==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 21-MAY-03 1PE7 . COMPND 2 MOLECULE: THERMOLYSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS THERMOPROTEOLYTICUS; . AUTHOR D.JUERS,N.YUSUFF,P.A.BARTLETT,B.W.MATTHEWS . 317 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12537.0 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 . 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 . 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 . 105 33.1 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 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 88 0, 0.0 2,-0.5 0, 0.0 23,-0.0 0.000 360.0 360.0 360.0 143.6 8.2 52.0 -0.1 2 2 A T + 0 0 129 23,-0.1 2,-0.3 21,-0.1 21,-0.0 -0.922 360.0 96.8-109.4 128.0 6.3 55.2 0.6 3 3 A G - 0 0 39 -2,-0.5 2,-0.5 22,-0.0 22,-0.2 -0.916 70.0 -42.4-176.1-156.4 6.4 56.5 4.2 4 4 A T E -A 24 0A 91 20,-2.3 20,-4.0 -2,-0.3 2,-0.2 -0.837 49.7-123.0-102.3 131.6 7.9 58.9 6.7 5 5 A S E +A 23 0A 69 -2,-0.5 2,-0.2 18,-0.2 18,-0.2 -0.481 45.7 154.2 -69.0 137.9 11.7 59.5 6.8 6 6 A T E -A 22 0A 52 16,-2.7 16,-2.0 -2,-0.2 2,-0.4 -0.797 38.5-111.2-149.0-174.9 13.2 58.8 10.3 7 7 A V E -A 21 0A 74 14,-0.2 14,-0.2 -2,-0.2 2,-0.2 -0.989 26.7-177.9-130.7 130.1 16.3 57.8 12.0 8 8 A G E -A 20 0A 4 12,-3.7 12,-2.2 -2,-0.4 2,-0.3 -0.526 15.8-136.2-115.7-177.5 17.0 54.5 13.8 9 9 A V E +Ab 19 61A 24 51,-1.5 53,-3.0 10,-0.3 2,-0.3 -0.985 30.4 144.6-138.1 149.6 20.0 53.3 15.7 10 10 A G E -Ab 18 62A 0 8,-2.4 8,-2.7 -2,-0.3 2,-0.4 -0.936 42.0 -93.1-162.4-168.6 21.9 50.0 15.7 11 11 A R E -A 17 0A 108 51,-2.0 6,-0.2 -2,-0.3 60,-0.2 -0.982 32.6-138.4-127.1 138.0 25.2 48.3 16.0 12 12 A G > - 0 0 4 4,-2.6 3,-2.4 -2,-0.4 56,-0.2 -0.107 38.5 -84.2 -85.7-179.2 27.5 47.3 13.2 13 13 A V T 3 S+ 0 0 30 55,-0.6 122,-0.1 1,-0.3 55,-0.1 0.807 129.5 50.9 -53.1 -40.1 29.6 44.2 12.6 14 14 A L T 3 S- 0 0 76 54,-0.1 -1,-0.3 121,-0.1 178,-0.0 0.307 122.5-105.5 -82.8 4.0 32.4 45.5 14.7 15 15 A G S < S+ 0 0 40 -3,-2.4 2,-0.3 1,-0.3 -2,-0.1 0.578 73.5 140.8 84.8 9.1 30.0 46.2 17.6 16 16 A D - 0 0 48 1,-0.0 -4,-2.6 -5,-0.0 2,-0.3 -0.664 49.6-125.7 -88.7 144.6 29.9 50.0 17.2 17 17 A Q E +A 11 0A 107 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.3 -0.666 36.7 163.5 -88.3 139.1 26.7 51.9 17.6 18 18 A K E -A 10 0A 16 -8,-2.7 -8,-2.4 -2,-0.3 2,-0.3 -0.980 35.7-117.1-148.3 162.4 25.5 54.2 14.8 19 19 A N E -A 9 0A 106 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.3 -0.758 31.4-167.2 -97.4 146.1 22.4 56.0 13.6 20 20 A I E -A 8 0A 3 -12,-2.2 -12,-3.7 -2,-0.3 2,-0.4 -0.979 24.7-111.1-132.9 152.8 21.0 55.0 10.3 21 21 A N E +A 7 0A 39 -2,-0.3 -14,-0.2 -14,-0.2 2,-0.2 -0.665 44.2 173.5 -83.8 124.1 18.3 56.7 8.0 22 22 A T E -A 6 0A 1 -16,-2.0 -16,-2.7 -2,-0.4 2,-0.4 -0.686 27.4-129.6-126.4 171.6 15.1 54.6 7.8 23 23 A T E -AC 5 29A 0 6,-1.6 6,-2.8 -18,-0.2 2,-0.6 -0.998 19.3-144.9-125.1 132.8 11.6 54.9 6.4 24 24 A Y E +AC 4 28A 95 -20,-4.0 -20,-2.3 -2,-0.4 4,-0.2 -0.804 39.4 136.9-104.7 129.5 8.6 54.3 8.4 25 25 A S S S- 0 0 40 2,-3.2 2,-2.4 -2,-0.6 -23,-0.1 -0.574 93.1 -47.0-160.1 82.5 5.4 52.7 7.0 26 26 A T S S+ 0 0 119 -2,-0.2 2,-0.2 32,-0.0 -2,-0.1 -0.371 140.5 35.0 80.7 -62.5 3.9 50.1 9.4 27 27 A Y S S- 0 0 119 -2,-2.4 -2,-3.2 -4,-0.1 2,-0.5 -0.713 94.9-111.5-108.3 172.4 7.5 48.7 9.7 28 28 A Y E -CD 24 57A 55 29,-3.6 29,-2.6 -2,-0.2 2,-0.3 -0.895 40.1-161.6-100.0 128.1 10.7 50.6 9.7 29 29 A Y E -CD 23 56A 40 -6,-2.8 2,-2.2 -2,-0.5 -6,-1.6 -0.810 29.1-113.4-111.2 156.8 12.6 49.8 6.6 30 30 A L S S+ 0 0 0 25,-2.1 11,-1.9 11,-0.3 2,-0.4 -0.566 71.8 127.8 -83.9 80.0 16.3 50.3 5.6 31 31 A Q E -E 40 0B 8 -2,-2.2 2,-0.7 9,-0.2 9,-0.2 -0.938 45.4-157.5-137.9 115.2 15.5 52.9 3.1 32 32 A D E > +E 39 0B 2 7,-2.9 7,-1.5 -2,-0.4 3,-0.5 -0.847 12.0 179.3 -99.6 109.5 17.4 56.2 3.2 33 33 A N T 3 + 0 0 60 -2,-0.7 -1,-0.1 -11,-0.3 5,-0.1 0.471 67.8 78.6 -89.0 0.1 15.5 59.0 1.5 34 34 A T T 3 S+ 0 0 86 1,-0.2 2,-0.6 5,-0.1 -1,-0.2 0.614 83.9 67.1 -84.8 -8.1 18.0 61.6 2.2 35 35 A R S X S- 0 0 46 -3,-0.5 3,-2.5 4,-0.1 -1,-0.2 -0.896 109.8 -66.8-121.3 114.4 20.5 60.6 -0.5 36 36 A G T 3 S- 0 0 29 -2,-0.6 62,-0.1 1,-0.3 3,-0.1 -0.227 113.9 -18.8 50.0-138.9 19.7 60.9 -4.2 37 37 A D T 3 S- 0 0 109 60,-1.6 -1,-0.3 1,-0.3 62,-0.2 0.282 120.3 -82.5 -81.3 14.1 16.9 58.6 -5.2 38 38 A G < - 0 0 1 -3,-2.5 62,-2.2 60,-0.1 2,-0.5 -0.065 27.9-107.9 108.9 155.5 17.6 56.5 -2.0 39 39 A I E -Ef 32 100B 0 -7,-1.5 -7,-2.9 60,-0.2 2,-0.4 -0.993 36.3-170.6-119.7 128.5 19.8 53.9 -0.5 40 40 A F E -Ef 31 101B 23 60,-2.7 62,-2.1 -2,-0.5 2,-0.4 -0.994 7.8-163.6-125.4 130.5 18.0 50.5 0.0 41 41 A T E - f 0 102B 0 -11,-1.9 14,-2.6 -2,-0.4 -11,-0.3 -0.938 11.9-166.9-120.7 136.4 19.3 47.5 1.9 42 42 A Y E -Gf 54 103B 29 60,-2.6 62,-2.1 -2,-0.4 2,-0.6 -0.828 22.3-124.4-123.3 155.6 17.8 44.0 1.5 43 43 A D E -Gf 53 104B 25 10,-2.8 10,-2.0 -2,-0.3 62,-0.2 -0.896 15.0-173.3 -97.5 119.5 17.9 40.7 3.2 44 44 A A > - 0 0 4 60,-3.1 3,-2.7 -2,-0.6 5,-0.3 0.481 31.1-142.1 -89.3 -1.2 19.0 37.8 0.9 45 45 A K T 3 - 0 0 110 59,-0.3 61,-0.2 1,-0.3 60,-0.1 0.785 63.2 -57.9 46.1 41.8 18.2 35.3 3.8 46 46 A Y T 3 S+ 0 0 105 59,-2.8 -1,-0.3 1,-0.3 60,-0.2 0.536 114.8 113.0 67.9 13.6 21.1 33.1 3.0 47 47 A R < - 0 0 175 -3,-2.7 60,-2.8 58,-0.3 -1,-0.3 -0.475 68.9-131.1-103.7 178.6 19.9 32.5 -0.5 48 48 A T S S+ 0 0 82 58,-0.2 2,-0.4 -2,-0.2 -3,-0.1 0.334 72.0 108.5-113.3 3.0 21.4 33.5 -3.8 49 49 A T S S- 0 0 94 -5,-0.3 -2,-0.2 2,-0.0 58,-0.1 -0.655 72.5 -98.0 -83.3 134.1 18.3 35.0 -5.3 50 50 A L S S- 0 0 56 -2,-0.4 -2,-0.1 1,-0.2 -6,-0.0 -0.852 80.0 -3.0-120.7 151.9 18.5 38.7 -5.5 51 51 A P S S- 0 0 46 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.983 77.0-165.9 -84.5 -14.1 17.8 41.2 -4.2 52 52 A G - 0 0 35 -8,-0.1 2,-0.4 -10,-0.1 -8,-0.2 -0.801 46.8 -28.6 102.6-149.1 15.8 39.5 -1.6 53 53 A S E -G 43 0B 53 -10,-2.0 -10,-2.8 -2,-0.3 -8,-0.1 -0.863 65.3-103.9-114.2 139.3 13.4 41.5 0.6 54 54 A L E -G 42 0B 34 -2,-0.4 2,-0.3 -12,-0.2 -12,-0.3 -0.313 53.7 -97.9 -56.5 134.6 13.7 45.2 1.6 55 55 A W - 0 0 12 -14,-2.6 -25,-2.1 -25,-0.3 2,-0.4 -0.391 48.0-174.1 -64.8 120.9 14.9 45.1 5.2 56 56 A A E -D 29 0A 43 -2,-0.3 2,-0.3 -27,-0.2 -27,-0.2 -0.912 5.6-178.1-118.6 140.0 11.9 45.6 7.6 57 57 A D E -D 28 0A 22 -29,-2.6 -29,-3.6 -2,-0.4 5,-0.1 -0.988 24.8-138.8-139.8 144.9 12.2 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 0.790 94.2 19.5 -75.0 -30.1 9.5 46.4 13.9 59 59 A D S S- 0 0 92 2,-0.3 -1,-0.2 -31,-0.1 3,-0.1 0.349 95.3-110.8-129.6 12.7 10.9 49.0 16.1 60 60 A N S S+ 0 0 18 1,-0.2 -51,-1.5 -32,-0.2 2,-0.5 0.692 82.5 113.8 71.3 15.0 13.6 51.0 14.5 61 61 A Q E -b 9 0A 98 -53,-0.2 2,-0.4 -51,-0.0 -2,-0.3 -0.986 45.8-168.3-122.8 128.9 16.4 49.5 16.7 62 62 A F E +b 10 0A 0 -53,-3.0 -51,-2.0 -2,-0.5 9,-0.1 -0.562 41.6 123.0-120.3 67.1 18.9 47.2 15.0 63 63 A F + 0 0 81 -2,-0.4 -1,-0.1 -53,-0.2 2,-0.1 0.413 38.9 108.9-104.6 -2.4 20.9 45.5 17.8 64 64 A A S >> S- 0 0 52 -3,-0.2 4,-0.9 1,-0.1 3,-0.9 -0.403 75.2-124.1 -69.7 152.0 20.3 41.9 16.9 65 65 A S G >4 S+ 0 0 108 1,-0.3 3,-0.9 2,-0.2 -1,-0.1 0.908 112.8 59.4 -70.8 -25.0 23.3 40.2 15.5 66 66 A Y G 34 S+ 0 0 72 1,-0.2 4,-0.4 2,-0.1 -1,-0.3 0.766 103.6 56.8 -65.8 -22.3 21.5 39.2 12.3 67 67 A D G X> S+ 0 0 16 -3,-0.9 4,-2.3 1,-0.2 3,-0.7 0.763 83.7 86.0 -77.2 -25.3 21.0 43.0 11.9 68 68 A A H S+ 0 0 5 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.870 112.9 51.7 -63.8 -32.3 25.7 43.5 8.3 70 70 A A H <> S+ 0 0 0 -3,-0.7 4,-2.6 -4,-0.4 5,-0.3 0.914 106.3 53.0 -71.9 -40.7 22.6 45.4 7.2 71 71 A V H X S+ 0 0 0 -4,-2.3 4,-3.2 -60,-0.2 5,-0.2 0.969 114.9 41.1 -54.7 -51.2 23.4 48.3 9.5 72 72 A D H X S+ 0 0 0 -4,-2.4 4,-3.1 2,-0.2 5,-0.4 0.895 112.8 52.0 -68.3 -39.5 26.9 48.6 8.1 73 73 A A H X S+ 0 0 0 -4,-2.4 4,-1.5 -5,-0.2 -1,-0.2 0.934 115.1 44.3 -61.2 -40.8 26.0 48.0 4.5 74 74 A H H X S+ 0 0 3 -4,-2.6 4,-1.7 -5,-0.2 -2,-0.2 0.957 118.2 41.8 -68.2 -50.1 23.3 50.7 4.8 75 75 A Y H X S+ 0 0 92 -4,-3.2 4,-2.4 -5,-0.3 -2,-0.2 0.935 114.5 49.6 -65.6 -44.5 25.4 53.2 6.7 76 76 A Y H X S+ 0 0 4 -4,-3.1 4,-2.3 1,-0.3 -1,-0.2 0.822 107.1 54.7 -69.5 -28.6 28.6 52.7 4.7 77 77 A A H X S+ 0 0 0 -4,-1.5 4,-2.3 -5,-0.4 -1,-0.3 0.925 107.4 51.3 -67.2 -38.7 26.9 53.1 1.4 78 78 A G H X S+ 0 0 0 -4,-1.7 4,-2.6 1,-0.2 -2,-0.2 0.957 110.9 48.4 -62.0 -45.5 25.5 56.5 2.7 79 79 A V H X S+ 0 0 15 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.913 111.4 49.3 -60.3 -42.0 29.1 57.6 3.6 80 80 A T H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.906 109.1 52.0 -63.5 -41.6 30.4 56.6 0.3 81 81 A Y H X S+ 0 0 13 -4,-2.3 4,-2.0 1,-0.2 5,-0.3 0.922 110.3 51.2 -58.9 -44.3 27.6 58.5 -1.5 82 82 A D H X S+ 0 0 38 -4,-2.6 4,-3.0 -5,-0.2 5,-0.4 0.916 105.5 54.0 -61.1 -41.5 28.6 61.4 0.5 83 83 A Y H X>S+ 0 0 11 -4,-2.3 4,-2.8 1,-0.2 5,-0.8 0.960 110.5 46.1 -58.3 -50.0 32.2 61.2 -0.4 84 84 A Y H X5S+ 0 0 5 -4,-2.2 6,-2.8 3,-0.2 4,-1.1 0.886 117.9 42.3 -62.8 -36.5 31.5 61.2 -4.1 85 85 A K H X5S+ 0 0 90 -4,-2.0 4,-1.1 4,-0.3 -1,-0.2 0.955 121.2 39.0 -74.9 -48.3 29.1 64.1 -3.9 86 86 A N H <5S+ 0 0 86 -4,-3.0 -2,-0.2 -5,-0.3 -3,-0.2 0.859 127.9 31.3 -71.9 -38.7 31.0 66.2 -1.5 87 87 A V H <5S+ 0 0 52 -4,-2.8 -3,-0.2 -5,-0.4 -1,-0.2 0.836 135.7 19.3 -89.8 -39.3 34.4 65.6 -2.9 88 88 A H H < - 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0 0 33 16,-1.7 18,-0.5 -3,-0.2 4,-0.4 -0.658 50.9 -31.5 -81.9 126.7 23.9 36.4 0.6 107 107 A S S S- 0 0 30 -60,-2.8 2,-0.4 -2,-0.4 -60,-0.1 -0.046 91.5 -64.2 62.0-162.9 24.4 32.7 0.5 108 108 A Q S S- 0 0 154 1,-0.1 3,-0.1 15,-0.1 -1,-0.1 -0.986 108.2 -10.9-129.5 126.5 26.0 30.7 3.4 109 109 A G S S+ 0 0 42 -2,-0.4 2,-0.6 16,-0.3 17,-0.2 0.808 84.9 169.7 58.6 31.8 29.5 31.1 4.4 110 110 A Y - 0 0 67 -4,-0.4 15,-1.9 15,-0.3 2,-0.9 -0.635 23.3-160.3 -84.4 122.3 30.3 33.2 1.4 111 111 A N + 0 0 56 -2,-0.6 2,-0.3 13,-0.1 -1,-0.1 -0.346 58.9 59.6 -98.4 58.7 33.6 34.9 1.6 112 112 A N - 0 0 57 -2,-0.9 11,-2.3 206,-0.1 2,-0.3 -0.975 56.5-146.6-165.5 174.9 33.3 37.7 -0.9 113 113 A A E +I 122 0B 0 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.959 26.0 165.5-145.8 151.6 31.4 40.9 -1.9 114 114 A F E -I 121 0B 50 7,-2.1 7,-2.3 -2,-0.3 2,-0.5 -0.996 39.4-115.7-164.9 166.7 30.7 42.1 -5.4 115 115 A W E -I 120 0B 27 -2,-0.3 5,-0.2 5,-0.2 -13,-0.0 -0.924 24.7-160.9-106.4 121.6 28.7 44.5 -7.7 116 116 A N - 0 0 67 3,-2.7 4,-0.1 -2,-0.5 -1,-0.1 0.262 55.0 -86.4 -95.5 18.6 26.6 42.4 -10.0 117 117 A G S S+ 0 0 41 2,-0.2 3,-0.1 0, 0.0 -2,-0.0 0.010 125.8 36.4 99.4 -19.1 26.0 45.0 -12.7 118 118 A S S S+ 0 0 85 1,-0.4 2,-0.3 -17,-0.0 -17,-0.3 0.551 120.8 1.3-136.7 -19.0 22.9 46.4 -10.8 119 119 A E S S- 0 0 13 -19,-0.1 -3,-2.7 -16,-0.0 -1,-0.4 -0.985 71.0 -93.5-163.1 167.2 23.6 46.3 -7.0 120 120 A M E -hI 102 115B 0 -19,-2.6 -17,-2.0 -2,-0.3 2,-0.3 -0.644 32.5-166.3 -89.6 151.8 26.0 45.4 -4.3 121 121 A V E -hI 103 114B 0 -7,-2.3 -7,-2.1 -2,-0.3 2,-0.4 -0.997 1.1-166.0-137.9 137.9 26.0 41.9 -2.6 122 122 A Y E - 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0 0 72 -2,-0.4 -9,-0.3 -9,-0.2 53,-0.1 -0.790 29.2-121.0 -92.7 127.5 57.8 63.3 -3.7 257 257 A G - 0 0 31 -2,-0.6 -12,-0.2 -11,-0.5 -11,-0.2 -0.333 24.3-173.5 -60.8 142.6 54.4 62.8 -2.2 258 258 A I - 0 0 25 -14,-3.1 4,-0.4 1,-0.2 -13,-0.2 0.413 47.1-110.9-116.6 -0.5 51.5 65.3 -3.2 259 259 A G > - 0 0 26 -14,-1.9 4,-1.5 -15,-0.5 -1,-0.2 0.002 26.6 -76.8 96.0 162.2 48.9 64.0 -0.7 260 260 A R H > S+ 0 0 101 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.802 118.5 58.3 -65.3 -42.6 45.6 62.1 -0.9 261 261 A D H > S+ 0 0 124 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.911 110.7 41.6 -60.0 -44.5 43.4 64.8 -1.9 262 262 A K H > S+ 0 0 71 -4,-0.4 4,-3.3 2,-0.2 5,-0.2 0.846 110.4 57.8 -70.6 -35.4 45.2 65.5 -5.1 263 263 A L H X S+ 0 0 0 -4,-1.5 4,-2.9 1,-0.2 5,-0.3 0.970 109.8 46.2 -54.5 -50.1 45.7 61.8 -5.7 264 264 A G H X S+ 0 0 3 -4,-2.7 4,-2.5 1,-0.2 5,-0.3 0.902 112.5 50.2 -61.4 -42.7 41.9 61.5 -5.7 265 265 A K H X S+ 0 0 95 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.936 113.5 45.1 -65.1 -41.5 41.4 64.5 -7.9 266 266 A I H X S+ 0 0 0 -4,-3.3 4,-1.9 1,-0.2 -2,-0.2 0.910 116.1 43.9 -69.4 -42.8 43.8 63.3 -10.5 267 267 A F H X S+ 0 0 1 -4,-2.9 4,-2.8 -5,-0.2 -2,-0.2 0.879 112.3 52.8 -70.9 -32.4 42.5 59.7 -10.6 268 268 A Y H X S+ 0 0 32 -4,-2.5 4,-2.2 -5,-0.3 5,-0.2 0.891 110.8 47.7 -68.1 -39.8 38.9 60.8 -10.6 269 269 A R H X>S+ 0 0 72 -4,-1.8 4,-2.3 -5,-0.3 5,-0.6 0.920 112.5 49.3 -66.8 -40.6 39.5 63.1 -13.6 270 270 A A H X>S+ 0 0 0 -4,-1.9 5,-2.5 1,-0.2 4,-1.8 0.952 113.2 47.9 -62.0 -44.8 41.4 60.3 -15.4 271 271 A L H <5S+ 0 0 1 -4,-2.8 -118,-0.3 1,-0.2 -1,-0.2 0.886 119.5 35.6 -61.3 -44.5 38.7 57.9 -14.8 272 272 A T H <5S+ 0 0 42 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.645 130.2 26.9 -89.4 -17.7 35.9 60.1 -15.9 273 273 A Q H <5S+ 0 0 112 -4,-2.3 -3,-0.2 -5,-0.2 -2,-0.2 0.721 128.8 20.0-115.1 -30.1 37.5 62.0 -18.7 274 274 A Y T < - 0 0 60 -2,-0.1 3,-1.8 -122,-0.1 -120,-0.1 -0.823 39.9 -93.0-132.9 165.8 38.3 53.9 -22.0 277 277 A P T 3 S+ 0 0 63 0, 0.0 -121,-3.2 0, 0.0 -123,-0.1 0.790 124.0 37.9 -50.9 -33.6 37.0 50.3 -21.8 278 278 A T T 3 S+ 0 0 93 -123,-0.2 -117,-0.1 -125,-0.1 -118,-0.1 0.225 80.7 142.4-107.3 13.4 40.3 48.9 -23.2 279 279 A S < - 0 0 3 -3,-1.8 -115,-0.2 -126,-0.1 2,-0.2 -0.258 34.3-154.4 -53.9 141.0 42.9 51.2 -21.6 280 280 A N > - 0 0 62 -120,-0.1 4,-2.5 -119,-0.1 5,-0.2 -0.472 35.0 -88.5-111.7-179.4 46.2 49.6 -20.5 281 281 A F H > S+ 0 0 2 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.914 127.7 51.1 -56.7 -42.0 48.7 50.5 -17.9 282 282 A S H > S+ 0 0 56 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.918 110.5 49.2 -65.5 -34.1 50.6 52.7 -20.3 283 283 A Q H > S+ 0 0 89 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.881 106.0 56.6 -73.7 -30.4 47.5 54.4 -21.2 284 284 A L H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 5,-0.3 0.918 105.0 53.6 -62.4 -39.8 46.6 55.0 -17.6 285 285 A R H X S+ 0 0 31 -4,-2.3 4,-2.6 -5,-0.2 5,-0.3 0.958 108.2 48.3 -59.3 -46.7 49.9 56.7 -17.2 286 286 A A H X S+ 0 0 62 -4,-1.8 4,-2.5 1,-0.2 -1,-0.2 0.905 112.5 50.7 -60.8 -35.7 49.1 59.1 -20.0 287 287 A A H X S+ 0 0 7 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.912 109.9 47.0 -70.0 -41.7 45.8 59.8 -18.5 288 288 A A H X S+ 0 0 0 -4,-2.8 4,-2.7 2,-0.2 5,-0.2 0.922 113.5 49.7 -67.1 -41.8 47.1 60.5 -15.1 289 289 A V H X S+ 0 0 29 -4,-2.6 4,-2.4 -5,-0.3 -2,-0.2 0.942 112.6 46.7 -62.7 -44.9 49.7 62.8 -16.5 290 290 A Q H X S+ 0 0 83 -4,-2.5 4,-3.2 -5,-0.3 -1,-0.2 0.924 111.8 51.4 -65.5 -36.1 47.2 64.7 -18.6 291 291 A S H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.907 111.7 45.4 -66.4 -43.8 44.8 65.0 -15.7 292 292 A A H X S+ 0 0 0 -4,-2.7 4,-3.4 2,-0.2 5,-0.3 0.873 112.5 52.7 -66.1 -35.7 47.4 66.4 -13.4 293 293 A T H X S+ 0 0 34 -4,-2.4 4,-2.5 -5,-0.2 -2,-0.2 0.959 110.0 49.1 -61.4 -50.4 48.5 68.7 -16.3 294 294 A D H < S+ 0 0 59 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.909 119.7 37.1 -52.3 -48.1 45.0 69.9 -16.7 295 295 A L H < S+ 0 0 68 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.825 134.5 13.8 -78.5 -34.6 44.6 70.5 -13.0 296 296 A Y H < S- 0 0 66 -4,-3.4 -3,-0.2 -5,-0.2 -2,-0.2 0.384 106.0 -94.1-127.2 2.2 47.9 71.9 -12.0 297 297 A G >< - 0 0 30 -4,-2.5 3,-2.2 -5,-0.3 6,-0.4 0.300 35.1 -90.8 96.0 135.8 50.0 72.8 -15.0 298 298 A S T 3 S+ 0 0 87 1,-0.3 -1,-0.1 -5,-0.1 -5,-0.1 0.690 123.5 46.5 -59.7 -18.2 52.6 71.0 -17.0 299 299 A T T 3 S+ 0 0 136 -3,-0.1 -1,-0.3 -6,-0.1 2,-0.1 0.135 88.1 124.3-111.6 22.1 55.5 72.2 -15.0 300 300 A S S <> S- 0 0 17 -3,-2.2 4,-1.9 1,-0.1 5,-0.1 -0.396 72.3-124.1 -75.1 159.1 53.9 71.5 -11.7 301 301 A Q H > S+ 0 0 96 2,-0.2 4,-3.2 1,-0.2 5,-0.2 0.859 112.0 64.2 -63.0 -34.6 55.3 69.2 -9.0 302 302 A E H > S+ 0 0 24 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.948 103.6 44.1 -57.6 -47.0 52.1 67.3 -9.3 303 303 A V H > S+ 0 0 10 -6,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.921 111.5 55.0 -64.6 -39.7 52.8 66.3 -12.8 304 304 A A H X S+ 0 0 42 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.943 108.4 47.2 -61.0 -45.5 56.3 65.5 -11.8 305 305 A S H X S+ 0 0 0 -4,-3.2 4,-2.2 1,-0.2 -1,-0.2 0.840 107.6 55.7 -66.4 -34.6 55.3 63.1 -9.0 306 306 A V H X S+ 0 0 0 -4,-2.1 4,-2.3 -5,-0.2 5,-0.3 0.939 110.6 46.2 -63.3 -43.5 52.8 61.3 -11.2 307 307 A K H X S+ 0 0 106 -4,-2.3 4,-2.7 -5,-0.2 5,-0.2 0.952 112.6 48.8 -62.0 -45.2 55.6 60.7 -13.7 308 308 A Q H X S+ 0 0 73 -4,-2.5 4,-3.0 -5,-0.2 -1,-0.2 0.917 108.7 54.3 -61.2 -40.6 58.1 59.5 -11.1 309 309 A A H X S+ 0 0 0 -4,-2.2 4,-1.4 2,-0.2 -1,-0.2 0.937 111.4 43.7 -61.5 -47.0 55.6 57.2 -9.5 310 310 A F H <>S+ 0 0 0 -4,-2.3 5,-2.5 1,-0.2 4,-0.4 0.929 112.6 52.1 -69.0 -37.6 54.9 55.4 -12.7 311 311 A D H ><5S+ 0 0 43 -4,-2.7 3,-1.4 -5,-0.3 -1,-0.2 0.927 105.2 57.6 -60.0 -40.9 58.5 55.3 -13.6 312 312 A A H 3<5S+ 0 0 1 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.845 109.1 43.8 -60.5 -28.7 59.1 53.7 -10.2 313 313 A V T 3<5S- 0 0 0 -4,-1.4 -96,-3.4 -3,-0.3 -1,-0.3 0.332 119.9-109.2 -97.6 9.7 56.7 50.8 -10.9 314 314 A G T < 5 + 0 0 16 -3,-1.4 2,-0.7 -4,-0.4 -3,-0.2 0.726 69.3 143.3 79.7 16.9 58.1 50.4 -14.3 315 315 A V < 0 0 3 -5,-2.5 -1,-0.2 -6,-0.2 -2,-0.1 -0.843 360.0 360.0-102.0 114.3 55.2 51.7 -16.3 316 316 A K 0 0 149 -2,-0.7 -1,-0.2 -3,-0.1 -5,-0.1 0.734 360.0 360.0-100.3 360.0 56.2 53.6 -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 0.0 318 323 A L 0 0 20 0, 0.0 -204,-0.1 0, 0.0 -206,-0.1 0.000 360.0 360.0 360.0 360.0 36.6 42.3 -3.8