==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 22-FEB-06 2G4Z . COMPND 2 MOLECULE: THERMOLYSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS THERMOPROTEOLYTICUS; . AUTHOR C.MUELLER-DIECKMANN,M.S.WEISS . 316 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12696.0 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 . 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 . 21 6.6 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 . 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 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 88 0, 0.0 2,-0.5 0, 0.0 23,-0.0 0.000 360.0 360.0 360.0 151.2 8.3 51.2 -0.3 2 2 A T + 0 0 132 21,-0.0 2,-0.3 23,-0.0 21,-0.0 -0.778 360.0 107.7 -82.8 128.8 6.3 54.4 0.2 3 3 A G - 0 0 41 -2,-0.5 2,-0.4 22,-0.0 22,-0.2 -0.951 67.0 -63.7-175.7-170.5 6.6 55.7 3.7 4 4 A T E -A 24 0A 88 20,-2.1 20,-3.1 -2,-0.3 2,-0.4 -0.805 49.5-109.6-105.2 151.4 8.0 58.3 6.0 5 5 A S E +A 23 0A 68 -2,-0.4 18,-0.2 18,-0.2 2,-0.2 -0.538 45.2 170.5 -84.0 127.8 11.7 58.8 6.5 6 6 A T E -A 22 0A 30 16,-2.6 16,-2.4 -2,-0.4 2,-0.5 -0.698 30.8-123.4-128.6 178.2 12.9 57.8 9.9 7 7 A V E -A 21 0A 87 14,-0.2 14,-0.2 -2,-0.2 2,-0.2 -0.952 26.3-173.8-133.8 112.4 16.2 57.3 11.7 8 8 A G E -A 20 0A 2 12,-3.3 12,-2.1 -2,-0.5 2,-0.4 -0.462 15.0-135.6 -95.8 174.9 17.0 54.0 13.3 9 9 A V E +Ab 19 61A 32 51,-1.5 53,-3.1 10,-0.2 2,-0.3 -0.996 32.5 148.7-132.5 141.2 20.0 53.1 15.5 10 10 A G E -Ab 18 62A 0 8,-2.6 8,-2.4 -2,-0.4 2,-0.4 -0.890 40.2-105.4-155.7-179.9 22.1 50.0 15.3 11 11 A R E -A 17 0A 101 51,-2.1 60,-0.2 -2,-0.3 6,-0.2 -0.981 30.3-144.5-121.3 136.0 25.4 48.2 15.7 12 12 A G > - 0 0 4 4,-2.2 3,-1.7 -2,-0.4 56,-0.2 -0.167 40.0 -82.7 -88.6-176.4 27.6 47.2 12.8 13 13 A V T 3 S+ 0 0 29 55,-0.5 122,-0.1 1,-0.3 55,-0.1 0.744 127.5 53.5 -63.4 -31.1 29.8 44.1 12.4 14 14 A L T 3 S- 0 0 67 121,-0.1 -1,-0.3 54,-0.1 178,-0.0 0.168 119.7-105.4 -89.7 16.5 32.7 45.7 14.4 15 15 A G S < S+ 0 0 43 -3,-1.7 2,-0.3 1,-0.2 -2,-0.1 0.461 75.3 136.7 71.1 8.6 30.5 46.5 17.4 16 16 A D - 0 0 55 1,-0.0 -4,-2.2 -5,-0.0 2,-0.3 -0.621 51.1-126.2 -84.3 144.5 30.2 50.2 16.8 17 17 A Q E +A 11 0A 127 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.2 -0.653 36.4 162.9 -86.0 138.9 26.9 52.1 17.1 18 18 A K E -A 10 0A 23 -8,-2.4 -8,-2.6 -2,-0.3 2,-0.3 -0.990 37.3-108.6-151.5 156.3 25.6 54.2 14.3 19 19 A N E -A 9 0A 101 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.2 -0.654 30.8-162.6 -81.8 138.6 22.5 55.9 13.0 20 20 A I E -A 8 0A 2 -12,-2.1 -12,-3.3 -2,-0.3 2,-0.5 -0.978 20.6-123.5-122.5 140.4 20.8 54.5 9.9 21 21 A N E +A 7 0A 39 -2,-0.4 -14,-0.2 -14,-0.2 2,-0.2 -0.693 42.5 172.9 -82.0 122.5 18.2 56.2 7.6 22 22 A T E -A 6 0A 1 -16,-2.4 -16,-2.6 -2,-0.5 2,-0.4 -0.664 28.8-126.1-127.1 175.3 15.1 54.0 7.5 23 23 A T E -AC 5 29A 0 6,-2.0 6,-3.4 -18,-0.2 2,-0.5 -0.997 19.0-146.1-129.9 127.8 11.6 54.2 6.1 24 24 A Y E +AC 4 28A 94 -20,-3.1 -20,-2.1 -2,-0.4 4,-0.2 -0.868 39.9 135.2-105.2 125.5 8.5 53.6 8.1 25 25 A S S S- 0 0 42 2,-2.6 2,-2.4 -2,-0.5 -2,-0.0 -0.620 96.9 -45.4-160.9 88.8 5.3 51.9 6.8 26 26 A T S S+ 0 0 110 -2,-0.1 2,-0.2 32,-0.0 -2,-0.1 -0.392 139.9 36.4 74.5 -58.4 4.1 49.4 9.3 27 27 A Y S S- 0 0 116 -2,-2.4 -2,-2.6 -4,-0.1 2,-0.7 -0.709 93.5-108.6-105.9 166.7 7.7 48.1 9.7 28 28 A Y E -CD 24 57A 55 29,-3.2 29,-2.6 -2,-0.2 2,-0.3 -0.901 39.1-159.1 -96.3 122.4 10.9 50.1 9.6 29 29 A Y E -CD 23 56A 40 -6,-3.4 2,-2.0 -2,-0.7 -6,-2.0 -0.776 27.8-116.9-100.6 150.1 12.8 49.4 6.5 30 30 A L S S+ 0 0 0 25,-2.0 11,-2.7 11,-0.3 2,-0.4 -0.553 71.3 128.8 -80.5 75.4 16.5 49.8 5.5 31 31 A Q E -E 40 0B 10 -2,-2.0 2,-0.8 9,-0.2 9,-0.2 -0.956 46.1-158.2-138.2 111.4 15.6 52.3 2.9 32 32 A D E > -E 39 0B 2 7,-3.1 7,-1.6 -2,-0.4 3,-0.6 -0.869 11.3-179.6 -96.8 106.1 17.5 55.6 3.1 33 33 A N T 3 + 0 0 56 -2,-0.8 -1,-0.1 -11,-0.3 5,-0.1 0.471 68.5 79.0 -84.7 -3.9 15.5 58.3 1.3 34 34 A T T 3 S+ 0 0 85 1,-0.1 2,-0.5 5,-0.1 -1,-0.2 0.558 84.5 63.6 -84.0 -6.4 18.1 61.0 1.9 35 35 A R S X S- 0 0 48 -3,-0.6 3,-2.6 1,-0.1 -1,-0.1 -0.948 111.4 -64.3-126.8 110.5 20.5 60.0 -0.9 36 36 A G T 3 S- 0 0 26 -2,-0.5 62,-0.1 1,-0.3 3,-0.1 -0.147 113.1 -18.3 53.5-141.0 19.5 60.1 -4.5 37 37 A D T 3 S- 0 0 109 60,-2.3 -1,-0.3 1,-0.3 62,-0.2 0.308 120.8 -77.3 -79.1 11.5 16.6 57.8 -5.4 38 38 A G < - 0 0 1 -3,-2.6 62,-2.3 60,-0.2 2,-0.5 -0.143 29.2-109.7 118.2 147.0 17.4 55.8 -2.2 39 39 A I E -Ef 32 100B 0 -7,-1.6 -7,-3.1 60,-0.2 2,-0.4 -0.994 36.7-170.5-114.1 128.2 19.7 53.3 -0.6 40 40 A F E -Ef 31 101B 32 60,-2.7 62,-2.1 -2,-0.5 2,-0.4 -0.959 6.9-164.0-123.6 123.8 17.9 49.9 -0.1 41 41 A T E - f 0 102B 0 -11,-2.7 14,-2.9 -2,-0.4 -11,-0.3 -0.941 12.3-163.3-118.7 133.1 19.3 47.0 1.9 42 42 A Y E -Gf 54 103B 32 60,-3.6 62,-2.4 -2,-0.4 2,-0.6 -0.799 20.5-127.2-117.6 154.1 17.9 43.5 1.6 43 43 A D E -Gf 53 104B 20 10,-3.0 10,-2.5 -2,-0.3 62,-0.2 -0.907 15.0-175.1 -97.6 114.8 18.0 40.2 3.4 44 44 A A > - 0 0 4 60,-2.6 3,-2.5 -2,-0.6 5,-0.3 0.516 32.5-141.5 -85.9 -9.2 19.0 37.2 1.2 45 45 A K T 3 - 0 0 108 59,-0.4 61,-0.2 1,-0.3 60,-0.1 0.794 61.3 -54.7 63.8 34.8 18.3 35.0 4.1 46 46 A Y T 3 S+ 0 0 109 59,-2.9 -1,-0.3 1,-0.3 60,-0.2 0.493 117.7 107.2 68.9 10.1 21.2 32.5 3.7 47 47 A R S < S- 0 0 181 -3,-2.5 60,-2.4 58,-0.4 -1,-0.3 -0.432 74.4-127.6-107.8-176.7 20.1 31.9 0.1 48 48 A T + 0 0 81 58,-0.2 2,-0.3 -2,-0.2 -3,-0.1 0.394 68.9 114.2-115.4 5.4 21.3 32.9 -3.2 49 49 A T - 0 0 104 -5,-0.3 -2,-0.1 2,-0.1 58,-0.1 -0.604 69.5-105.1 -76.6 131.6 18.1 34.4 -4.7 50 50 A L S S- 0 0 48 -2,-0.3 -2,-0.1 1,-0.2 71,-0.0 -0.941 85.2 -0.4-118.2 143.6 18.7 38.1 -5.3 51 51 A P S S- 0 0 47 0, 0.0 -1,-0.2 0, 0.0 2,-0.2 -0.991 82.5-171.0 -81.8 -6.2 17.9 40.7 -4.0 52 52 A G - 0 0 32 -8,-0.1 2,-0.4 -10,-0.1 -8,-0.3 -0.577 51.8 -18.2 79.2-153.8 15.8 38.7 -1.3 53 53 A S E -G 43 0B 48 -10,-2.5 -10,-3.0 -2,-0.2 -8,-0.1 -0.714 67.0-108.6-100.5 135.9 13.5 40.8 1.0 54 54 A L E -G 42 0B 35 -2,-0.4 -12,-0.2 -12,-0.2 2,-0.2 -0.261 56.4 -99.3 -57.1 125.5 13.7 44.5 1.6 55 55 A W - 0 0 12 -14,-2.9 -25,-2.0 -25,-0.3 2,-0.4 -0.319 48.6-170.3 -63.5 121.9 15.0 44.5 5.2 56 56 A A E -D 29 0A 46 -27,-0.2 2,-0.3 -2,-0.2 -27,-0.2 -0.923 8.9-176.9-116.3 140.9 12.2 45.0 7.6 57 57 A D E -D 28 0A 23 -29,-2.6 -29,-3.2 -2,-0.4 3,-0.2 -0.993 23.7-142.5-142.6 136.0 12.4 45.6 11.4 58 58 A A S S+ 0 0 74 -2,-0.3 -1,-0.1 -31,-0.2 -29,-0.1 0.849 96.0 21.2 -69.6 -33.1 9.6 46.0 13.9 59 59 A D S S- 0 0 81 2,-0.3 -1,-0.2 -31,-0.1 3,-0.1 0.354 95.9-114.2-125.4 6.8 11.1 48.7 16.2 60 60 A N S S+ 0 0 21 1,-0.2 -51,-1.5 -32,-0.2 2,-0.5 0.668 80.7 118.5 62.1 13.4 13.8 50.6 14.2 61 61 A Q E -b 9 0A 110 -53,-0.2 2,-0.3 -51,-0.0 -2,-0.3 -0.969 43.5-171.4-109.0 128.5 16.5 49.3 16.6 62 62 A F E +b 10 0A 0 -53,-3.1 -51,-2.1 -2,-0.5 9,-0.1 -0.564 41.6 120.2-120.4 68.6 19.1 47.1 14.9 63 63 A F + 0 0 69 -2,-0.3 -1,-0.1 -53,-0.2 2,-0.1 0.288 39.4 112.4-115.0 2.2 21.3 45.6 17.7 64 64 A A S >> S- 0 0 50 -3,-0.2 4,-1.0 1,-0.1 3,-0.7 -0.491 76.8-121.4 -74.4 149.1 20.7 41.8 17.0 65 65 A S G >4 S+ 0 0 115 1,-0.2 3,-1.1 2,-0.2 -1,-0.1 0.926 116.2 57.2 -50.6 -47.4 23.8 39.9 15.7 66 66 A Y G 34 S+ 0 0 74 1,-0.3 4,-0.4 2,-0.1 -1,-0.2 0.795 104.9 54.4 -52.3 -32.1 21.7 39.0 12.5 67 67 A D G X> S+ 0 0 17 -3,-0.7 4,-2.5 1,-0.2 3,-0.6 0.770 86.1 82.5 -74.5 -29.6 21.3 42.8 12.0 68 68 A A H S+ 0 0 4 0, 0.0 4,-2.5 0, 0.0 -1,-0.3 0.888 113.1 50.4 -64.0 -33.9 25.9 43.1 8.4 70 70 A A H <> S+ 0 0 0 -3,-0.6 4,-2.9 -4,-0.4 5,-0.3 0.926 108.3 54.4 -64.4 -44.7 22.7 44.9 7.1 71 71 A V H X S+ 0 0 0 -4,-2.5 4,-2.8 -60,-0.2 5,-0.2 0.937 112.7 41.5 -54.0 -48.8 23.5 47.9 9.3 72 72 A D H X S+ 0 0 0 -4,-2.0 4,-3.0 2,-0.2 5,-0.4 0.904 112.8 52.3 -71.8 -39.3 27.0 48.2 7.8 73 73 A A H X S+ 0 0 0 -4,-2.5 4,-1.7 -5,-0.2 -2,-0.2 0.954 116.6 42.0 -57.8 -44.6 26.0 47.5 4.2 74 74 A H H X S+ 0 0 3 -4,-2.9 4,-1.6 -5,-0.2 -2,-0.2 0.955 118.5 43.4 -65.7 -51.7 23.4 50.2 4.5 75 75 A Y H X S+ 0 0 92 -4,-2.8 4,-1.9 -5,-0.3 -2,-0.2 0.920 115.5 47.5 -65.1 -41.5 25.5 52.7 6.4 76 76 A Y H X S+ 0 0 17 -4,-3.0 4,-2.2 1,-0.2 -1,-0.2 0.817 105.1 57.9 -78.0 -27.7 28.6 52.3 4.3 77 77 A A H X S+ 0 0 0 -4,-1.7 4,-2.9 -5,-0.4 -1,-0.2 0.930 108.2 50.2 -57.9 -36.7 26.7 52.5 1.1 78 78 A G H X S+ 0 0 0 -4,-1.6 4,-2.3 1,-0.2 -2,-0.2 0.910 109.2 49.1 -69.3 -40.2 25.7 55.9 2.5 79 79 A V H X S+ 0 0 15 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.887 112.0 48.4 -67.0 -39.0 29.2 57.0 3.3 80 80 A T H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.935 109.7 52.5 -69.9 -38.6 30.4 55.9 -0.2 81 81 A Y H X S+ 0 0 12 -4,-2.9 4,-2.4 1,-0.2 11,-0.3 0.925 110.1 50.0 -57.5 -44.8 27.5 57.9 -1.8 82 82 A D H X S+ 0 0 39 -4,-2.3 4,-3.1 -5,-0.2 5,-0.5 0.910 108.4 52.5 -65.7 -37.4 28.6 60.9 0.2 83 83 A Y H X>S+ 0 0 9 -4,-2.2 4,-2.7 1,-0.2 5,-1.0 0.978 111.4 45.0 -62.5 -50.9 32.2 60.5 -0.9 84 84 A Y H X5S+ 0 0 4 -4,-2.8 6,-2.4 3,-0.2 4,-1.2 0.930 119.4 41.9 -63.8 -37.9 31.3 60.4 -4.5 85 85 A K H X5S+ 0 0 89 -4,-2.4 4,-1.2 4,-0.3 -2,-0.2 0.966 122.5 35.9 -75.1 -47.7 28.9 63.4 -4.2 86 86 A N H <5S+ 0 0 99 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.845 127.9 33.9 -76.2 -39.6 31.0 65.7 -1.9 87 87 A V H <5S+ 0 0 55 -4,-2.7 -3,-0.2 -5,-0.5 -2,-0.2 0.916 136.2 16.4 -88.0 -43.0 34.4 64.9 -3.3 88 88 A H H < S- 0 0 5 -2,-0.9 3,-0.8 -11,-0.3 7,-0.1 -0.036 92.3 -52.8 62.3-169.0 25.4 57.8 -7.2 93 93 A Y T 3 S+ 0 0 10 5,-0.3 58,-0.2 1,-0.2 -1,-0.2 0.852 138.9 39.8 -72.3 -32.8 27.0 55.2 -9.4 94 94 A D T 3 S- 0 0 45 -3,-0.2 -1,-0.2 56,-0.1 -2,-0.1 0.382 109.2-117.7 -93.4 1.8 25.4 56.3 -12.7 95 95 A G S < S+ 0 0 34 -3,-0.8 -4,-0.3 -4,-0.4 -3,-0.2 0.436 101.5 82.8 67.8 6.7 25.8 60.0 -11.9 96 96 A N S S- 0 0 129 -6,-0.1 -4,-0.2 -5,-0.1 -3,-0.1 -0.098 113.9 -94.0-127.3 32.7 21.9 60.4 -12.0 97 97 A N - 0 0 34 -6,-2.8 -60,-2.3 1,-0.1 -5,-0.2 0.788 55.4-172.7 64.2 29.5 21.1 59.2 -8.5 98 98 A A - 0 0 16 -7,-0.5 -5,-0.3 -62,-0.1 -60,-0.2 -0.191 35.1 -97.2 -49.5 144.8 20.4 55.6 -9.3 99 99 A A - 0 0 17 -62,-0.2 2,-0.6 -63,-0.1 -60,-0.2 -0.392 35.6-138.5 -62.7 140.8 19.1 53.6 -6.4 100 100 A I E -f 39 0B 2 -62,-2.3 -60,-2.7 -3,-0.1 2,-0.4 -0.905 22.4-170.2-112.2 114.3 21.9 51.6 -4.5 101 101 A R E +f 40 0B 75 -2,-0.6 19,-2.8 17,-0.3 2,-0.3 -0.914 8.1 179.5-113.8 137.5 20.9 48.2 -3.6 102 102 A S E -fh 41 120B 0 -62,-2.1 -60,-3.6 -2,-0.4 2,-0.4 -0.993 11.9-158.4-130.7 140.1 22.6 45.7 -1.3 103 103 A S E -fh 42 121B 0 17,-2.1 19,-2.4 -2,-0.3 2,-0.2 -0.971 12.0-172.6-115.5 138.2 21.9 42.2 -0.1 104 104 A V E +f 43 0B 0 -62,-2.4 -60,-2.6 -2,-0.4 -59,-0.4 -0.673 63.9 45.5-120.6 170.7 23.4 40.6 3.1 105 105 A H E S+ 0 0 7 17,-0.4 -59,-2.9 1,-0.2 2,-0.5 0.863 74.9 174.7 60.8 38.5 23.3 37.0 4.5 106 106 A Y E - h 0 123B 39 16,-1.8 18,-0.5 -3,-0.2 4,-0.4 -0.720 51.4 -32.2 -82.3 124.3 24.0 35.8 1.0 107 107 A S S S- 0 0 34 -60,-2.4 2,-0.4 -2,-0.5 -60,-0.1 -0.025 92.2 -63.9 57.3-162.2 24.4 32.0 0.9 108 108 A Q S S- 0 0 161 1,-0.1 18,-0.1 15,-0.1 -1,-0.1 -0.972 110.7 -9.9-122.4 124.0 25.9 30.1 3.9 109 109 A G S S+ 0 0 39 -2,-0.4 2,-0.7 16,-0.4 17,-0.3 0.793 83.8 174.4 61.5 29.3 29.6 30.6 5.0 110 110 A Y - 0 0 70 -4,-0.4 15,-2.0 15,-0.3 2,-1.3 -0.583 20.5-160.5 -80.6 111.4 30.2 32.7 1.8 111 111 A N + 0 0 48 -2,-0.7 2,-0.3 14,-0.2 -1,-0.1 -0.377 62.0 53.7 -83.4 53.3 33.7 34.2 2.0 112 112 A N - 0 0 84 -2,-1.3 11,-2.2 2,-0.0 2,-0.3 -0.985 57.9-148.1-166.5 179.6 33.2 36.9 -0.5 113 113 A A E +I 122 0B 4 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.884 23.2 171.6-151.2 163.2 31.2 40.0 -1.7 114 114 A F E -I 121 0B 55 7,-2.2 7,-2.5 -2,-0.3 2,-0.5 -0.974 37.5-116.5-168.4 161.4 30.6 41.3 -5.2 115 115 A W E -I 120 0B 27 -2,-0.3 5,-0.2 5,-0.2 -13,-0.0 -0.948 26.0-161.9-104.9 131.8 28.7 43.7 -7.5 116 116 A N - 0 0 68 3,-2.3 4,-0.1 -2,-0.5 -1,-0.0 0.103 54.0 -87.2-105.7 15.1 26.5 41.6 -9.8 117 117 A G S S+ 0 0 41 2,-0.2 3,-0.1 1,-0.0 -2,-0.0 0.016 126.0 38.3 95.3 -15.9 25.9 44.2 -12.5 118 118 A S S S- 0 0 64 1,-0.4 -17,-0.3 -17,-0.0 2,-0.3 0.471 120.6 -0.6-134.9 -21.5 22.8 45.6 -10.6 119 119 A E S S- 0 0 9 -19,-0.1 -3,-2.3 24,-0.0 -1,-0.4 -0.992 70.4 -89.8-167.2 167.2 23.6 45.5 -6.8 120 120 A M E -hI 102 115B 0 -19,-2.8 -17,-2.1 -2,-0.3 2,-0.3 -0.674 34.2-166.4 -91.4 145.8 26.0 44.7 -4.0 121 121 A V E -hI 103 114B 0 -7,-2.5 -7,-2.2 -2,-0.3 2,-0.4 -0.998 2.4-163.8-137.3 134.9 26.0 41.3 -2.4 122 122 A Y E - 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0 0 72 -2,-0.4 -9,-0.2 -9,-0.2 53,-0.1 -0.817 28.9-129.0 -82.8 117.4 57.3 62.7 -4.8 257 257 A G - 0 0 31 -2,-0.6 -12,-0.2 -11,-0.4 -11,-0.2 -0.378 21.4-170.5 -66.3 146.2 53.9 62.1 -3.1 258 258 A I - 0 0 23 -14,-2.7 4,-0.4 1,-0.2 -13,-0.2 0.307 44.8-106.6-120.8 2.8 51.1 64.6 -3.9 259 259 A G > - 0 0 27 -14,-1.9 4,-2.1 -15,-0.4 -1,-0.2 0.028 31.1 -75.9 95.6 161.5 48.6 63.4 -1.4 260 260 A R H > S+ 0 0 96 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.878 121.0 55.3 -63.9 -44.7 45.3 61.5 -1.4 261 261 A D H > S+ 0 0 130 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.930 111.5 44.9 -59.0 -43.2 43.0 64.3 -2.7 262 262 A K H > S+ 0 0 77 -4,-0.4 4,-2.5 2,-0.2 -1,-0.2 0.883 111.8 52.6 -72.0 -38.4 45.1 64.8 -5.7 263 263 A L H X S+ 0 0 0 -4,-2.1 4,-2.8 1,-0.2 5,-0.3 0.951 111.7 47.2 -54.5 -51.4 45.4 61.0 -6.3 264 264 A G H X S+ 0 0 3 -4,-3.0 4,-2.6 1,-0.2 -2,-0.2 0.896 112.8 48.2 -59.3 -47.0 41.6 60.8 -6.1 265 265 A K H X S+ 0 0 104 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.903 113.7 47.2 -61.3 -40.0 41.1 63.8 -8.5 266 266 A I H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.932 116.6 40.5 -72.8 -47.7 43.5 62.4 -11.0 267 267 A F H X S+ 0 0 0 -4,-2.8 4,-2.6 2,-0.2 -1,-0.2 0.824 114.2 54.2 -70.3 -32.4 42.2 58.8 -11.1 268 268 A Y H X S+ 0 0 31 -4,-2.6 4,-2.3 -5,-0.3 -2,-0.2 0.930 111.3 45.8 -61.9 -45.3 38.5 60.0 -11.0 269 269 A R H X>S+ 0 0 84 -4,-1.9 4,-2.5 -5,-0.2 5,-0.5 0.907 114.0 48.1 -63.2 -46.8 39.2 62.2 -14.0 270 270 A A H X>S+ 0 0 0 -4,-2.3 5,-3.1 3,-0.2 4,-1.7 0.899 112.7 49.3 -58.0 -45.5 41.0 59.4 -15.8 271 271 A L H <5S+ 0 0 1 -4,-2.6 -118,-0.3 1,-0.2 -2,-0.2 0.896 121.4 33.3 -60.8 -43.4 38.2 57.0 -15.0 272 272 A T H <5S+ 0 0 38 -4,-2.3 -2,-0.2 -5,-0.1 -1,-0.2 0.625 131.7 25.2 -93.6 -16.9 35.5 59.3 -16.2 273 273 A Q H <5S+ 0 0 131 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.2 0.644 129.6 21.7-121.1 -22.7 37.1 61.1 -19.1 274 274 A Y T < - 0 0 59 -2,-0.1 3,-1.4 -122,-0.1 -123,-0.1 -0.748 40.6 -91.7-127.4 167.9 37.8 52.9 -22.1 277 277 A P T 3 S+ 0 0 62 0, 0.0 -121,-2.9 0, 0.0 -123,-0.1 0.793 125.4 40.0 -47.8 -33.5 36.6 49.3 -21.9 278 278 A T T 3 S+ 0 0 93 -123,-0.2 -117,-0.1 -125,-0.1 -118,-0.1 0.283 81.7 140.6-108.6 10.8 39.9 48.0 -23.5 279 279 A S < - 0 0 4 -3,-1.4 -115,-0.2 -126,-0.1 2,-0.2 -0.237 33.8-158.6 -57.3 136.5 42.4 50.2 -21.8 280 280 A N > - 0 0 62 -120,-0.1 4,-2.7 -119,-0.1 5,-0.2 -0.437 36.8 -89.6-105.7-176.7 45.7 48.6 -20.8 281 281 A F H > S+ 0 0 1 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.895 128.0 52.6 -61.5 -47.1 48.3 49.8 -18.3 282 282 A S H > S+ 0 0 58 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.926 111.0 49.1 -53.7 -42.7 50.2 51.8 -20.8 283 283 A Q H > S+ 0 0 92 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.899 108.4 54.0 -66.4 -32.2 46.8 53.5 -21.6 284 284 A L H X S+ 0 0 0 -4,-2.7 4,-3.2 2,-0.2 5,-0.3 0.924 104.9 53.7 -62.8 -46.3 46.2 54.1 -18.0 285 285 A R H X S+ 0 0 27 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.953 111.7 44.7 -55.0 -49.3 49.5 55.8 -17.6 286 286 A A H X S+ 0 0 61 -4,-2.0 4,-3.5 2,-0.2 5,-0.2 0.915 113.3 50.1 -61.8 -44.4 48.6 58.2 -20.5 287 287 A A H X S+ 0 0 8 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.924 112.9 47.1 -56.7 -43.3 45.1 58.8 -19.1 288 288 A A H X S+ 0 0 0 -4,-3.2 4,-1.9 -5,-0.2 -2,-0.2 0.884 111.9 49.8 -71.7 -36.3 46.6 59.5 -15.7 289 289 A V H X S+ 0 0 29 -4,-2.7 4,-2.5 -5,-0.3 -2,-0.2 0.954 113.1 47.1 -62.7 -43.8 49.2 61.9 -17.3 290 290 A Q H X S+ 0 0 81 -4,-3.5 4,-3.0 1,-0.2 -2,-0.2 0.919 110.8 51.6 -63.7 -38.8 46.4 63.7 -19.3 291 291 A S H X S+ 0 0 0 -4,-2.6 4,-2.3 -5,-0.2 -1,-0.2 0.910 112.6 45.2 -63.9 -44.3 44.2 64.1 -16.2 292 292 A A H X>S+ 0 0 0 -4,-1.9 4,-2.7 2,-0.2 5,-0.6 0.892 113.0 50.8 -66.7 -43.1 47.0 65.5 -14.2 293 293 A T H X5S+ 0 0 39 -4,-2.5 4,-2.1 3,-0.2 -2,-0.2 0.940 111.7 49.4 -57.3 -48.2 48.0 67.9 -17.1 294 294 A D H <5S+ 0 0 59 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.881 119.6 36.0 -51.6 -51.0 44.3 69.0 -17.3 295 295 A L H <5S+ 0 0 61 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.730 137.6 11.3 -81.4 -30.4 44.1 69.6 -13.5 296 296 A Y H <5S- 0 0 63 -4,-2.7 -3,-0.2 -5,-0.1 -2,-0.2 0.412 107.4 -98.7-131.3 -7.9 47.6 71.0 -12.7 297 297 A G ><< - 0 0 29 -4,-2.1 3,-2.6 -5,-0.6 6,-0.4 0.319 35.5 -80.3 92.2 143.1 49.4 71.8 -16.0 298 298 A S T 3 S+ 0 0 84 1,-0.3 -1,-0.1 -5,-0.2 -5,-0.1 0.755 126.5 41.8 -43.6 -37.2 52.0 70.1 -18.1 299 299 A T T 3 S+ 0 0 141 -6,-0.1 -1,-0.3 -3,-0.1 -2,-0.1 0.360 89.5 125.4-101.4 13.0 55.0 71.1 -16.0 300 300 A S S <> S- 0 0 18 -3,-2.6 4,-1.9 1,-0.1 5,-0.1 -0.091 71.2-120.9 -71.9 164.4 53.4 70.5 -12.6 301 301 A Q H > S+ 0 0 90 2,-0.2 4,-3.6 1,-0.2 5,-0.2 0.902 114.0 61.0 -60.8 -37.9 54.8 68.3 -9.8 302 302 A E H > S+ 0 0 25 1,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.911 106.3 42.9 -65.7 -46.8 51.5 66.4 -10.1 303 303 A V H > S+ 0 0 4 -6,-0.4 4,-2.4 -11,-0.2 -1,-0.3 0.921 114.1 51.9 -62.4 -44.9 52.3 65.4 -13.7 304 304 A A H X S+ 0 0 38 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.928 110.9 48.1 -58.3 -40.5 55.9 64.6 -12.8 305 305 A S H X S+ 0 0 0 -4,-3.6 4,-2.6 2,-0.2 5,-0.2 0.890 107.4 54.7 -69.6 -37.0 54.8 62.4 -9.9 306 306 A V H X S+ 0 0 0 -4,-2.2 4,-2.2 -5,-0.2 5,-0.2 0.956 112.1 45.3 -56.9 -48.6 52.3 60.5 -12.0 307 307 A K H X S+ 0 0 92 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.896 112.5 49.8 -62.5 -44.9 55.2 59.7 -14.5 308 308 A Q H X S+ 0 0 53 -4,-2.4 4,-3.2 2,-0.2 -1,-0.2 0.905 110.4 51.3 -56.1 -46.2 57.7 58.7 -11.7 309 309 A A H X S+ 0 0 0 -4,-2.6 4,-1.6 1,-0.2 -2,-0.2 0.966 111.7 45.6 -66.0 -46.0 55.1 56.4 -10.1 310 310 A F H <>S+ 0 0 0 -4,-2.2 5,-2.5 -5,-0.2 4,-0.3 0.927 113.1 51.5 -61.0 -41.7 54.4 54.6 -13.4 311 311 A D H ><5S+ 0 0 58 -4,-2.6 3,-2.1 1,-0.2 -2,-0.2 0.961 105.9 56.2 -58.8 -45.1 58.2 54.4 -14.1 312 312 A A H 3<5S+ 0 0 1 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.841 108.4 45.5 -56.4 -37.3 58.7 52.9 -10.7 313 313 A V T 3<5S- 0 0 0 -4,-1.6 -96,-2.8 -3,-0.2 -1,-0.3 0.340 119.6-106.9 -90.9 9.5 56.3 50.0 -11.5 314 314 A G T < 5S+ 0 0 17 -3,-2.1 2,-0.6 -4,-0.3 -3,-0.2 0.725 75.1 135.9 79.3 22.0 57.7 49.4 -14.9 315 315 A V < 0 0 4 -5,-2.5 -1,-0.2 -6,-0.2 -2,-0.2 -0.913 360.0 360.0-112.1 113.5 54.8 50.9 -16.9 316 316 A K 0 0 159 -2,-0.6 -31,-0.2 -3,-0.1 -30,-0.2 -0.467 360.0 360.0 -99.1 360.0 55.7 53.1 -19.8