==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 02-NOV-98 1TLX . COMPND 2 MOLECULE: THERMOLYSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS THERMOPROTEOLYTICUS; . AUTHOR A.C.ENGLISH,S.H.DONE,C.R.GROOM,R.E.HUBBARD . 318 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12651.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 223 70.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 3.8 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 . 18 5.7 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 . 104 32.7 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 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 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 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 0.000 360.0 360.0 360.0 147.3 8.3 52.2 0.0 2 2 A T + 0 0 137 21,-0.0 2,-0.3 23,-0.0 21,-0.0 -0.853 360.0 104.8 -97.0 121.6 6.3 55.4 0.6 3 3 A G - 0 0 37 -2,-0.5 2,-0.5 22,-0.0 22,-0.2 -0.922 69.2 -53.8-167.2-157.5 6.5 56.5 4.2 4 4 A T E -A 24 0A 95 20,-2.3 20,-3.6 -2,-0.3 2,-0.2 -0.859 47.8-121.9-106.6 134.2 7.9 59.0 6.6 5 5 A S E +A 23 0A 66 -2,-0.5 2,-0.2 18,-0.2 18,-0.2 -0.496 45.4 154.2 -70.6 136.3 11.7 59.5 6.9 6 6 A T E -A 22 0A 55 16,-2.4 16,-2.3 -2,-0.2 2,-0.4 -0.823 39.3-109.0-149.5-176.4 13.1 58.9 10.4 7 7 A V E -A 21 0A 78 -2,-0.2 14,-0.2 14,-0.2 2,-0.2 -0.994 28.8-178.2-126.0 126.1 16.3 57.9 12.1 8 8 A G E -A 20 0A 4 12,-3.0 12,-2.6 -2,-0.4 2,-0.3 -0.531 16.2-134.8-112.2-179.6 16.9 54.5 13.8 9 9 A V E +Ab 19 61A 32 51,-1.7 53,-3.8 10,-0.2 2,-0.3 -0.962 31.0 143.6-137.2 150.1 19.9 53.2 15.8 10 10 A G E -Ab 18 62A 0 8,-2.3 8,-2.8 -2,-0.3 2,-0.4 -0.968 42.2 -94.0-164.3-171.3 21.8 50.0 15.7 11 11 A R E -A 17 0A 115 51,-2.2 6,-0.2 -2,-0.3 60,-0.2 -0.983 31.6-141.1-122.6 138.5 25.2 48.2 16.0 12 12 A G > - 0 0 4 4,-2.5 3,-2.2 -2,-0.4 56,-0.2 -0.057 40.7 -80.8 -84.5-174.0 27.4 47.3 13.1 13 13 A V T 3 S+ 0 0 31 55,-0.5 55,-0.1 1,-0.3 122,-0.1 0.859 128.9 49.9 -59.5 -36.7 29.6 44.2 12.5 14 14 A L T 3 S- 0 0 75 54,-0.1 -1,-0.3 121,-0.1 -2,-0.0 0.316 121.5-103.9 -88.6 7.7 32.4 45.4 14.8 15 15 A G S < S+ 0 0 45 -3,-2.2 2,-0.3 1,-0.3 -2,-0.1 0.505 74.6 139.4 89.8 -0.1 30.0 46.2 17.6 16 16 A D - 0 0 52 1,-0.0 -4,-2.5 0, 0.0 2,-0.3 -0.595 49.6-126.7 -79.8 141.6 30.0 50.1 17.2 17 17 A Q E +A 11 0A 128 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.2 -0.674 34.9 168.4 -93.5 138.4 26.7 51.9 17.5 18 18 A K E -A 10 0A 16 -8,-2.8 -8,-2.3 -2,-0.3 2,-0.3 -0.995 34.3-116.3-146.3 158.6 25.5 54.2 14.8 19 19 A N E -A 9 0A 109 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.2 -0.640 33.0-169.5 -87.3 142.6 22.4 56.1 13.6 20 20 A I E -A 8 0A 3 -12,-2.6 -12,-3.0 -2,-0.3 2,-0.4 -0.997 25.1-114.1-137.9 150.5 20.9 55.1 10.3 21 21 A N E +A 7 0A 40 -2,-0.4 -14,-0.2 -14,-0.2 2,-0.2 -0.649 43.8 169.8 -85.1 122.7 18.2 56.7 8.1 22 22 A T E -A 6 0A 1 -16,-2.3 -16,-2.4 -2,-0.4 2,-0.4 -0.707 28.8-126.3-126.7 178.0 15.1 54.6 7.8 23 23 A T E -AC 5 29A 0 6,-1.7 6,-3.0 -18,-0.2 2,-0.5 -1.000 18.8-143.0-131.8 135.5 11.6 54.9 6.5 24 24 A Y E +AC 4 28A 97 -20,-3.6 -20,-2.3 -2,-0.4 4,-0.2 -0.841 40.1 135.4-108.4 128.7 8.4 54.3 8.5 25 25 A S S S- 0 0 48 2,-3.1 2,-2.7 -2,-0.5 -2,-0.0 -0.634 94.1 -47.9-163.1 78.2 5.3 52.7 7.1 26 26 A T S S+ 0 0 115 -2,-0.2 2,-0.2 32,-0.0 -2,-0.1 -0.398 140.6 37.1 81.5 -63.9 3.9 50.1 9.4 27 27 A Y S S- 0 0 115 -2,-2.7 -2,-3.1 -4,-0.1 2,-0.5 -0.628 93.9-113.3-102.4 172.3 7.4 48.7 9.6 28 28 A Y E -CD 24 57A 55 29,-3.2 29,-2.7 -4,-0.2 2,-0.3 -0.927 39.9-161.1-100.4 124.3 10.7 50.7 9.7 29 29 A Y E -CD 23 56A 41 -6,-3.0 2,-2.2 -2,-0.5 -6,-1.7 -0.836 29.1-113.1-107.3 154.6 12.6 49.9 6.5 30 30 A L S S+ 0 0 0 25,-2.3 11,-2.1 -2,-0.3 2,-0.4 -0.519 72.2 127.7 -82.9 82.2 16.3 50.3 5.6 31 31 A Q E -E 40 0B 9 -2,-2.2 2,-0.7 9,-0.2 9,-0.2 -0.942 44.7-159.4-140.1 117.7 15.5 53.0 3.1 32 32 A D E > +E 39 0B 3 7,-2.9 7,-1.7 -2,-0.4 3,-0.5 -0.891 11.2 179.1-103.9 113.7 17.4 56.3 3.3 33 33 A N T 3 + 0 0 60 -2,-0.7 -1,-0.1 -11,-0.3 5,-0.1 0.385 67.0 80.2 -90.6 0.2 15.5 59.1 1.5 34 34 A T T 3 S+ 0 0 85 1,-0.2 2,-0.5 5,-0.1 -1,-0.2 0.543 84.5 64.2 -84.5 -11.6 18.0 61.8 2.3 35 35 A R S X S- 0 0 48 -3,-0.5 3,-2.3 4,-0.1 -1,-0.2 -0.926 111.6 -63.7-121.5 120.2 20.5 60.9 -0.4 36 36 A G T 3 S- 0 0 27 -2,-0.5 62,-0.1 1,-0.3 3,-0.1 -0.205 113.1 -20.1 47.5-133.9 19.6 61.1 -4.1 37 37 A D T 3 S- 0 0 110 60,-1.6 -1,-0.3 1,-0.3 62,-0.2 0.286 119.3 -81.7 -88.1 16.3 16.8 58.7 -5.1 38 38 A G < - 0 0 2 -3,-2.3 62,-2.4 60,-0.2 2,-0.4 -0.101 28.2-107.5 113.4 153.7 17.5 56.7 -2.0 39 39 A I E -Ef 32 100B 0 -7,-1.7 -7,-2.9 60,-0.2 2,-0.4 -0.994 36.3-170.5-120.5 129.8 19.7 54.0 -0.5 40 40 A F E -Ef 31 101B 23 60,-2.7 62,-2.0 -2,-0.4 2,-0.4 -0.983 7.8-162.1-128.3 127.5 17.9 50.6 -0.0 41 41 A T E - f 0 102B 0 -11,-2.1 14,-2.7 -2,-0.4 -11,-0.3 -0.948 11.7-164.8-119.0 133.2 19.2 47.6 1.9 42 42 A Y E -Gf 54 103B 26 60,-2.9 62,-2.6 -2,-0.4 2,-0.6 -0.797 20.7-128.6-120.2 157.0 17.8 44.1 1.4 43 43 A D E -Gf 53 104B 22 10,-2.9 10,-2.1 -2,-0.3 62,-0.2 -0.929 15.3-174.7-101.3 114.1 17.8 40.8 3.2 44 44 A A > - 0 0 3 60,-2.9 3,-2.5 -2,-0.6 5,-0.3 0.477 30.8-142.3 -85.7 -4.8 18.8 37.9 0.8 45 45 A K T 3 - 0 0 109 59,-0.3 61,-0.2 1,-0.3 60,-0.1 0.784 62.0 -56.4 57.0 41.7 18.2 35.5 3.8 46 46 A Y T 3 S+ 0 0 110 59,-2.8 -1,-0.3 1,-0.3 2,-0.2 0.555 114.4 110.8 67.8 14.8 21.1 33.2 3.0 47 47 A R S < S- 0 0 177 -3,-2.5 60,-2.5 58,-0.3 -1,-0.3 -0.518 70.9-129.4-110.4-179.3 19.8 32.5 -0.6 48 48 A T S S+ 0 0 85 58,-0.2 2,-0.3 -2,-0.2 -3,-0.1 0.302 72.3 111.1-111.8 7.1 21.4 33.6 -3.9 49 49 A T S S- 0 0 95 -5,-0.3 -2,-0.2 2,-0.1 58,-0.1 -0.607 70.7-102.5 -80.8 132.8 18.2 35.1 -5.4 50 50 A L S S- 0 0 58 -2,-0.3 -2,-0.1 1,-0.2 71,-0.0 -0.922 80.7 -1.0-120.1 148.4 18.5 38.9 -5.6 51 51 A P S S- 0 0 45 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.980 77.7-167.3 -85.7 -12.5 17.7 41.4 -4.3 52 52 A G - 0 0 35 -8,-0.1 2,-0.4 -10,-0.1 -8,-0.2 -0.774 48.5 -28.0 95.6-148.3 15.7 39.6 -1.6 53 53 A S E -G 43 0B 51 -10,-2.1 -10,-2.9 -2,-0.3 -8,-0.1 -0.858 65.4-104.4-111.2 138.4 13.3 41.6 0.6 54 54 A L E -G 42 0B 31 -2,-0.4 2,-0.3 -12,-0.2 -12,-0.3 -0.392 55.4 -98.4 -56.5 135.0 13.6 45.3 1.5 55 55 A W - 0 0 13 -14,-2.7 -25,-2.3 -25,-0.3 2,-0.4 -0.404 48.2-170.5 -70.2 122.8 14.9 45.1 5.2 56 56 A A E -D 29 0A 46 -2,-0.3 2,-0.4 -27,-0.2 -27,-0.2 -0.909 6.6-176.6-113.6 142.9 11.9 45.6 7.5 57 57 A D E -D 28 0A 21 -29,-2.7 -29,-3.2 -2,-0.4 3,-0.1 -0.995 23.6-141.9-147.3 140.0 12.1 46.0 11.2 58 58 A A S S+ 0 0 77 -2,-0.4 -1,-0.1 -31,-0.2 -29,-0.1 0.813 94.6 19.3 -76.4 -33.2 9.4 46.4 13.9 59 59 A D S S- 0 0 94 2,-0.2 -1,-0.2 -31,-0.1 3,-0.1 0.258 93.9-115.1-125.9 13.6 10.9 49.0 16.3 60 60 A N S S+ 0 0 17 1,-0.2 -51,-1.7 -32,-0.2 2,-0.4 0.661 81.0 114.3 65.9 24.5 13.6 50.9 14.4 61 61 A Q E -b 9 0A 105 -53,-0.2 2,-0.4 -51,-0.0 3,-0.2 -0.941 47.8-165.7-125.6 105.8 16.5 49.5 16.9 62 62 A F E +b 10 0A 0 -53,-3.8 -51,-2.2 -2,-0.4 9,-0.1 -0.450 43.0 124.3-107.6 73.4 18.9 47.3 15.0 63 63 A F + 0 0 55 -2,-0.4 -1,-0.2 -53,-0.2 2,-0.1 0.343 36.5 111.8-105.7 3.1 20.9 45.5 17.8 64 64 A A S >> S- 0 0 53 -3,-0.2 3,-0.9 1,-0.1 4,-0.9 -0.478 75.2-124.1 -75.3 152.5 20.2 41.9 16.8 65 65 A S G >4 S+ 0 0 115 1,-0.3 3,-0.9 2,-0.2 -1,-0.1 0.911 113.2 58.7 -68.0 -28.0 23.3 40.1 15.5 66 66 A Y G 34 S+ 0 0 70 1,-0.2 4,-0.4 2,-0.1 -1,-0.3 0.755 103.3 55.1 -64.0 -32.2 21.4 39.2 12.3 67 67 A D G X> S+ 0 0 16 -3,-0.9 4,-2.7 1,-0.2 3,-0.6 0.722 83.9 87.0 -70.3 -25.0 21.0 43.0 11.7 68 68 A A H S+ 0 0 4 0, 0.0 4,-2.2 0, 0.0 -1,-0.3 0.879 113.8 50.9 -66.3 -33.0 25.7 43.5 8.3 70 70 A A H <> S+ 0 0 0 -3,-0.6 4,-2.2 -4,-0.4 5,-0.3 0.911 107.3 54.1 -70.7 -43.6 22.5 45.4 7.2 71 71 A V H X S+ 0 0 0 -4,-2.7 4,-2.8 -60,-0.2 -1,-0.2 0.951 114.0 40.1 -52.9 -51.5 23.4 48.3 9.5 72 72 A D H X S+ 0 0 0 -4,-2.1 4,-3.1 2,-0.2 5,-0.3 0.863 113.0 52.4 -70.0 -40.1 26.9 48.7 8.1 73 73 A A H X S+ 0 0 0 -4,-2.2 4,-1.8 -5,-0.2 -1,-0.2 0.921 115.2 44.1 -58.2 -42.9 26.0 48.1 4.4 74 74 A H H X S+ 0 0 4 -4,-2.2 4,-1.5 -5,-0.2 -2,-0.2 0.972 118.3 43.1 -65.0 -46.5 23.3 50.8 4.8 75 75 A Y H X S+ 0 0 91 -4,-2.8 4,-2.0 -5,-0.3 -2,-0.2 0.883 113.8 47.9 -70.5 -46.6 25.5 53.2 6.7 76 76 A Y H X S+ 0 0 4 -4,-3.1 4,-2.5 1,-0.2 -1,-0.2 0.842 105.9 58.1 -75.6 -24.4 28.6 52.8 4.6 77 77 A A H X S+ 0 0 0 -4,-1.8 4,-2.3 -5,-0.3 -1,-0.2 0.910 107.3 49.9 -65.0 -38.9 26.8 53.3 1.3 78 78 A G H X S+ 0 0 1 -4,-1.5 4,-2.7 2,-0.2 -2,-0.2 0.946 110.5 49.2 -63.9 -40.5 25.6 56.7 2.7 79 79 A V H X S+ 0 0 16 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.934 112.2 47.9 -63.7 -45.0 29.2 57.6 3.7 80 80 A T H X S+ 0 0 2 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.896 110.5 51.8 -61.3 -42.2 30.5 56.6 0.2 81 81 A Y H X S+ 0 0 17 -4,-2.3 4,-2.5 1,-0.2 11,-0.2 0.950 111.0 48.8 -59.7 -43.0 27.6 58.6 -1.5 82 82 A D H X S+ 0 0 37 -4,-2.7 4,-3.2 2,-0.2 5,-0.4 0.880 108.3 53.8 -64.8 -41.4 28.6 61.7 0.7 83 83 A Y H X>S+ 0 0 11 -4,-2.2 4,-2.7 -5,-0.2 5,-0.7 0.982 112.3 42.9 -58.6 -52.2 32.3 61.3 -0.3 84 84 A Y H X5S+ 0 0 8 -4,-2.5 6,-2.8 1,-0.2 4,-0.9 0.873 119.1 44.9 -65.2 -32.7 31.5 61.3 -4.0 85 85 A K H X5S+ 0 0 87 -4,-2.5 4,-0.9 4,-0.2 -1,-0.2 0.969 120.8 36.0 -71.1 -54.7 29.0 64.2 -3.6 86 86 A N H <5S+ 0 0 95 -4,-3.2 -2,-0.2 -5,-0.2 -3,-0.2 0.787 128.8 31.0 -70.3 -42.6 31.1 66.4 -1.3 87 87 A V H <5S+ 0 0 53 -4,-2.7 -3,-0.2 -5,-0.4 -2,-0.1 0.874 135.6 21.1 -86.3 -41.0 34.6 65.8 -2.7 88 88 A H H < S- 0 0 6 -2,-0.8 3,-1.0 -11,-0.2 5,-0.1 0.080 93.3 -55.9 62.0-172.4 25.5 58.8 -6.9 93 93 A Y T 3 S+ 0 0 26 5,-0.3 58,-0.2 1,-0.3 -1,-0.2 0.807 137.1 43.8 -78.0 -23.9 27.3 56.3 -9.2 94 94 A D T 3 S- 0 0 48 -3,-0.2 -1,-0.3 4,-0.1 -2,-0.2 0.393 109.7-115.3 -95.7 -1.2 25.7 57.4 -12.5 95 95 A G S < S+ 0 0 36 -3,-1.0 -4,-0.3 -4,-0.5 -3,-0.2 0.477 103.1 81.2 81.2 5.4 26.0 61.1 -11.8 96 96 A N S S- 0 0 123 -5,-0.1 -4,-0.2 -6,-0.1 -3,-0.1 -0.133 112.8 -96.1-131.8 22.4 22.2 61.4 -11.7 97 97 A N - 0 0 35 -6,-2.3 -60,-1.6 1,-0.1 -5,-0.2 0.845 54.1-173.3 65.3 35.4 21.4 60.3 -8.2 98 98 A A - 0 0 17 -7,-0.5 -5,-0.3 -62,-0.1 -60,-0.2 -0.317 34.8 -98.2 -53.7 140.1 20.6 56.6 -9.2 99 99 A A - 0 0 17 -62,-0.2 2,-0.5 -63,-0.1 -60,-0.2 -0.308 34.2-135.8 -60.7 138.4 19.2 54.6 -6.2 100 100 A I E -f 39 0B 7 -62,-2.4 -60,-2.7 -3,-0.1 2,-0.4 -0.905 23.2-171.6-103.6 126.4 21.8 52.5 -4.4 101 101 A R E +f 40 0B 92 -2,-0.5 19,-2.6 17,-0.2 2,-0.3 -0.969 7.1 177.6-122.1 138.9 20.8 49.0 -3.5 102 102 A S E -fh 41 120B 0 -62,-2.0 -60,-2.9 -2,-0.4 2,-0.4 -0.990 12.4-158.0-137.1 143.9 22.6 46.4 -1.4 103 103 A S E -fh 42 121B 0 17,-1.9 19,-2.2 -2,-0.3 3,-0.2 -0.968 12.6-167.5-116.9 140.0 21.7 42.9 -0.3 104 104 A V E +f 43 0B 0 -62,-2.6 -60,-2.9 -2,-0.4 -59,-0.3 -0.679 63.7 43.5-121.0 174.7 23.3 41.3 2.7 105 105 A H S S+ 0 0 6 17,-0.3 -59,-2.8 -2,-0.2 2,-0.4 0.883 74.5 177.1 57.3 39.0 23.3 37.7 4.0 106 106 A Y - 0 0 36 16,-1.8 18,-0.5 -3,-0.2 4,-0.4 -0.682 50.4 -33.2 -72.9 125.4 23.9 36.5 0.5 107 107 A S S S- 0 0 32 -60,-2.5 2,-0.4 -2,-0.4 -60,-0.1 -0.069 91.9 -63.0 58.0-159.7 24.2 32.7 0.3 108 108 A Q S S- 0 0 156 1,-0.1 -1,-0.1 15,-0.1 18,-0.1 -0.975 108.7 -9.0-126.5 120.3 25.9 30.7 3.2 109 109 A G S S+ 0 0 43 -2,-0.4 2,-0.6 16,-0.3 17,-0.2 0.857 83.9 171.4 66.5 27.4 29.5 31.1 4.3 110 110 A Y - 0 0 73 -4,-0.4 15,-2.2 15,-0.3 2,-1.0 -0.649 24.0-158.8 -85.7 121.6 30.2 33.3 1.3 111 111 A N + 0 0 32 -2,-0.6 2,-0.3 13,-0.1 -1,-0.1 -0.324 61.0 54.8 -94.4 49.7 33.7 34.9 1.5 112 112 A N - 0 0 26 -2,-1.0 11,-2.8 206,-0.1 2,-0.3 -0.981 55.2-149.2-165.1 178.4 33.2 37.8 -0.9 113 113 A A E +I 122 0B 0 -2,-0.3 206,-0.3 9,-0.2 2,-0.3 -0.951 24.2 171.4-151.8 155.3 31.2 40.9 -1.8 114 114 A F E -I 121 0B 47 7,-2.3 7,-2.0 -2,-0.3 2,-0.5 -0.985 39.0-118.9-168.6 158.6 30.6 42.4 -5.3 115 115 A W E -I 120 0B 24 -2,-0.3 5,-0.2 5,-0.2 -13,-0.0 -0.879 27.6-166.2 -96.0 120.1 28.9 44.9 -7.5 116 116 A N - 0 0 69 3,-2.8 4,-0.1 -2,-0.5 -1,-0.1 0.133 52.6 -89.0 -98.6 15.8 27.0 42.8 -10.0 117 117 A G S S+ 0 0 36 2,-0.2 3,-0.1 1,-0.1 -2,-0.1 0.197 124.1 39.4 99.5 -19.0 26.1 45.6 -12.5 118 118 A S S S- 0 0 86 1,-0.4 2,-0.3 -17,-0.0 -17,-0.2 0.532 122.4 -8.3-134.5 -25.3 22.9 46.6 -10.8 119 119 A E S S- 0 0 13 -19,-0.1 -3,-2.8 -5,-0.0 -1,-0.4 -0.981 70.3 -86.2-163.3 174.3 23.6 46.4 -7.0 120 120 A M E -hI 102 115B 0 -19,-2.6 -17,-1.9 -2,-0.3 2,-0.4 -0.641 32.8-168.2 -93.3 144.8 25.9 45.5 -4.2 121 121 A V E -hI 103 114B 0 -7,-2.0 -7,-2.3 -2,-0.3 2,-0.4 -0.996 1.7-168.6-133.2 133.0 25.9 42.0 -2.7 122 122 A Y E - 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0 0 84 -2,-0.4 -9,-0.3 -9,-0.2 53,-0.1 -0.805 29.5-126.9 -85.4 125.6 57.9 63.4 -3.6 257 257 A G - 0 0 29 -2,-0.6 -12,-0.3 -11,-0.4 -13,-0.2 -0.442 21.4-169.7 -70.8 147.4 54.4 62.8 -2.3 258 258 A I - 0 0 28 -14,-3.3 4,-0.4 1,-0.2 -13,-0.2 0.418 46.2-108.4-118.2 0.9 51.6 65.3 -3.0 259 259 A G > - 0 0 25 -14,-2.0 4,-1.9 -15,-0.5 -1,-0.2 0.000 28.8 -75.9 100.8 168.3 49.0 64.0 -0.6 260 260 A R H > S+ 0 0 91 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.807 119.8 57.5 -75.7 -41.6 45.6 62.2 -0.7 261 261 A D H > S+ 0 0 122 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.930 111.0 41.5 -58.8 -49.9 43.4 65.0 -1.8 262 262 A K H > S+ 0 0 74 -4,-0.4 4,-3.0 2,-0.2 5,-0.2 0.870 111.5 57.9 -66.6 -40.5 45.4 65.7 -5.0 263 263 A L H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 5,-0.3 0.949 109.0 45.2 -48.5 -53.9 45.7 61.9 -5.6 264 264 A G H X S+ 0 0 3 -4,-2.5 4,-2.3 2,-0.2 5,-0.3 0.928 112.7 51.0 -58.0 -44.4 41.9 61.6 -5.6 265 265 A K H X S+ 0 0 97 -4,-2.2 4,-2.2 1,-0.2 5,-0.2 0.929 112.7 45.6 -64.6 -42.5 41.5 64.7 -7.9 266 266 A I H X S+ 0 0 0 -4,-3.0 4,-2.6 1,-0.2 -2,-0.2 0.947 116.7 42.9 -65.4 -48.8 43.9 63.4 -10.4 267 267 A F H X S+ 0 0 0 -4,-2.6 4,-2.6 -5,-0.2 -1,-0.2 0.848 113.0 52.5 -70.1 -32.1 42.6 59.8 -10.5 268 268 A Y H X S+ 0 0 30 -4,-2.3 4,-2.7 -5,-0.3 5,-0.2 0.955 112.5 45.6 -68.1 -41.7 38.9 60.9 -10.6 269 269 A R H X>S+ 0 0 73 -4,-2.2 4,-2.1 -5,-0.3 5,-0.6 0.925 112.9 49.5 -64.0 -47.2 39.6 63.2 -13.5 270 270 A A H X>S+ 0 0 0 -4,-2.6 5,-2.2 1,-0.2 4,-1.6 0.932 114.1 47.6 -56.3 -45.9 41.6 60.5 -15.3 271 271 A L H <5S+ 0 0 1 -4,-2.6 -118,-0.4 1,-0.2 -2,-0.2 0.894 119.0 35.9 -60.5 -45.4 38.7 58.0 -14.7 272 272 A T H <5S+ 0 0 42 -4,-2.7 -1,-0.2 -5,-0.1 -2,-0.2 0.646 130.3 26.1 -91.3 -15.1 35.9 60.3 -15.8 273 273 A Q H <5S+ 0 0 120 -4,-2.1 -3,-0.2 -5,-0.2 -2,-0.2 0.634 128.9 20.7-117.4 -28.9 37.5 62.1 -18.7 274 274 A Y T < - 0 0 63 -2,-0.1 3,-2.0 -122,-0.1 -120,-0.1 -0.793 41.1 -85.7-126.1 175.1 38.2 54.1 -22.0 277 277 A P T 3 S+ 0 0 64 0, 0.0 -121,-2.5 0, 0.0 -123,-0.1 0.775 125.8 36.3 -53.2 -34.7 37.0 50.4 -21.8 278 278 A T T 3 S+ 0 0 98 -123,-0.2 -117,-0.1 -125,-0.1 -118,-0.1 0.186 81.4 142.4-109.7 19.5 40.3 49.0 -23.1 279 279 A S < - 0 0 3 -3,-2.0 -115,-0.2 -126,-0.1 2,-0.1 -0.291 32.1-161.2 -55.6 140.9 42.9 51.3 -21.5 280 280 A N > - 0 0 62 -120,-0.1 4,-2.3 -119,-0.1 5,-0.2 -0.418 36.3 -82.2-120.3-170.1 46.0 49.7 -20.4 281 281 A F H > S+ 0 0 1 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.951 126.7 50.4 -60.0 -41.8 48.7 50.7 -17.9 282 282 A S H > S+ 0 0 58 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.922 112.2 47.9 -65.0 -33.5 50.7 52.8 -20.3 283 283 A Q H > S+ 0 0 91 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.890 107.9 55.9 -76.1 -27.3 47.5 54.7 -21.2 284 284 A L H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 5,-0.3 0.945 105.7 51.9 -62.9 -43.4 46.6 55.1 -17.5 285 285 A R H X S+ 0 0 39 -4,-2.5 4,-2.6 -5,-0.2 -1,-0.2 0.947 112.0 45.6 -58.6 -46.0 50.0 56.8 -17.0 286 286 A A H X S+ 0 0 58 -4,-1.7 4,-2.6 1,-0.2 5,-0.2 0.929 112.6 50.9 -65.2 -37.9 49.2 59.2 -19.9 287 287 A A H X S+ 0 0 7 -4,-3.0 4,-2.4 1,-0.2 -1,-0.2 0.913 112.2 47.1 -63.4 -43.2 45.7 59.8 -18.6 288 288 A A H X S+ 0 0 0 -4,-2.8 4,-2.8 2,-0.2 5,-0.3 0.920 112.0 48.9 -69.2 -38.1 47.1 60.6 -15.2 289 289 A V H X S+ 0 0 28 -4,-2.6 4,-2.5 -5,-0.3 -2,-0.2 0.953 113.1 47.5 -63.6 -45.7 49.8 62.9 -16.5 290 290 A Q H X S+ 0 0 84 -4,-2.6 4,-2.9 2,-0.2 -2,-0.2 0.913 112.5 50.4 -62.8 -38.5 47.2 64.8 -18.6 291 291 A S H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.920 111.5 45.6 -65.7 -51.1 44.9 65.1 -15.7 292 292 A A H X S+ 0 0 0 -4,-2.8 4,-2.8 2,-0.2 5,-0.4 0.876 113.4 53.1 -59.6 -36.3 47.5 66.4 -13.3 293 293 A T H X S+ 0 0 35 -4,-2.5 4,-2.5 -5,-0.3 -2,-0.2 0.959 108.1 49.5 -62.2 -48.0 48.5 68.8 -16.2 294 294 A D H < S+ 0 0 61 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.858 119.9 37.0 -54.6 -45.4 45.0 70.0 -16.6 295 295 A L H < S+ 0 0 68 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.789 134.3 14.9 -81.5 -37.4 44.7 70.7 -12.9 296 296 A Y H < S- 0 0 61 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.485 106.9 -96.3-123.7 0.1 48.1 72.0 -11.9 297 297 A G >< - 0 0 32 -4,-2.5 3,-1.8 -5,-0.4 6,-0.4 0.203 35.8 -90.0 94.1 143.9 50.1 73.0 -15.0 298 298 A S T 3 S+ 0 0 84 1,-0.3 -1,-0.1 -5,-0.1 -5,-0.1 0.667 125.6 47.1 -66.5 -14.1 52.7 71.0 -17.0 299 299 A T T 3 S+ 0 0 141 -6,-0.1 -1,-0.3 -3,-0.1 -2,-0.1 0.288 87.5 120.4-111.6 17.0 55.6 72.2 -15.0 300 300 A S S <> S- 0 0 18 -3,-1.8 4,-1.8 1,-0.1 5,-0.1 -0.271 74.6-120.8 -70.9 163.0 54.0 71.6 -11.6 301 301 A Q H > S+ 0 0 99 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.839 112.6 64.9 -64.0 -34.0 55.4 69.3 -8.9 302 302 A E H > S+ 0 0 23 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.918 103.3 43.6 -58.5 -52.5 52.2 67.3 -9.2 303 303 A V H > S+ 0 0 2 -6,-0.4 4,-2.2 -11,-0.2 5,-0.2 0.943 112.9 53.8 -57.3 -44.2 52.9 66.3 -12.8 304 304 A A H X S+ 0 0 43 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.938 108.6 49.0 -60.1 -44.9 56.5 65.6 -11.8 305 305 A S H X S+ 0 0 0 -4,-3.1 4,-2.1 1,-0.2 -1,-0.2 0.841 107.1 54.2 -62.1 -38.2 55.4 63.2 -9.0 306 306 A V H X S+ 0 0 0 -4,-1.8 4,-1.9 -5,-0.2 -1,-0.2 0.925 111.0 47.2 -63.2 -40.0 52.9 61.3 -11.2 307 307 A K H X S+ 0 0 86 -4,-2.2 4,-2.9 1,-0.2 -2,-0.2 0.912 112.0 48.2 -66.9 -44.9 55.7 60.6 -13.7 308 308 A Q H X S+ 0 0 81 -4,-2.3 4,-3.3 -5,-0.2 -1,-0.2 0.905 110.0 53.7 -61.9 -38.8 58.2 59.5 -11.0 309 309 A A H X S+ 0 0 0 -4,-2.1 4,-1.3 2,-0.2 -1,-0.2 0.912 112.4 41.9 -61.0 -47.2 55.7 57.2 -9.5 310 310 A F H <>S+ 0 0 0 -4,-1.9 5,-2.7 2,-0.2 4,-0.4 0.912 114.8 51.8 -69.2 -37.3 54.9 55.4 -12.8 311 311 A D H ><5S+ 0 0 47 -4,-2.9 3,-1.6 1,-0.2 -2,-0.2 0.936 106.3 55.9 -60.5 -40.3 58.6 55.3 -13.6 312 312 A A H 3<5S+ 0 0 0 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.828 110.6 43.2 -64.3 -28.8 59.2 53.8 -10.1 313 313 A V T 3<5S- 0 0 0 -4,-1.3 -96,-3.5 -3,-0.3 -1,-0.3 0.326 119.7-108.6 -97.7 8.4 56.8 50.9 -10.8 314 314 A G T < 5S+ 0 0 13 -3,-1.6 2,-0.7 -4,-0.4 -3,-0.2 0.721 70.1 142.4 83.3 17.3 58.2 50.4 -14.3 315 315 A V < 0 0 4 -5,-2.7 -1,-0.2 1,-0.2 -2,-0.1 -0.803 360.0 360.0-100.5 114.3 55.2 51.8 -16.3 316 316 A K 0 0 151 -2,-0.7 -1,-0.2 -3,-0.1 -5,-0.1 0.742 360.0 360.0-106.1 360.0 56.2 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 0.0 318 317 A V 0 0 7 0, 0.0 -204,-0.1 0, 0.0 -206,-0.1 0.000 360.0 360.0 360.0 -7.4 36.6 42.4 -3.4 319 318 A K 0 0 104 -206,-0.3 -206,-0.1 -208,-0.1 -117,-0.0 -0.976 360.0 360.0-150.4 360.0 38.9 39.4 -4.2