==== 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 (METALLOPROTEINASE) 08-FEB-82 4TLN . COMPND 2 MOLECULE: THERMOLYSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS THERMOPROTEOLYTICUS; . AUTHOR B.W.MATTHEWS,M.A.HOLMES . 317 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12552.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 227 71.6 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 . 35 11.0 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 . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 106 33.4 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 1 0 1 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 1 1 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 85 0, 0.0 2,-0.7 0, 0.0 23,-0.1 0.000 360.0 360.0 360.0 146.4 33.7 41.2 -0.2 2 2 A T + 0 0 141 21,-0.0 2,-0.3 23,-0.0 21,-0.0 -0.741 360.0 104.7 -89.7 121.6 33.3 44.9 0.4 3 3 A G - 0 0 40 -2,-0.7 2,-0.4 22,-0.0 22,-0.2 -0.933 68.8 -57.2-170.6-168.9 34.1 45.8 4.1 4 4 A T E -A 24 0A 83 20,-3.3 20,-3.4 -2,-0.3 2,-0.3 -0.726 48.0-123.5 -92.9 135.9 36.5 47.3 6.7 5 5 A S E +A 23 0A 68 -2,-0.4 2,-0.2 18,-0.2 18,-0.2 -0.695 45.7 153.1 -76.8 137.5 40.1 45.9 6.9 6 6 A T E -A 22 0A 42 16,-1.5 16,-2.2 -2,-0.3 2,-0.4 -0.718 39.1-111.3-145.2-174.9 40.9 44.6 10.5 7 7 A V E -A 21 0A 83 -2,-0.2 14,-0.2 14,-0.2 2,-0.2 -0.991 26.9-172.5-129.1 133.6 43.2 42.1 12.0 8 8 A G E -A 20 0A 5 12,-4.1 12,-1.7 -2,-0.4 2,-0.3 -0.625 16.5-131.4-120.8-176.6 42.2 38.8 13.8 9 9 A V E +Ab 19 61A 31 51,-1.5 53,-1.6 10,-0.3 10,-0.3 -0.986 30.3 159.9-126.0 144.7 44.2 36.1 15.8 10 10 A G E -Ab 18 62A 0 8,-3.6 8,-2.6 -2,-0.3 2,-0.5 -0.912 37.5-108.9-154.1 179.4 44.0 32.3 15.3 11 11 A R E -A 17 0A 108 51,-2.0 6,-0.3 -2,-0.3 60,-0.2 -0.949 33.2-137.1-115.0 136.1 46.0 29.1 16.1 12 12 A G > - 0 0 4 4,-3.4 3,-1.2 -2,-0.5 56,-0.2 -0.034 35.2 -86.2 -83.9-174.2 47.7 27.3 13.3 13 13 A V T 3 S+ 0 0 28 55,-0.5 55,-0.1 1,-0.2 122,-0.1 0.788 129.9 50.6 -63.4 -33.3 48.0 23.6 12.6 14 14 A L T 3 S- 0 0 88 54,-0.1 -1,-0.2 2,-0.1 3,-0.1 0.371 124.8-101.9 -86.1 -2.7 51.0 23.3 14.9 15 15 A G S < S+ 0 0 50 -3,-1.2 2,-0.3 1,-0.3 -2,-0.1 0.614 76.0 143.3 88.0 13.5 49.2 25.1 17.8 16 16 A D - 0 0 53 1,-0.1 -4,-3.4 0, 0.0 -1,-0.3 -0.700 44.7-128.2 -89.3 141.4 51.0 28.4 17.1 17 17 A Q E +A 11 0A 130 -2,-0.3 2,-0.3 -6,-0.3 -6,-0.2 -0.592 34.5 155.5 -96.4 144.4 49.3 31.7 17.5 18 18 A K E -A 10 0A 18 -8,-2.6 -8,-3.6 -2,-0.3 2,-0.3 -0.984 38.5-114.0-163.2 163.6 49.1 34.4 15.0 19 19 A N E -A 9 0A 103 -10,-0.3 2,-0.3 -2,-0.3 -10,-0.3 -0.627 30.8-173.6 -94.1 142.3 47.4 37.5 13.6 20 20 A I E -A 8 0A 5 -12,-1.7 -12,-4.1 -2,-0.3 2,-0.4 -0.953 29.5-106.9-141.9 151.6 45.9 37.4 10.2 21 21 A N E +A 7 0A 40 -2,-0.3 -14,-0.2 -14,-0.2 2,-0.2 -0.618 47.3 168.9 -83.4 136.2 44.4 40.1 8.0 22 22 A T E -A 6 0A 1 -16,-2.2 -16,-1.5 -2,-0.4 2,-0.4 -0.732 27.5-122.8-136.3-178.4 40.6 39.9 7.7 23 23 A T E -AC 5 29A 0 6,-1.1 6,-3.2 -2,-0.2 2,-0.5 -0.994 15.1-141.8-139.4 130.9 37.6 41.9 6.5 24 24 A Y E +AC 4 28A 96 -20,-3.4 -20,-3.3 -2,-0.4 4,-0.2 -0.807 40.5 136.2-103.6 125.2 34.6 43.0 8.3 25 25 A S S S- 0 0 47 2,-2.3 2,-3.1 -2,-0.5 -23,-0.0 -0.557 95.2 -53.4-163.3 84.1 31.1 43.0 6.8 26 26 A T S S+ 0 0 118 -2,-0.1 2,-0.2 32,-0.0 -2,-0.1 -0.386 138.9 43.4 67.3 -47.9 28.6 41.5 9.4 27 27 A Y S S- 0 0 114 -2,-3.1 -2,-2.3 -4,-0.1 2,-0.6 -0.609 96.4-111.7-109.3 172.8 30.9 38.5 9.6 28 28 A Y E -CD 24 57A 52 29,-3.2 29,-2.9 -2,-0.2 2,-0.3 -0.946 39.0-153.6-104.8 124.6 34.7 38.6 9.7 29 29 A Y E -CD 23 56A 40 -6,-3.2 2,-1.9 -2,-0.6 -6,-1.1 -0.677 26.2-122.7-102.6 145.1 36.1 37.2 6.5 30 30 A L S S+ 0 0 0 25,-2.7 11,-1.8 -2,-0.3 2,-0.4 -0.521 72.7 126.7 -81.8 71.4 39.4 35.5 5.7 31 31 A Q E -E 40 0B 9 -2,-1.9 2,-0.6 9,-0.2 9,-0.2 -0.976 46.2-158.6-132.1 114.3 40.0 38.3 3.0 32 32 A D E -E 39 0B 2 7,-3.0 7,-1.3 -2,-0.4 3,-0.3 -0.890 11.0-178.9-105.7 117.5 43.4 40.2 3.2 33 33 A N + 0 0 57 -2,-0.6 -1,-0.1 -11,-0.3 -28,-0.1 0.455 66.7 77.1 -94.2 -7.3 43.3 43.5 1.5 34 34 A T S S+ 0 0 87 1,-0.1 2,-0.6 5,-0.1 -1,-0.2 0.640 84.0 66.0 -85.4 -3.0 46.8 44.6 2.1 35 35 A R S > S- 0 0 45 -3,-0.3 3,-2.1 4,-0.1 -1,-0.1 -0.938 111.4 -65.6-123.8 119.7 48.4 42.5 -0.5 36 36 A G T 3 S- 0 0 27 -2,-0.6 62,-0.1 1,-0.3 63,-0.1 -0.159 111.8 -18.9 45.7-133.0 47.8 43.2 -3.9 37 37 A D T 3 S- 0 0 118 60,-1.7 -1,-0.3 1,-0.3 62,-0.2 0.369 118.5 -94.9 -87.3 10.5 44.2 42.5 -5.0 38 38 A G < - 0 0 1 -3,-2.1 62,-1.8 60,-0.2 2,-0.4 -0.028 24.4 -94.8 93.8 173.2 44.0 40.4 -1.9 39 39 A I E -Ef 32 100B 1 -7,-1.3 -7,-3.0 60,-0.2 2,-0.4 -0.973 35.9-169.2-118.6 124.6 44.2 36.9 -0.4 40 40 A F E -Ef 31 101B 20 60,-2.1 62,-1.2 -2,-0.4 2,-0.4 -0.951 4.2-161.8-113.6 127.1 41.0 34.9 -0.1 41 41 A T E - f 0 102B 0 -11,-1.8 14,-3.3 -2,-0.4 2,-0.3 -0.971 11.5-161.9-121.1 126.7 40.6 31.7 1.9 42 42 A Y E -Gf 54 103B 25 60,-3.7 62,-2.2 -2,-0.4 2,-0.6 -0.796 21.0-130.1-115.0 158.2 37.8 29.3 1.4 43 43 A D E -Gf 53 104B 23 10,-2.4 10,-2.6 -2,-0.3 62,-0.2 -0.890 15.8-176.9-102.3 110.5 36.0 26.5 3.2 44 44 A A > - 0 0 3 60,-2.4 3,-1.9 -2,-0.6 5,-0.3 0.582 31.2-144.0 -85.7 -8.4 35.6 23.5 0.8 45 45 A K T 3 - 0 0 107 59,-0.3 61,-0.2 1,-0.3 60,-0.1 0.685 62.3 -57.8 46.1 44.7 33.7 21.7 3.7 46 46 A Y T 3 S+ 0 0 108 59,-4.1 -1,-0.3 1,-0.3 2,-0.2 0.579 113.5 113.3 69.2 20.8 35.0 18.3 2.9 47 47 A R S < S- 0 0 175 -3,-1.9 60,-2.1 58,-0.4 -1,-0.3 -0.561 71.4-127.5-112.0-179.3 33.7 18.3 -0.7 48 48 A T S S+ 0 0 82 -2,-0.2 2,-0.4 58,-0.2 -3,-0.1 0.171 74.3 113.2-109.2 -2.5 35.6 18.4 -4.0 49 49 A T - 0 0 98 -5,-0.3 -2,-0.2 2,-0.1 58,-0.1 -0.808 68.6-104.9 -82.0 118.7 33.6 21.4 -5.3 50 50 A L S S- 0 0 54 -2,-0.4 -2,-0.1 1,-0.2 71,-0.0 -0.710 78.7 -4.5-110.5 153.0 35.8 24.4 -5.6 51 51 A P S S- 0 0 47 0, 0.0 2,-0.4 0, 0.0 -1,-0.2 -0.956 81.0-172.2 -75.3 -24.1 36.5 27.1 -4.3 52 52 A G - 0 0 34 -8,-0.1 2,-0.4 -10,-0.1 -8,-0.3 -0.850 47.6 -17.7 102.2-135.5 33.7 26.5 -1.8 53 53 A S E -G 43 0B 52 -10,-2.6 -10,-2.4 -2,-0.4 -8,-0.1 -0.943 65.8-110.8-108.6 138.5 32.6 29.3 0.6 54 54 A L E -G 42 0B 33 -2,-0.4 2,-0.3 -12,-0.2 -12,-0.3 -0.395 55.5 -97.1 -59.5 136.7 34.7 32.5 1.5 55 55 A W - 0 0 12 -14,-3.3 -25,-2.7 -25,-0.3 2,-0.4 -0.442 46.7-168.9 -65.3 123.6 35.6 31.8 5.2 56 56 A A E +D 29 0A 47 -2,-0.3 2,-0.4 -27,-0.2 -27,-0.2 -0.832 9.4 175.9-117.0 130.0 33.2 33.6 7.6 57 57 A D E -D 28 0A 20 -29,-2.9 -29,-3.2 -2,-0.4 5,-0.1 -0.968 25.4-142.7-130.3 144.1 33.8 33.9 11.3 58 58 A A S S+ 0 0 72 -2,-0.4 -1,-0.1 -31,-0.2 -29,-0.1 0.756 92.1 22.8 -85.9 -17.8 31.7 35.7 13.8 59 59 A D S S- 0 0 92 2,-0.3 -1,-0.1 -31,-0.1 3,-0.1 0.285 98.8-109.7-126.0 2.0 34.2 37.2 16.3 60 60 A N S S+ 0 0 19 1,-0.2 -51,-1.5 -32,-0.2 2,-0.5 0.686 82.8 118.8 76.3 13.2 37.6 37.4 14.5 61 61 A Q E -b 9 0A 95 -53,-0.2 -2,-0.3 -51,-0.0 -1,-0.2 -0.996 41.5-174.1-124.0 119.9 39.0 34.6 16.6 62 62 A F E +b 10 0A 0 -53,-1.6 -51,-2.0 -2,-0.5 9,-0.1 -0.737 40.3 125.5-113.3 59.5 40.1 31.4 14.7 63 63 A F + 0 0 67 -53,-0.3 2,-0.2 -2,-0.2 -1,-0.1 0.283 38.5 107.2-103.8 5.3 41.0 29.1 17.6 64 64 A A S >> S- 0 0 54 1,-0.1 3,-1.0 -3,-0.0 4,-0.8 -0.502 77.5-122.7 -79.3 157.0 38.7 26.2 16.7 65 65 A S G >4 S+ 0 0 112 1,-0.2 3,-0.9 2,-0.2 -1,-0.1 0.925 114.7 60.0 -67.4 -35.9 40.5 23.1 15.4 66 66 A Y G 34 S+ 0 0 66 1,-0.2 -1,-0.2 2,-0.1 4,-0.2 0.770 104.5 53.4 -56.4 -29.6 38.4 23.3 12.2 67 67 A D G X> S+ 0 0 15 -3,-1.0 4,-1.8 1,-0.2 3,-0.6 0.501 83.3 90.2 -73.3 -30.8 40.0 26.9 11.7 68 68 A A H S+ 0 0 4 0, 0.0 4,-2.1 0, 0.0 -1,-0.3 0.844 113.0 52.1 -65.7 -31.0 44.2 25.0 8.3 70 70 A A H <> S+ 0 0 0 -3,-0.6 4,-1.8 2,-0.2 5,-0.3 0.781 107.6 53.8 -71.9 -36.5 42.5 28.1 7.1 71 71 A V H X S+ 0 0 0 -4,-1.8 4,-2.6 -60,-0.2 5,-0.2 0.995 115.1 37.7 -56.5 -57.3 44.6 30.2 9.4 72 72 A D H X S+ 0 0 1 -4,-1.8 4,-2.4 2,-0.2 5,-0.2 0.832 115.1 53.2 -65.2 -44.3 47.9 28.8 8.0 73 73 A A H X S+ 0 0 0 -4,-2.1 4,-1.3 -5,-0.2 -1,-0.2 0.918 114.9 43.4 -57.8 -47.0 46.8 28.7 4.4 74 74 A H H X S+ 0 0 3 -4,-1.8 4,-1.0 -5,-0.2 -2,-0.2 0.929 120.2 38.9 -62.7 -53.4 45.8 32.3 4.7 75 75 A Y H X S+ 0 0 88 -4,-2.6 4,-1.7 -5,-0.3 -3,-0.2 0.918 113.1 52.0 -66.9 -44.4 48.9 33.5 6.5 76 76 A Y H X S+ 0 0 5 -4,-2.4 4,-1.3 2,-0.3 -1,-0.2 0.711 107.5 55.0 -67.3 -29.3 51.6 31.5 4.8 77 77 A A H X S+ 0 0 0 -4,-1.3 4,-1.5 2,-0.2 -1,-0.2 0.796 106.3 54.8 -69.3 -37.7 50.2 32.8 1.4 78 78 A G H X S+ 0 0 0 -4,-1.0 4,-1.7 1,-0.2 -2,-0.3 0.916 109.5 42.7 -64.7 -62.6 50.7 36.2 2.9 79 79 A V H X S+ 0 0 17 -4,-1.7 4,-2.0 1,-0.2 -1,-0.2 0.696 113.3 53.9 -62.7 -28.7 54.5 35.7 3.7 80 80 A T H X S+ 0 0 0 -4,-1.3 4,-2.3 2,-0.3 -1,-0.2 0.819 108.9 48.0 -63.4 -43.3 55.1 34.0 0.3 81 81 A Y H X S+ 0 0 10 -4,-1.5 4,-1.9 1,-0.2 5,-0.3 0.886 113.1 51.3 -66.5 -38.2 53.5 37.0 -1.5 82 82 A D H X S+ 0 0 41 -4,-1.7 4,-2.8 2,-0.2 -2,-0.3 0.913 106.9 50.5 -67.5 -41.5 55.8 39.1 0.6 83 83 A Y H X>S+ 0 0 11 -4,-2.0 4,-2.6 1,-0.2 5,-0.7 0.887 112.2 49.0 -60.8 -44.0 58.9 37.1 -0.2 84 84 A Y H X5S+ 0 0 2 -4,-2.3 6,-3.6 1,-0.2 4,-0.6 0.862 116.5 40.5 -63.4 -40.9 58.2 37.4 -3.9 85 85 A K H <5S+ 0 0 86 -4,-1.9 4,-0.4 4,-0.3 -1,-0.2 0.890 120.9 41.1 -78.2 -39.7 57.6 41.0 -3.8 86 86 A N H <5S+ 0 0 97 -4,-2.8 -2,-0.2 -5,-0.3 -3,-0.2 0.940 126.2 30.6 -79.7 -37.9 60.3 42.0 -1.4 87 87 A V H <5S+ 0 0 59 -4,-2.6 -3,-0.2 -5,-0.1 -2,-0.1 0.846 136.2 20.8 -87.3 -48.6 63.1 39.7 -2.8 88 88 A H S < - 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0 0 34 16,-1.7 4,-0.5 -60,-0.2 18,-0.4 -0.759 48.6 -25.7 -89.8 128.8 39.0 19.6 0.6 107 107 A S T 4 S- 0 0 32 -60,-2.1 2,-0.5 -2,-0.5 -61,-0.2 0.039 95.2 -61.5 60.8-168.0 37.6 16.1 0.4 108 108 A Q T 4 S- 0 0 164 1,-0.2 3,-0.2 15,-0.1 -1,-0.1 -0.987 111.1 -15.0-118.4 118.3 37.9 13.6 3.2 109 109 A G T 4 S+ 0 0 38 -2,-0.5 2,-0.6 16,-0.4 17,-0.2 0.802 83.3 178.2 53.0 51.8 41.4 12.6 4.4 110 110 A Y < - 0 0 69 -4,-0.5 15,-2.0 15,-0.3 2,-1.4 -0.678 20.5-153.4 -85.4 118.8 43.0 14.0 1.3 111 111 A N + 0 0 51 -2,-0.6 2,-0.3 -3,-0.2 -1,-0.1 -0.407 60.8 44.0 -91.6 68.2 46.7 13.6 1.5 112 112 A N - 0 0 45 -2,-1.4 11,-2.8 206,-0.0 2,-0.3 -0.983 56.6-139.0 174.3 173.5 48.0 16.4 -0.7 113 113 A A E +I 122 0B 0 -2,-0.3 2,-0.2 9,-0.2 9,-0.2 -0.886 26.5 172.1-147.3 155.0 47.8 19.9 -1.8 114 114 A F E -I 121 0B 46 7,-1.2 7,-2.4 -2,-0.3 2,-0.4 -0.934 37.7-118.6-164.8 164.8 48.1 21.4 -5.4 115 115 A W E -I 120 0B 25 5,-0.2 5,-0.3 -2,-0.2 -2,-0.0 -0.970 25.7-166.1-107.8 119.7 47.8 24.4 -7.7 116 116 A N - 0 0 71 3,-2.6 4,-0.1 -2,-0.4 -1,-0.1 0.140 56.3 -84.9-101.5 13.1 44.9 23.6 -10.2 117 117 A G S S+ 0 0 37 2,-0.2 3,-0.1 0, 0.0 -2,-0.0 0.067 124.5 31.6 104.3 -19.1 45.7 26.5 -12.7 118 118 A S S S+ 0 0 76 1,-0.7 2,-0.3 -17,-0.0 -17,-0.2 0.604 121.4 12.8-148.8 -1.8 43.7 29.0 -10.8 119 119 A E - 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0 0 96 -3,-1.3 2,-0.5 -4,-0.4 9,-0.1 -0.063 56.2-119.3 -40.0 141.5 67.3 9.3 -13.7 221 221 A Y - 0 0 66 8,-0.2 -1,-0.1 1,-0.1 12,-0.1 -0.800 28.9-177.2 -95.4 130.2 63.9 7.4 -13.8 222 222 A T + 0 0 116 -2,-0.5 -1,-0.1 -63,-0.0 -2,-0.1 0.440 47.1 86.0-107.5 -4.8 62.7 6.6 -17.3 223 223 A G S S- 0 0 38 1,-0.1 -2,-0.0 6,-0.0 0, 0.0 0.200 80.9 -94.8 -73.0-149.2 59.3 4.9 -17.0 224 224 A T S >> S+ 0 0 125 4,-0.1 3,-0.7 3,-0.1 4,-0.6 0.394 73.2 105.6-105.1 -29.2 55.9 6.2 -16.7 225 225 A Q H >> S+ 0 0 140 1,-0.2 4,-2.9 2,-0.2 3,-1.5 -0.279 83.9 24.8 -72.7 170.7 54.5 6.6 -13.3 226 226 A D H 3> S- 0 0 53 1,-0.3 4,-2.3 2,-0.2 5,-0.4 0.830 137.2 -59.8 51.0 44.6 54.2 10.2 -11.9 227 227 A N H <4 S- 0 0 82 -3,-0.7 -68,-2.2 1,-0.2 -1,-0.3 0.717 112.2 -37.8 55.0 41.1 54.1 11.7 -15.2 228 228 A G H << S- 0 0 8 -3,-1.5 -1,-0.2 -4,-0.6 -2,-0.2 0.715 116.9 -57.4 81.7 34.6 57.5 10.3 -16.2 229 229 A G H >X S+ 0 0 0 -4,-2.9 4,-2.7 -5,-0.1 3,-1.3 0.758 75.6 162.1 62.6 43.1 58.7 10.9 -12.7 230 230 A V T 3< S+ 0 0 0 -4,-2.3 4,-0.2 1,-0.3 -64,-0.2 0.746 83.6 41.8 -58.1 -35.9 58.2 14.6 -12.1 231 231 A H T 34 S+ 0 0 37 -5,-0.4 -1,-0.3 2,-0.1 -4,-0.1 0.436 118.7 47.1 -95.3 -2.2 58.5 14.1 -8.4 232 232 A I T X4 S+ 0 0 35 -3,-1.3 3,-1.8 -6,-0.2 -2,-0.2 0.810 112.5 41.9 -99.7 -61.8 61.4 11.6 -8.6 233 233 A N T >X S+ 0 0 4 -4,-2.7 3,-1.3 1,-0.3 4,-0.6 0.615 94.8 83.4 -66.0 -12.4 63.9 13.2 -11.1 234 234 A S H >> S+ 0 0 0 -5,-0.3 4,-2.0 1,-0.3 3,-0.5 0.786 78.2 70.6 -63.0 -27.3 63.2 16.5 -9.4 235 235 A G H <> S+ 0 0 2 -3,-1.8 4,-2.1 1,-0.2 -1,-0.3 0.801 88.6 60.0 -57.4 -29.4 65.9 15.3 -6.8 236 236 A I H <> S+ 0 0 0 -3,-1.3 4,-1.8 2,-0.2 -1,-0.2 0.886 111.7 39.0 -62.3 -47.2 68.7 15.7 -9.4 237 237 A I H S-L 253 0E 17 3,-2.7 3,-2.5 -2,-0.6 -2,-0.0 -0.966 74.1 -15.7-110.9 126.6 79.3 15.0 -4.8 251 251 A Y T 3 S- 0 0 120 -2,-0.5 -1,-0.2 1,-0.3 3,-0.1 0.801 130.2 -51.7 51.0 42.4 80.6 12.0 -6.6 252 252 A G T 3 S+ 0 0 69 1,-0.3 2,-0.6 -3,-0.1 -1,-0.3 0.447 113.7 120.5 78.3 -3.8 84.2 13.4 -6.4 253 253 A V E < -L 250 0E 45 -3,-2.5 -3,-2.7 59,-0.1 2,-0.4 -0.849 54.2-148.2 -97.7 123.6 83.1 16.7 -7.9 254 254 A S E -L 249 0E 79 -2,-0.6 2,-0.4 -5,-0.3 -5,-0.3 -0.784 13.2-171.5 -92.9 134.0 83.7 19.7 -5.6 255 255 A V E -L 248 0E 9 -7,-2.8 -7,-2.8 -2,-0.4 2,-0.5 -0.977 16.1-145.6-124.8 128.5 81.4 22.8 -5.5 256 256 A V E -L 247 0E 79 -2,-0.4 2,-0.3 -9,-0.2 -9,-0.3 -0.842 31.6-125.5 -87.2 132.7 82.2 26.1 -3.6 257 257 A G - 0 0 29 -11,-0.5 -12,-0.3 -2,-0.5 -13,-0.2 -0.690 21.9-166.0 -84.0 142.6 78.9 27.3 -2.4 258 258 A I - 0 0 26 -14,-3.8 4,-0.4 -2,-0.3 -13,-0.2 0.275 46.3-115.0-101.6 2.1 77.7 30.9 -3.2 259 259 A G > - 0 0 23 -14,-2.6 4,-1.6 -15,-0.5 -1,-0.2 0.088 28.5 -75.1 89.1 158.3 74.8 31.0 -0.7 260 260 A R H > S+ 0 0 99 2,-0.2 4,-2.2 1,-0.2 5,-0.3 0.714 116.6 61.7 -77.5 -17.3 71.1 31.2 -1.0 261 261 A D H > S+ 0 0 121 2,-0.2 4,-1.5 -3,-0.2 -1,-0.2 0.887 112.9 41.4 -71.2 -51.6 70.4 34.8 -1.8 262 262 A K H > S+ 0 0 68 -4,-0.4 4,-2.2 2,-0.2 -2,-0.2 0.820 110.9 55.9 -71.3 -37.4 72.4 34.3 -5.0 263 263 A L H X S+ 0 0 0 -4,-1.6 4,-2.4 2,-0.2 5,-0.3 0.949 109.4 48.6 -63.3 -49.7 70.9 30.8 -5.6 264 264 A G H X S+ 0 0 2 -4,-2.2 4,-2.2 1,-0.2 5,-0.3 0.957 115.0 45.3 -50.7 -44.9 67.3 32.4 -5.5 265 265 A K H X S+ 0 0 76 -4,-1.5 4,-1.2 -5,-0.3 -1,-0.2 0.971 111.0 47.4 -77.7 -39.8 68.3 35.1 -7.8 266 266 A I H X S+ 0 0 1 -4,-2.2 4,-1.6 1,-0.2 5,-0.3 0.967 118.3 47.0 -66.2 -39.8 70.1 33.1 -10.5 267 267 A F H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.848 108.6 50.7 -64.8 -39.6 67.1 30.7 -10.4 268 268 A Y H X S+ 0 0 32 -4,-2.2 4,-2.8 -5,-0.3 -1,-0.2 0.794 114.6 47.4 -67.2 -32.4 64.2 33.3 -10.6 269 269 A R H X>S+ 0 0 62 -4,-1.2 4,-2.6 -5,-0.3 5,-0.9 0.889 112.2 46.5 -78.7 -40.6 66.0 34.8 -13.6 270 270 A A H X>S+ 0 0 0 -4,-1.6 5,-2.1 3,-0.2 4,-0.8 0.925 116.5 48.2 -66.0 -48.6 66.5 31.6 -15.3 271 271 A L H <5S+ 0 0 0 -4,-2.8 -2,-0.3 -5,-0.3 -3,-0.2 0.961 121.9 32.4 -62.8 -43.0 62.9 30.9 -14.6 272 272 A T H <5S+ 0 0 37 -4,-2.8 -1,-0.2 -120,-0.1 -2,-0.2 0.692 129.4 29.1 -88.9 -20.1 61.6 34.2 -15.8 273 273 A Q H <5S+ 0 0 116 -4,-2.6 -3,-0.2 -5,-0.1 -2,-0.1 0.723 130.0 19.7-106.6 -40.9 64.0 35.1 -18.6 274 274 A Y T < - 0 0 74 -2,-0.1 3,-1.3 -122,-0.0 -123,-0.1 -0.727 40.8 -91.8-126.1 169.9 60.4 27.8 -21.9 277 277 A P T 3 S+ 0 0 62 0, 0.0 -121,-2.6 0, 0.0 -123,-0.1 0.764 123.4 40.6 -63.6 -18.7 57.6 25.2 -21.7 278 278 A T T 3 S+ 0 0 93 -123,-0.2 -117,-0.1 -125,-0.1 -118,-0.1 0.283 79.3 139.7-115.8 11.9 59.7 22.6 -23.1 279 279 A S < - 0 0 6 -3,-1.3 2,-0.2 -126,-0.1 -115,-0.2 -0.177 32.7-158.7 -54.3 144.8 63.0 23.1 -21.5 280 280 A N > - 0 0 55 -119,-0.1 4,-2.2 -116,-0.1 5,-0.2 -0.502 39.1 -84.7-118.5-179.9 65.0 20.0 -20.3 281 281 A F H > S+ 0 0 0 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.772 128.5 50.3 -63.5 -31.5 67.8 19.6 -17.8 282 282 A S H > S+ 0 0 54 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.868 111.1 50.8 -74.2 -37.1 70.6 20.5 -20.3 283 283 A Q H > S+ 0 0 96 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.938 107.7 53.4 -67.5 -37.7 68.5 23.6 -21.2 284 284 A L H X S+ 0 0 0 -4,-2.2 4,-3.5 1,-0.3 5,-0.3 0.910 107.4 51.5 -63.6 -39.9 68.2 24.5 -17.4 285 285 A R H X S+ 0 0 30 -4,-1.6 4,-2.3 2,-0.2 -1,-0.3 0.920 110.8 46.6 -62.5 -45.1 71.9 24.3 -17.0 286 286 A A H X S+ 0 0 50 -4,-1.7 4,-2.7 2,-0.2 -2,-0.2 0.841 115.4 47.7 -58.6 -40.2 72.4 26.7 -20.0 287 287 A A H X S+ 0 0 7 -4,-2.5 4,-1.9 -5,-0.2 -2,-0.2 0.942 112.6 47.7 -68.1 -47.8 69.8 29.0 -18.6 288 288 A A H X S+ 0 0 0 -4,-3.5 4,-2.1 2,-0.2 -2,-0.2 0.904 116.0 43.7 -64.6 -44.5 71.3 28.9 -15.0 289 289 A V H X S+ 0 0 26 -4,-2.3 4,-2.7 -5,-0.3 -2,-0.2 0.936 112.6 53.5 -62.8 -47.7 74.9 29.6 -16.3 290 290 A Q H X S+ 0 0 81 -4,-2.7 4,-1.4 1,-0.2 -2,-0.2 0.901 113.1 43.1 -60.4 -42.8 73.5 32.3 -18.7 291 291 A S H X S+ 0 0 0 -4,-1.9 4,-1.5 2,-0.2 -1,-0.2 0.777 113.4 50.7 -66.1 -39.9 71.7 34.1 -15.6 292 292 A A H X>S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 5,-0.5 0.819 112.6 47.7 -62.8 -46.5 74.7 33.7 -13.3 293 293 A T H X5S+ 0 0 38 -4,-2.7 4,-1.0 3,-0.2 -2,-0.2 0.806 109.4 54.4 -65.2 -35.3 76.8 35.2 -16.1 294 294 A D H <5S+ 0 0 71 -4,-1.4 -2,-0.2 2,-0.2 -1,-0.2 0.785 120.1 30.4 -65.2 -43.5 74.3 38.0 -16.6 295 295 A L H <5S+ 0 0 71 -4,-1.5 -2,-0.2 2,-0.1 -1,-0.2 0.724 135.6 19.9 -84.6 -43.8 74.4 39.0 -13.0 296 296 A Y H <5S- 0 0 71 -4,-2.2 -3,-0.2 -5,-0.1 -2,-0.2 0.564 110.2-101.7-110.7 -23.1 77.9 38.2 -11.7 297 297 A G ><< - 0 0 28 -4,-1.0 3,-2.6 -5,-0.5 6,-0.3 0.181 31.1 -83.3 95.8 148.2 80.0 38.0 -15.0 298 298 A S T 3 S+ 0 0 80 1,-0.4 -1,-0.1 -5,-0.2 -5,-0.1 0.652 127.8 44.7 -38.5 -42.1 81.4 35.3 -17.2 299 299 A T T 3 S+ 0 0 140 -6,-0.1 -1,-0.4 -3,-0.1 -2,-0.1 0.142 88.3 124.1-104.6 21.1 84.4 34.9 -15.1 300 300 A S <> - 0 0 21 -3,-2.6 4,-1.5 1,-0.1 -3,-0.1 -0.288 69.4-124.3 -80.4 170.9 82.7 34.9 -11.7 301 301 A Q H > S+ 0 0 88 2,-0.2 4,-3.3 3,-0.2 5,-0.2 0.826 115.6 58.8 -73.1 -47.0 82.9 32.3 -8.9 302 302 A E H > S+ 0 0 28 1,-0.2 4,-1.4 2,-0.2 5,-0.3 0.922 105.6 47.9 -56.5 -41.7 79.1 32.2 -9.1 303 303 A V H > S+ 0 0 2 -6,-0.3 4,-1.2 -11,-0.2 -2,-0.2 0.965 113.8 48.0 -65.8 -44.2 79.4 31.2 -12.8 304 304 A A H X S+ 0 0 29 -4,-1.5 4,-1.9 1,-0.2 -2,-0.2 0.902 109.0 51.5 -65.1 -54.2 82.0 28.5 -11.9 305 305 A S H X S+ 0 0 0 -4,-3.3 4,-2.1 1,-0.2 -1,-0.2 0.753 107.3 52.7 -60.6 -32.6 80.0 27.0 -8.9 306 306 A V H X S+ 0 0 0 -4,-1.4 4,-2.0 -3,-0.2 5,-0.2 0.784 112.4 47.7 -70.1 -34.5 76.7 26.6 -11.1 307 307 A K H X S+ 0 0 88 -4,-1.2 4,-1.9 -5,-0.3 -2,-0.2 0.993 112.2 48.2 -68.8 -50.8 78.9 24.7 -13.6 308 308 A Q H X S+ 0 0 48 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.857 111.0 50.2 -52.6 -50.4 80.5 22.5 -11.0 309 309 A A H X S+ 0 0 0 -4,-2.1 4,-1.6 1,-0.2 5,-0.2 0.932 112.0 46.3 -63.6 -47.4 77.1 21.6 -9.4 310 310 A F H <>S+ 0 0 0 -4,-2.0 5,-2.3 1,-0.2 4,-0.3 0.878 113.7 51.1 -64.3 -33.0 75.5 20.6 -12.7 311 311 A D H ><5S+ 0 0 70 -4,-1.9 3,-0.8 -5,-0.2 -2,-0.2 0.890 106.2 53.0 -69.9 -42.2 78.7 18.6 -13.4 312 312 A A H 3<5S+ 0 0 0 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.871 112.4 45.6 -57.3 -38.4 78.5 16.9 -10.0 313 313 A V T 3<5S- 0 0 0 -4,-1.6 -96,-4.6 -97,-0.1 -95,-0.3 0.369 117.8-114.3 -82.4 -11.6 74.7 15.7 -10.8 314 314 A G T < 5 + 0 0 22 -3,-0.8 2,-1.1 -4,-0.3 -3,-0.2 0.720 62.4 152.3 76.8 20.7 75.8 14.6 -14.2 315 315 A V < 0 0 2 -5,-2.3 -1,-0.2 -6,-0.2 -2,-0.1 -0.793 360.0 360.0 -89.8 99.9 73.7 17.2 -16.1 316 316 A K 0 0 141 -2,-1.1 -1,-0.2 -3,-0.1 -5,-0.1 -0.302 360.0 360.0 75.7 360.0 75.7 17.6 -19.3 317 ! 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 0.0 318 322 A X 0 0 26 0, 0.0 -204,-0.3 0, 0.0 -206,-0.0 0.000 360.0 360.0 360.0 360.0 52.0 17.7 -4.8