0 -206,-0.1 0, 0.0 -87,-0.1 0.000 360.0 360.0 360.0 360.0 38.7 38.8 -3.2