==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-FEB-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 12-FEB-10 3LS7 . COMPND 2 MOLECULE: THERMOLYSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS THERMOPROTEOLYTICUS; . AUTHOR J.BEHNEN,G.KLEBE,A.HEINE,B.BRUMSHTEIN . 318 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12501.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 224 70.4 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 . 20 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 105 33.0 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 81 0, 0.0 2,-0.5 0, 0.0 28,-0.0 0.000 360.0 360.0 360.0 165.0 -38.3 28.8 0.4 2 2 A T + 0 0 136 21,-0.0 2,-0.3 23,-0.0 21,-0.0 -0.776 360.0 100.7 -90.7 130.4 -40.3 25.6 -0.3 3 3 A G - 0 0 42 -2,-0.5 2,-0.4 23,-0.0 22,-0.2 -0.949 68.5 -52.8-177.3-158.9 -40.2 24.4 -3.9 4 4 A T E -A 24 0A 82 20,-2.5 20,-3.3 -2,-0.3 2,-0.3 -0.856 48.6-116.8-109.6 140.2 -38.6 22.0 -6.4 5 5 A S E +A 23 0A 66 -2,-0.4 18,-0.2 18,-0.2 2,-0.2 -0.448 44.6 163.5 -71.2 128.6 -34.9 21.5 -6.8 6 6 A T E -A 22 0A 44 16,-2.9 16,-2.5 -2,-0.3 2,-0.4 -0.754 35.2-117.7-133.4-176.6 -33.6 22.4 -10.2 7 7 A V E -A 21 0A 86 14,-0.2 14,-0.2 -2,-0.2 2,-0.2 -0.985 28.7-177.5-128.6 117.6 -30.4 23.1 -12.0 8 8 A G E -A 20 0A 2 12,-3.1 12,-2.1 -2,-0.4 2,-0.3 -0.506 13.0-141.7-101.6 177.7 -29.7 26.5 -13.6 9 9 A V E +Ab 19 61A 21 51,-1.9 53,-3.4 10,-0.2 2,-0.3 -0.989 29.9 135.9-140.1 151.9 -26.7 27.7 -15.6 10 10 A G E -Ab 18 62A 0 8,-1.9 8,-2.3 -2,-0.3 2,-0.4 -0.902 45.5 -83.7-166.9-164.4 -24.8 31.0 -15.8 11 11 A R E -A 17 0A 102 51,-2.2 60,-0.2 -2,-0.3 6,-0.2 -0.962 33.1-138.7-125.3 136.4 -21.4 32.7 -15.9 12 12 A G > - 0 0 4 4,-2.8 3,-2.3 -2,-0.4 56,-0.2 -0.215 39.8 -84.0 -85.9-177.6 -19.1 33.6 -13.0 13 13 A V T 3 S+ 0 0 30 55,-0.6 122,-0.1 1,-0.3 55,-0.1 0.833 130.3 49.0 -56.8 -35.2 -17.1 36.7 -12.4 14 14 A L T 3 S- 0 0 89 54,-0.1 -1,-0.3 2,-0.1 121,-0.0 0.426 122.8-105.9 -92.4 12.3 -14.2 35.5 -14.5 15 15 A G S < S+ 0 0 35 -3,-2.3 2,-0.3 1,-0.3 -2,-0.1 0.551 71.7 143.5 81.0 11.8 -16.7 34.6 -17.3 16 16 A D - 0 0 60 1,-0.0 -4,-2.8 -5,-0.0 2,-0.3 -0.651 48.8-123.5 -83.2 141.0 -16.6 30.9 -16.9 17 17 A Q E +A 11 0A 120 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.2 -0.626 38.6 163.4 -84.3 134.2 -19.8 28.9 -17.4 18 18 A K E -A 10 0A 15 -8,-2.3 -8,-1.9 -2,-0.3 2,-0.3 -0.997 35.4-118.5-148.1 154.1 -21.1 26.7 -14.6 19 19 A N E -A 9 0A 100 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.681 30.1-163.7 -86.3 148.5 -24.3 24.9 -13.4 20 20 A I E -A 8 0A 4 -12,-2.1 -12,-3.1 -2,-0.3 2,-0.5 -0.986 23.1-115.4-136.3 142.5 -25.9 25.9 -10.1 21 21 A N E +A 7 0A 41 -2,-0.3 -14,-0.2 -14,-0.2 2,-0.2 -0.653 45.2 172.8 -76.9 124.1 -28.4 24.2 -7.9 22 22 A T E -A 6 0A 2 -16,-2.5 -16,-2.9 -2,-0.5 2,-0.4 -0.735 28.7-126.4-127.3 175.2 -31.5 26.3 -7.7 23 23 A T E -AC 5 29A 0 6,-2.2 6,-3.1 -18,-0.2 2,-0.6 -0.980 18.9-143.8-127.6 128.5 -35.1 26.1 -6.3 24 24 A Y E +AC 4 28A 93 -20,-3.3 -20,-2.5 -2,-0.4 4,-0.2 -0.815 40.0 136.4 -99.5 125.4 -38.2 26.6 -8.4 25 25 A S S S- 0 0 50 2,-2.5 2,-1.8 -2,-0.6 -23,-0.0 -0.492 94.9 -50.7-163.7 85.0 -41.3 28.4 -6.9 26 26 A T S S+ 0 0 112 -2,-0.1 2,-0.3 32,-0.0 -2,-0.1 -0.468 140.4 38.0 72.9 -52.9 -42.7 30.8 -9.5 27 27 A Y S S- 0 0 113 -2,-1.8 -2,-2.5 -4,-0.1 2,-0.6 -0.778 94.5-111.8-106.0 158.9 -39.1 32.2 -9.7 28 28 A Y E -CD 24 57A 55 29,-2.9 29,-2.2 -2,-0.3 2,-0.3 -0.836 38.0-157.2 -90.7 123.2 -35.9 30.2 -9.6 29 29 A Y E -CD 23 56A 47 -6,-3.1 -6,-2.2 -2,-0.6 2,-2.2 -0.771 27.7-114.4-103.0 148.1 -34.0 31.0 -6.4 30 30 A L S S+ 0 0 0 25,-1.8 11,-2.3 11,-0.3 2,-0.4 -0.567 72.9 130.3 -76.1 79.3 -30.3 30.7 -5.6 31 31 A Q E -E 40 0B 9 -2,-2.2 2,-0.7 9,-0.2 9,-0.2 -0.937 44.7-159.5-139.9 109.3 -31.1 28.0 -3.1 32 32 A D E > +E 39 0B 2 7,-2.7 7,-1.7 -2,-0.4 3,-0.5 -0.888 12.8 176.8 -95.0 106.2 -29.2 24.7 -3.2 33 33 A N T 3 + 0 0 59 -2,-0.7 -1,-0.1 -11,-0.3 5,-0.1 0.397 67.7 80.7 -88.0 -3.1 -31.1 21.9 -1.5 34 34 A T T 3 S+ 0 0 80 1,-0.1 2,-0.5 5,-0.1 -1,-0.2 0.568 85.5 64.4 -83.3 -8.0 -28.5 19.2 -2.3 35 35 A R S X S- 0 0 48 -3,-0.5 3,-2.4 4,-0.1 -1,-0.1 -0.926 110.6 -66.5-128.9 117.5 -26.2 20.2 0.5 36 36 A G T 3 S- 0 0 28 -2,-0.5 62,-0.1 1,-0.3 3,-0.1 -0.184 113.2 -18.8 47.0-126.8 -27.0 19.9 4.2 37 37 A N T 3 S- 0 0 112 60,-1.3 -1,-0.3 1,-0.3 62,-0.2 0.107 119.5 -72.2 -96.5 27.4 -29.8 22.3 5.1 38 38 A G < - 0 0 2 -3,-2.4 62,-2.3 60,-0.1 2,-0.5 0.051 31.8-115.9 108.6 146.2 -29.3 24.4 2.1 39 39 A I E -Ef 32 100B 0 -7,-1.7 -7,-2.7 60,-0.2 2,-0.4 -0.995 35.3-169.7-116.6 127.9 -27.0 27.0 0.5 40 40 A F E -Ef 31 101B 21 60,-3.1 62,-2.4 -2,-0.5 2,-0.4 -0.984 9.0-165.5-126.2 125.0 -28.7 30.4 0.1 41 41 A T E - f 0 102B 0 -11,-2.3 14,-2.4 -2,-0.4 -11,-0.3 -0.953 12.5-164.6-117.8 133.6 -27.3 33.4 -1.9 42 42 A Y E -Gf 54 103B 29 60,-3.8 62,-2.5 -2,-0.4 2,-0.6 -0.756 21.1-125.2-116.6 159.1 -28.8 36.9 -1.5 43 43 A D E -Gf 53 104B 18 10,-2.9 10,-2.0 -2,-0.3 62,-0.2 -0.903 16.8-177.0-101.4 112.7 -28.8 40.2 -3.3 44 44 A A > - 0 0 5 60,-2.7 3,-2.0 -2,-0.6 5,-0.3 0.551 31.6-142.0 -83.2 -7.5 -27.8 43.1 -1.0 45 45 A K T 3 - 0 0 111 59,-0.4 61,-0.1 1,-0.3 60,-0.1 0.773 62.2 -55.9 55.1 38.4 -28.4 45.5 -3.9 46 46 A Y T 3 S+ 0 0 105 59,-2.7 -1,-0.3 1,-0.3 2,-0.2 0.528 117.4 102.1 74.1 13.6 -25.4 47.8 -3.2 47 47 A R S < S- 0 0 178 -3,-2.0 60,-2.0 58,-0.3 -1,-0.3 -0.572 73.8-123.9-115.3-179.0 -26.6 48.5 0.4 48 48 A T + 0 0 78 -2,-0.2 2,-0.5 58,-0.2 -3,-0.1 0.174 69.8 110.8-117.1 9.0 -25.4 47.2 3.7 49 49 A T S S- 0 0 97 -5,-0.3 -2,-0.2 2,-0.1 58,-0.1 -0.786 70.4-100.0 -88.7 131.7 -28.5 45.8 5.3 50 50 A L S S- 0 0 55 -2,-0.5 -2,-0.1 1,-0.2 71,-0.0 -0.826 81.4 -0.7-116.8 148.0 -28.2 42.0 5.4 51 51 A P S S- 0 0 45 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.986 78.7-166.7 -87.4 -10.0 -28.9 39.6 4.2 52 52 A G - 0 0 33 -8,-0.1 2,-0.4 -10,-0.1 -8,-0.2 -0.753 48.8 -26.9 97.4-155.1 -30.9 41.4 1.5 53 53 A S E -G 43 0B 44 -10,-2.0 -10,-2.9 -2,-0.3 -8,-0.1 -0.824 66.7-103.8-106.0 139.8 -33.3 39.4 -0.7 54 54 A L E -G 42 0B 29 -2,-0.4 -12,-0.2 -12,-0.2 2,-0.2 -0.313 55.7 -96.5 -52.6 127.1 -33.0 35.7 -1.6 55 55 A W - 0 0 9 -14,-2.4 -25,-1.8 -25,-0.3 2,-0.4 -0.330 47.9-169.1 -62.2 124.6 -31.8 35.8 -5.2 56 56 A A E +D 29 0A 47 -27,-0.2 2,-0.4 -2,-0.2 -27,-0.2 -0.925 9.2 178.9-118.1 131.2 -34.7 35.5 -7.6 57 57 A D E -D 28 0A 22 -29,-2.2 -29,-2.9 -2,-0.4 3,-0.2 -0.995 24.1-143.9-136.9 136.5 -34.4 34.8 -11.3 58 58 A A S S+ 0 0 72 -2,-0.4 -1,-0.1 -31,-0.2 -29,-0.1 0.820 93.8 21.8 -72.7 -31.9 -37.2 34.4 -13.8 59 59 A D S S- 0 0 91 2,-0.3 -1,-0.2 -31,-0.1 3,-0.1 0.318 96.6-113.0-126.6 12.8 -35.7 31.8 -16.2 60 60 A N S S+ 0 0 13 -3,-0.2 -51,-1.9 1,-0.2 2,-0.5 0.620 80.9 118.1 65.9 15.4 -32.9 29.9 -14.3 61 61 A Q E -b 9 0A 81 -53,-0.2 2,-0.3 -51,-0.0 -2,-0.3 -0.966 43.3-171.5-113.6 124.8 -30.2 31.4 -16.6 62 62 A F E +b 10 0A 0 -53,-3.4 -51,-2.2 -2,-0.5 9,-0.1 -0.499 40.9 121.2-121.3 62.9 -27.6 33.5 -14.9 63 63 A F + 0 0 82 -2,-0.3 -1,-0.2 -53,-0.3 2,-0.1 0.406 39.0 114.7-108.1 6.2 -25.5 35.2 -17.6 64 64 A A S >> S- 0 0 48 -3,-0.2 3,-1.5 1,-0.1 4,-1.0 -0.501 74.1-123.6 -72.6 147.1 -26.2 38.8 -16.7 65 65 A S G >4 S+ 0 0 115 1,-0.3 3,-0.9 2,-0.2 -1,-0.1 0.882 116.3 55.8 -53.1 -40.9 -23.1 40.8 -15.5 66 66 A Y G 34 S+ 0 0 68 1,-0.2 4,-0.3 2,-0.1 -1,-0.3 0.708 105.0 54.1 -62.7 -25.3 -25.2 41.6 -12.4 67 67 A D G X> S+ 0 0 16 -3,-1.5 4,-2.4 1,-0.2 3,-0.6 0.707 85.8 85.4 -80.5 -25.3 -25.6 37.8 -11.9 68 68 A A H S+ 0 0 4 0, 0.0 4,-2.0 0, 0.0 -1,-0.3 0.868 113.2 51.0 -65.9 -30.6 -21.0 37.5 -8.3 70 70 A A H <> S+ 0 0 0 -3,-0.6 4,-2.2 -4,-0.3 5,-0.3 0.910 107.2 54.2 -68.5 -41.9 -24.1 35.6 -7.1 71 71 A V H X S+ 0 0 0 -4,-2.4 4,-2.5 -60,-0.2 5,-0.2 0.952 113.0 41.7 -56.4 -49.8 -23.2 32.6 -9.4 72 72 A D H X S+ 0 0 0 -4,-2.1 4,-2.7 1,-0.2 5,-0.3 0.868 111.8 54.4 -72.7 -32.8 -19.7 32.3 -7.9 73 73 A A H X S+ 0 0 0 -4,-2.0 4,-1.4 -5,-0.2 -1,-0.2 0.916 114.7 40.6 -59.9 -43.4 -20.8 32.9 -4.3 74 74 A H H X S+ 0 0 3 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.912 118.7 46.2 -74.4 -43.9 -23.3 30.1 -4.5 75 75 A Y H X S+ 0 0 97 -4,-2.5 4,-1.8 -5,-0.3 -2,-0.2 0.926 114.1 45.5 -67.8 -46.9 -21.1 27.7 -6.5 76 76 A Y H X S+ 0 0 23 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.793 107.4 58.2 -73.1 -27.0 -18.0 28.2 -4.5 77 77 A A H X S+ 0 0 0 -4,-1.4 4,-2.6 -5,-0.3 -1,-0.2 0.926 107.4 49.6 -60.8 -41.1 -19.9 27.8 -1.2 78 78 A G H X S+ 0 0 0 -4,-1.7 4,-2.5 1,-0.2 -2,-0.2 0.922 109.9 49.9 -63.1 -41.2 -21.0 24.4 -2.5 79 79 A V H X S+ 0 0 14 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.920 111.9 48.0 -62.0 -42.2 -17.4 23.5 -3.4 80 80 A T H X S+ 0 0 3 -4,-2.4 4,-2.1 2,-0.2 5,-0.2 0.909 110.6 51.1 -64.8 -41.7 -16.2 24.5 0.1 81 81 A Y H X S+ 0 0 15 -4,-2.6 4,-2.1 1,-0.2 11,-0.2 0.936 109.5 52.1 -58.8 -45.2 -19.0 22.5 1.6 82 82 A D H X S+ 0 0 39 -4,-2.5 4,-2.8 -5,-0.2 5,-0.5 0.906 107.0 52.6 -59.6 -43.8 -17.9 19.6 -0.5 83 83 A Y H X>S+ 0 0 10 -4,-2.4 4,-3.2 1,-0.2 5,-0.9 0.979 110.8 44.9 -58.2 -52.7 -14.3 19.8 0.7 84 84 A Y H X5S+ 0 0 7 -4,-2.1 6,-2.8 3,-0.2 4,-1.0 0.901 119.3 42.2 -64.4 -34.9 -15.1 19.8 4.4 85 85 A K H X5S+ 0 0 89 -4,-2.1 4,-1.3 4,-0.3 -1,-0.2 0.971 122.4 36.6 -72.8 -54.4 -17.6 16.9 4.0 86 86 A N H <5S+ 0 0 100 -4,-2.8 -2,-0.2 -5,-0.2 -3,-0.2 0.841 129.7 32.1 -69.6 -35.0 -15.6 14.7 1.6 87 87 A V H <5S+ 0 0 52 -4,-3.2 -3,-0.2 -5,-0.5 -2,-0.2 0.869 136.1 18.0 -97.5 -35.1 -12.2 15.5 3.1 88 88 A H H < S- 0 0 5 -2,-0.8 3,-0.7 -11,-0.2 7,-0.1 0.035 93.3 -54.4 53.9-168.9 -21.2 22.5 7.0 93 93 A Y T 3 S+ 0 0 24 5,-0.3 58,-0.2 1,-0.2 -1,-0.2 0.781 138.1 43.3 -76.1 -27.0 -19.5 25.0 9.3 94 94 A D T 3 S- 0 0 48 -3,-0.2 -1,-0.2 4,-0.1 -2,-0.2 0.429 109.6-117.0 -94.3 -2.1 -21.1 24.0 12.6 95 95 A G S < S+ 0 0 35 -3,-0.7 -4,-0.2 -4,-0.5 -3,-0.2 0.575 101.8 81.0 76.8 8.9 -20.7 20.3 11.8 96 96 A N S S- 0 0 122 -5,-0.3 -4,-0.2 -6,-0.1 -3,-0.1 -0.046 113.3 -93.3-136.1 31.0 -24.5 19.8 11.8 97 97 A N - 0 0 37 -6,-2.3 -60,-1.3 1,-0.2 -5,-0.2 0.826 54.6-172.6 62.9 38.6 -25.4 21.0 8.3 98 98 A A - 0 0 20 -7,-0.5 -5,-0.3 1,-0.1 -1,-0.2 -0.358 34.5 -97.2 -57.3 139.2 -26.1 24.6 9.1 99 99 A A - 0 0 16 -62,-0.2 2,-0.7 -63,-0.1 -60,-0.2 -0.288 34.8-138.7 -50.5 132.5 -27.6 26.6 6.2 100 100 A I E -f 39 0B 6 -62,-2.3 -60,-3.1 -3,-0.1 2,-0.4 -0.887 23.2-173.5-104.0 116.7 -24.9 28.5 4.4 101 101 A R E -f 40 0B 89 -2,-0.7 19,-2.4 17,-0.4 2,-0.4 -0.915 5.4-179.1-113.8 140.9 -26.0 32.0 3.4 102 102 A S E -fh 41 120B 0 -62,-2.4 -60,-3.8 -2,-0.4 2,-0.4 -0.990 11.7-156.9-132.6 143.9 -24.1 34.6 1.3 103 103 A S E -fh 42 121B 0 17,-2.1 19,-2.4 -2,-0.4 3,-0.2 -0.981 13.0-170.8-119.5 133.6 -24.9 38.1 0.2 104 104 A V E +f 43 0B 0 -62,-2.5 -60,-2.7 -2,-0.4 -59,-0.4 -0.649 62.2 45.4-115.4 176.5 -23.4 39.7 -2.8 105 105 A H E S+ 0 0 6 17,-0.3 -59,-2.7 1,-0.2 2,-0.4 0.860 75.1 177.5 52.9 41.9 -23.4 43.3 -4.2 106 106 A Y E - h 0 123B 34 16,-1.9 18,-0.6 -3,-0.2 4,-0.5 -0.637 49.1 -35.2 -78.3 126.5 -22.7 44.5 -0.7 107 107 A S S S- 0 0 32 -60,-2.0 2,-0.4 -2,-0.4 -60,-0.1 -0.069 92.9 -60.2 57.0-158.4 -22.3 48.3 -0.5 108 108 A Q S S- 0 0 156 1,-0.1 3,-0.1 15,-0.1 18,-0.1 -0.997 109.4 -12.4-127.7 126.0 -20.6 50.2 -3.4 109 109 A G S S+ 0 0 34 16,-0.4 2,-0.7 -2,-0.4 17,-0.3 0.707 83.8 174.2 57.6 29.3 -17.0 49.7 -4.5 110 110 A Y - 0 0 74 -4,-0.5 2,-1.7 15,-0.3 15,-1.7 -0.525 22.1-158.4 -79.1 110.1 -16.5 47.6 -1.4 111 111 A N + 0 0 32 -2,-0.7 2,-0.3 -3,-0.1 -1,-0.1 -0.322 60.6 56.7 -88.3 55.9 -13.0 46.1 -1.6 112 112 A N - 0 0 27 -2,-1.7 11,-2.6 206,-0.1 2,-0.3 -0.988 56.1-147.5-168.0 173.1 -13.5 43.2 0.8 113 113 A A E +I 122 0B 0 -2,-0.3 206,-0.3 9,-0.2 2,-0.3 -0.929 25.7 163.4-146.2 158.1 -15.4 40.1 1.9 114 114 A F E -I 121 0B 50 7,-2.1 7,-2.3 -2,-0.3 2,-0.5 -0.982 40.9-110.6-172.4 162.8 -16.2 38.7 5.3 115 115 A W E -I 120 0B 25 -2,-0.3 5,-0.2 5,-0.2 -13,-0.0 -0.934 25.0-163.2-101.8 122.2 -18.1 36.5 7.7 116 116 A N - 0 0 68 3,-2.6 4,-0.1 -2,-0.5 -1,-0.1 0.183 57.0 -86.1 -99.6 17.8 -20.3 38.6 10.0 117 117 A G S S+ 0 0 45 2,-0.2 3,-0.1 1,-0.0 -2,-0.0 -0.045 125.5 34.7 101.7 -24.9 -21.0 35.9 12.6 118 118 A S S S+ 0 0 83 1,-0.4 -17,-0.4 -17,-0.0 2,-0.3 0.524 119.1 7.5-132.2 -17.6 -23.9 34.5 10.7 119 119 A Q S S- 0 0 13 -19,-0.1 -3,-2.6 -16,-0.0 -1,-0.4 -0.974 70.7 -89.9-162.6 165.0 -23.2 34.7 6.9 120 120 A M E -hI 102 115B 0 -19,-2.4 -17,-2.1 -2,-0.3 2,-0.4 -0.607 33.4-168.3 -80.9 139.4 -20.9 35.5 4.1 121 121 A V E -hI 103 114B 0 -7,-2.3 -7,-2.1 -2,-0.3 2,-0.5 -0.997 1.6-168.0-134.5 129.3 -20.8 39.0 2.6 122 122 A Y E - 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0 0 66 -2,-0.4 -9,-0.2 -9,-0.2 2,-0.1 -0.761 28.4-131.3 -82.4 117.4 10.9 17.7 4.4 257 257 A G - 0 0 33 -2,-0.6 -12,-0.3 -11,-0.3 -11,-0.2 -0.479 23.3-175.1 -73.4 144.1 7.6 18.2 2.6 258 258 A I - 0 0 26 -14,-2.9 4,-0.4 1,-0.2 -13,-0.2 0.303 45.7-105.0-120.7 2.9 4.7 15.8 3.3 259 259 A G > - 0 0 29 -14,-1.8 4,-1.8 -15,-0.4 -1,-0.2 0.045 30.8 -76.9 95.0 161.9 2.1 17.1 0.9 260 260 A R H > S+ 0 0 92 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.844 120.3 56.1 -62.8 -44.0 -1.2 19.1 0.9 261 261 A D H > S+ 0 0 124 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.908 110.8 43.4 -63.2 -43.8 -3.5 16.3 2.2 262 262 A K H > S+ 0 0 76 -4,-0.4 4,-2.6 2,-0.2 5,-0.3 0.885 111.4 56.2 -69.6 -37.4 -1.4 15.6 5.3 263 263 A L H X S+ 0 0 0 -4,-1.8 4,-2.6 1,-0.2 -2,-0.2 0.949 110.1 45.7 -51.4 -51.3 -1.1 19.3 5.9 264 264 A G H X S+ 0 0 3 -4,-2.7 4,-2.7 1,-0.2 5,-0.3 0.894 112.2 49.7 -61.6 -43.1 -4.8 19.6 5.8 265 265 A K H X S+ 0 0 90 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.914 113.0 46.9 -64.3 -41.9 -5.4 16.6 8.1 266 266 A I H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.945 116.7 42.4 -65.6 -46.1 -2.9 17.8 10.7 267 267 A F H X S+ 0 0 0 -4,-2.6 4,-2.5 -5,-0.3 -2,-0.2 0.878 112.2 53.4 -76.1 -31.8 -4.2 21.4 10.8 268 268 A Y H X S+ 0 0 29 -4,-2.7 4,-2.4 -5,-0.2 5,-0.2 0.909 111.5 46.7 -61.3 -45.0 -7.9 20.3 10.7 269 269 A R H X>S+ 0 0 74 -4,-1.9 4,-2.7 -5,-0.3 5,-0.6 0.938 112.9 49.0 -65.1 -42.9 -7.3 18.1 13.8 270 270 A A H X>S+ 0 0 0 -4,-2.3 5,-3.4 1,-0.2 4,-1.7 0.932 112.6 49.3 -58.5 -43.7 -5.4 20.9 15.5 271 271 A L H <5S+ 0 0 1 -4,-2.5 -118,-0.4 1,-0.2 -2,-0.2 0.898 121.2 32.6 -63.6 -41.4 -8.2 23.2 14.8 272 272 A T H <5S+ 0 0 35 -4,-2.4 -1,-0.2 -120,-0.1 -2,-0.2 0.625 131.5 25.9 -96.1 -17.1 -10.9 21.0 16.0 273 273 A Q H <5S+ 0 0 111 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.627 129.0 21.5-121.9 -15.0 -9.3 19.1 18.8 274 274 A Y T < - 0 0 61 -122,-0.1 3,-1.8 -120,-0.0 -122,-0.1 -0.816 42.1 -86.9-133.6 164.4 -8.6 27.2 22.0 277 277 A P T 3 S+ 0 0 63 0, 0.0 -121,-2.4 0, 0.0 -123,-0.1 0.761 125.5 39.8 -52.8 -28.3 -9.7 30.9 21.9 278 278 A T T 3 S+ 0 0 97 -123,-0.2 -117,-0.1 -125,-0.1 -118,-0.1 0.270 79.9 141.7-111.9 18.0 -6.4 32.1 23.3 279 279 A S < - 0 0 4 -3,-1.8 -115,-0.2 -126,-0.1 2,-0.2 -0.321 32.8-158.9 -53.5 134.9 -3.8 29.8 21.6 280 280 A N > - 0 0 59 -120,-0.1 4,-2.3 -119,-0.1 5,-0.2 -0.476 36.9 -88.1-105.0-178.8 -0.6 31.5 20.6 281 281 A F H > S+ 0 0 1 1,-0.3 4,-2.3 2,-0.2 5,-0.1 0.889 127.8 51.1 -57.9 -45.5 2.0 30.5 18.0 282 282 A S H > S+ 0 0 58 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.865 111.2 48.4 -59.8 -38.8 3.9 28.3 20.4 283 283 A Q H > S+ 0 0 89 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.842 108.0 55.7 -73.9 -28.3 0.7 26.6 21.4 284 284 A L H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.908 105.6 51.7 -66.1 -40.1 -0.1 26.1 17.7 285 285 A R H X S+ 0 0 32 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.948 111.9 46.1 -59.5 -48.1 3.2 24.4 17.2 286 286 A A H X S+ 0 0 59 -4,-1.8 4,-2.4 1,-0.2 -2,-0.2 0.896 112.4 50.8 -61.1 -43.1 2.4 22.0 20.1 287 287 A A H X S+ 0 0 8 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.926 111.4 48.1 -59.9 -42.9 -1.1 21.4 18.8 288 288 A A H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.891 111.1 50.4 -66.6 -40.3 0.2 20.6 15.3 289 289 A V H X S+ 0 0 26 -4,-2.4 4,-2.3 -5,-0.2 -1,-0.2 0.930 112.3 46.9 -63.1 -42.5 2.9 18.2 16.7 290 290 A Q H X S+ 0 0 87 -4,-2.4 4,-3.1 2,-0.2 -2,-0.2 0.893 112.3 50.7 -68.4 -36.9 0.3 16.4 18.8 291 291 A S H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.906 111.8 45.7 -62.7 -49.2 -2.1 16.2 15.8 292 292 A A H X>S+ 0 0 0 -4,-2.6 4,-3.0 2,-0.2 5,-0.6 0.869 113.6 52.5 -63.0 -34.8 0.6 14.8 13.5 293 293 A T H X5S+ 0 0 35 -4,-2.3 4,-2.3 -5,-0.2 -2,-0.2 0.967 109.6 46.7 -66.1 -51.2 1.5 12.4 16.4 294 294 A D H <5S+ 0 0 63 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.904 120.5 40.7 -50.6 -46.0 -2.1 11.2 16.8 295 295 A L H <5S+ 0 0 61 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.875 134.1 10.3 -78.8 -36.6 -2.4 10.7 13.0 296 296 A Y H <5S- 0 0 73 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.533 106.0 -93.5-127.3 -8.7 1.0 9.2 12.0 297 297 A G ><< - 0 0 30 -4,-2.3 3,-2.2 -5,-0.6 6,-0.4 0.064 34.8 -90.6 102.6 145.1 3.0 8.2 15.1 298 298 A S T 3 S+ 0 0 87 1,-0.3 -1,-0.1 -5,-0.1 -5,-0.1 0.706 125.3 48.8 -66.8 -20.2 5.6 10.0 17.2 299 299 A T T 3 S+ 0 0 137 -3,-0.1 -1,-0.3 -6,-0.1 -2,-0.1 0.181 89.4 124.6-102.9 11.7 8.5 8.6 15.1 300 300 A S S <> S- 0 0 17 -3,-2.2 4,-1.6 1,-0.1 -3,-0.1 -0.300 71.6-126.6 -70.7 156.1 6.8 9.6 11.8 301 301 A Q H > S+ 0 0 95 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.859 111.1 62.9 -57.8 -39.8 8.3 11.8 9.1 302 302 A E H > S+ 0 0 20 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.922 104.5 43.6 -59.7 -46.6 5.1 13.9 9.5 303 303 A V H > S+ 0 0 3 -6,-0.4 4,-2.2 -11,-0.2 -1,-0.2 0.941 113.8 52.0 -63.7 -38.9 5.8 14.8 13.0 304 304 A A H X S+ 0 0 38 -4,-1.6 4,-2.1 1,-0.2 -2,-0.2 0.904 108.7 50.7 -66.4 -36.3 9.4 15.5 12.1 305 305 A S H X S+ 0 0 0 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.856 106.7 53.8 -68.7 -37.0 8.4 17.8 9.3 306 306 A V H X S+ 0 0 0 -4,-2.0 4,-2.1 -5,-0.2 5,-0.3 0.961 109.0 49.3 -64.3 -45.5 6.1 19.7 11.5 307 307 A K H X S+ 0 0 93 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.914 111.6 48.6 -58.5 -44.1 8.9 20.4 14.0 308 308 A Q H X S+ 0 0 54 -4,-2.1 4,-3.1 2,-0.2 -1,-0.2 0.909 108.8 53.6 -63.4 -40.5 11.2 21.5 11.2 309 309 A A H X S+ 0 0 0 -4,-2.4 4,-1.3 2,-0.2 -2,-0.2 0.938 112.7 41.9 -63.7 -45.3 8.6 23.9 9.7 310 310 A F H <>S+ 0 0 0 -4,-2.1 5,-3.1 2,-0.2 -1,-0.2 0.895 113.8 53.8 -70.3 -38.0 8.0 25.7 13.0 311 311 A D H ><5S+ 0 0 54 -4,-2.4 3,-1.9 -5,-0.3 -2,-0.2 0.943 105.8 54.3 -50.4 -51.0 11.8 25.7 13.7 312 312 A A H 3<5S+ 0 0 0 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.831 110.6 44.4 -63.3 -27.1 12.3 27.3 10.3 313 313 A V T 3<5S- 0 0 0 -4,-1.3 -96,-2.3 -5,-0.2 -1,-0.3 0.357 118.2-111.3-101.6 14.8 9.9 30.1 11.1 314 314 A G T < 5S+ 0 0 16 -3,-1.9 2,-0.6 1,-0.2 -3,-0.2 0.751 70.6 138.8 73.1 26.7 11.4 30.6 14.6 315 315 A V < 0 0 3 -5,-3.1 -1,-0.2 -6,-0.1 -2,-0.2 -0.916 360.0 360.0-104.2 117.5 8.4 29.3 16.5 316 316 A K 0 0 156 -2,-0.6 -31,-0.2 -3,-0.1 -30,-0.2 -0.645 360.0 360.0-105.9 360.0 9.3 27.1 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 0.0 318 801 A V 0 0 8 0, 0.0 -204,-0.1 0, 0.0 -206,-0.1 0.000 360.0 360.0 360.0 -29.5 -10.3 38.8 3.5 319 802 A K 0 0 102 -206,-0.3 -206,-0.1 -117,-0.0 -93,-0.0 -0.955 360.0 360.0-154.7 360.0 -7.9 41.7 4.4