==== 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 27-OCT-98 1TLI . COMPND 2 MOLECULE: THERMOLYSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS THERMOPROTEOLYTICUS; . AUTHOR A.C.ENGLISH,S.H.DONE,C.R.GROOM,R.E.HUBBARD . 316 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12789.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 224 70.9 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 11.1 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 . 29 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 104 32.9 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 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 79 0, 0.0 2,-0.4 0, 0.0 23,-0.0 0.000 360.0 360.0 360.0 150.9 8.3 52.1 0.0 2 2 A T + 0 0 137 21,-0.0 2,-0.3 23,-0.0 21,-0.0 -0.852 360.0 103.9 -98.6 130.6 6.3 55.4 0.6 3 3 A G - 0 0 34 -2,-0.4 2,-0.5 22,-0.0 22,-0.2 -0.957 69.5 -50.0-177.3-162.4 6.4 56.6 4.2 4 4 A T E -A 24 0A 93 20,-2.4 20,-3.5 -2,-0.3 2,-0.2 -0.811 49.7-122.9-103.0 133.8 7.9 59.0 6.7 5 5 A S E +A 23 0A 68 -2,-0.5 2,-0.3 18,-0.2 18,-0.2 -0.540 44.9 154.0 -72.3 136.6 11.6 59.5 6.9 6 6 A T E -A 22 0A 52 16,-2.6 16,-2.6 -2,-0.2 2,-0.4 -0.824 39.2-107.5-150.5-175.7 13.1 58.9 10.3 7 7 A V E -A 21 0A 75 -2,-0.3 14,-0.2 14,-0.2 2,-0.2 -0.997 28.5-176.4-125.6 127.9 16.3 57.9 12.1 8 8 A G E -A 20 0A 3 12,-3.2 12,-2.6 -2,-0.4 2,-0.3 -0.488 16.4-132.7-114.4 178.8 17.0 54.5 13.8 9 9 A V E +Ab 19 61A 33 51,-1.7 53,-3.9 10,-0.2 2,-0.3 -0.970 31.9 146.4-134.1 144.9 19.9 53.2 15.8 10 10 A G E -Ab 18 62A 0 8,-2.3 8,-2.6 -2,-0.3 2,-0.4 -0.938 41.3 -99.3-157.2-169.8 21.8 50.0 15.6 11 11 A R E -A 17 0A 114 51,-2.2 60,-0.2 -2,-0.3 6,-0.2 -0.994 31.8-140.6-128.0 131.9 25.1 48.2 16.0 12 12 A G > - 0 0 4 4,-2.3 3,-2.1 -2,-0.4 56,-0.2 -0.029 39.7 -82.2 -78.0-177.1 27.5 47.3 13.0 13 13 A V T 3 S+ 0 0 29 55,-0.5 55,-0.1 1,-0.3 122,-0.1 0.864 128.6 49.7 -58.6 -37.5 29.6 44.2 12.4 14 14 A L T 3 S- 0 0 74 54,-0.1 -1,-0.3 121,-0.1 -2,-0.0 0.362 121.5-103.1 -87.0 5.8 32.4 45.5 14.7 15 15 A G S < S+ 0 0 46 -3,-2.1 2,-0.2 1,-0.3 -2,-0.1 0.469 75.1 140.0 91.0 0.4 30.1 46.3 17.6 16 16 A D - 0 0 48 1,-0.1 -4,-2.3 -5,-0.0 2,-0.3 -0.528 49.3-127.1 -82.6 137.0 30.1 50.1 17.0 17 17 A Q E +A 11 0A 132 -6,-0.2 2,-0.3 -2,-0.2 -6,-0.2 -0.680 34.8 168.7 -93.5 139.7 26.8 51.9 17.5 18 18 A K E -A 10 0A 15 -8,-2.6 -8,-2.3 -2,-0.3 2,-0.3 -0.995 34.4-117.3-147.9 154.8 25.5 54.2 14.8 19 19 A N E -A 9 0A 108 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.2 -0.698 33.0-168.4 -86.9 140.3 22.5 56.2 13.6 20 20 A I E -A 8 0A 3 -12,-2.6 -12,-3.2 -2,-0.3 2,-0.3 -0.990 24.5-115.2-135.6 149.1 20.9 55.1 10.3 21 21 A N E +A 7 0A 39 -2,-0.4 2,-0.2 -14,-0.2 -14,-0.2 -0.577 44.9 168.3 -83.5 123.1 18.3 56.8 8.0 22 22 A T E -A 6 0A 2 -16,-2.6 -16,-2.6 -2,-0.3 2,-0.4 -0.761 29.4-125.7-131.1 174.3 15.1 54.6 7.8 23 23 A T E -AC 5 29A 0 6,-1.7 6,-2.7 -2,-0.2 2,-0.6 -0.997 17.2-143.5-129.6 134.1 11.6 54.9 6.5 24 24 A Y E +AC 4 28A 98 -20,-3.5 -20,-2.4 -2,-0.4 4,-0.2 -0.816 39.5 136.8-107.5 124.7 8.4 54.3 8.5 25 25 A S S S- 0 0 49 2,-3.0 2,-2.5 -2,-0.6 -2,-0.0 -0.649 94.0 -49.5-157.1 76.8 5.3 52.7 7.0 26 26 A T S S+ 0 0 113 -2,-0.2 2,-0.2 32,-0.0 -2,-0.1 -0.384 139.7 38.0 83.8 -62.1 3.9 50.2 9.4 27 27 A Y S S- 0 0 117 -2,-2.5 -2,-3.0 -4,-0.1 2,-0.5 -0.649 94.8-111.5-103.5 171.7 7.4 48.7 9.7 28 28 A Y E -CD 24 57A 56 29,-3.5 29,-2.9 -2,-0.2 2,-0.3 -0.929 40.0-161.8-100.8 125.9 10.7 50.6 9.8 29 29 A Y E -CD 23 56A 41 -6,-2.7 2,-2.0 -2,-0.5 -6,-1.7 -0.813 29.2-113.7-108.9 151.6 12.6 49.9 6.6 30 30 A L S S+ 0 0 0 25,-2.2 11,-2.2 11,-0.3 2,-0.4 -0.547 72.0 128.4 -82.6 85.2 16.3 50.3 5.7 31 31 A Q E -E 40 0B 9 -2,-2.0 2,-0.7 -10,-0.2 9,-0.2 -0.916 44.3-160.0-144.2 110.5 15.5 53.0 3.1 32 32 A D E > +E 39 0B 2 7,-2.9 7,-1.5 -2,-0.4 3,-0.5 -0.879 10.5 179.8 -97.2 113.8 17.3 56.3 3.3 33 33 A N T 3 + 0 0 61 -2,-0.7 -1,-0.1 -11,-0.3 -28,-0.1 0.266 67.5 79.9 -92.2 1.9 15.5 59.1 1.5 34 34 A T T 3 S+ 0 0 86 1,-0.1 2,-0.5 5,-0.1 -1,-0.2 0.548 84.1 63.4 -86.3 -11.2 18.0 61.8 2.2 35 35 A R S X S- 0 0 49 -3,-0.5 3,-2.3 4,-0.1 -1,-0.1 -0.963 111.8 -63.6-122.5 114.0 20.5 60.8 -0.5 36 36 A G T 3 S- 0 0 29 -2,-0.5 62,-0.1 1,-0.3 3,-0.1 -0.121 112.8 -18.9 59.5-137.8 19.6 61.0 -4.1 37 37 A D T 3 S- 0 0 110 60,-1.6 -1,-0.3 1,-0.2 62,-0.2 0.375 119.0 -81.6 -83.3 9.0 16.8 58.7 -5.2 38 38 A G < - 0 0 2 -3,-2.3 62,-2.2 60,-0.2 2,-0.4 -0.173 27.9-110.9 116.5 155.8 17.5 56.6 -2.0 39 39 A I E -Ef 32 100B 0 -7,-1.5 -7,-2.9 60,-0.2 2,-0.4 -0.991 36.4-170.6-124.8 124.7 19.7 53.9 -0.5 40 40 A F E -Ef 31 101B 23 60,-2.4 62,-2.0 -2,-0.4 2,-0.4 -0.993 7.3-160.1-121.9 132.1 17.8 50.6 0.0 41 41 A T E - f 0 102B 0 -11,-2.2 14,-2.7 -2,-0.4 -11,-0.3 -0.945 11.5-164.8-124.2 132.4 19.1 47.6 1.9 42 42 A Y E -Gf 54 103B 27 60,-2.9 62,-2.7 -2,-0.4 2,-0.6 -0.843 21.1-127.3-118.0 158.8 17.7 44.1 1.5 43 43 A D E -Gf 53 104B 24 10,-3.0 10,-2.1 -2,-0.3 62,-0.2 -0.904 15.9-175.5-102.1 116.3 17.8 40.8 3.2 44 44 A A > - 0 0 4 60,-2.7 3,-2.4 -2,-0.6 5,-0.3 0.466 31.1-143.0 -86.5 -5.5 18.8 37.9 0.9 45 45 A K T 3 - 0 0 108 59,-0.3 61,-0.2 1,-0.3 60,-0.1 0.797 61.9 -55.0 54.8 41.2 18.2 35.5 3.8 46 46 A Y T 3 S+ 0 0 110 59,-2.7 -1,-0.3 1,-0.3 2,-0.2 0.518 114.4 111.7 70.0 12.5 21.0 33.1 3.0 47 47 A R S < S- 0 0 175 -3,-2.4 60,-2.4 58,-0.3 -1,-0.3 -0.517 70.2-130.4-106.0 178.8 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 0.307 72.7 109.5-112.3 7.5 21.3 33.6 -3.9 49 49 A T S S- 0 0 94 -5,-0.3 -2,-0.2 2,-0.0 58,-0.1 -0.678 71.2-102.5 -86.2 133.9 18.2 35.1 -5.3 50 50 A L S S- 0 0 59 -2,-0.3 -2,-0.1 1,-0.2 71,-0.0 -0.872 80.5 -1.5-118.9 150.5 18.5 38.9 -5.6 51 51 A P S S- 0 0 47 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.970 78.1-168.6 -89.8 -7.6 17.7 41.3 -4.3 52 52 A G - 0 0 35 -8,-0.1 2,-0.4 51,-0.1 -8,-0.2 -0.790 49.1 -24.8 95.4-147.9 15.6 39.5 -1.6 53 53 A S E -G 43 0B 51 -10,-2.1 -10,-3.0 -2,-0.3 -8,-0.1 -0.825 66.0-106.3-107.3 133.7 13.3 41.6 0.7 54 54 A L E -G 42 0B 31 -2,-0.4 2,-0.3 -12,-0.2 -12,-0.3 -0.390 55.3 -98.4 -55.9 133.5 13.6 45.2 1.5 55 55 A W - 0 0 11 -14,-2.7 -25,-2.2 -25,-0.3 2,-0.4 -0.470 48.4-171.9 -69.3 126.6 14.8 45.1 5.1 56 56 A A E -D 29 0A 45 -2,-0.3 2,-0.3 -27,-0.2 -27,-0.2 -0.913 7.2-176.2-118.6 144.1 12.0 45.6 7.6 57 57 A D E -D 28 0A 22 -29,-2.9 -29,-3.5 -2,-0.4 3,-0.1 -0.992 24.1-140.9-143.5 143.1 12.1 46.0 11.3 58 58 A A S S+ 0 0 78 -2,-0.3 -1,-0.1 -31,-0.2 -29,-0.1 0.819 95.3 19.5 -75.7 -29.7 9.4 46.4 14.0 59 59 A D S S- 0 0 96 2,-0.2 -1,-0.2 -31,-0.1 3,-0.1 0.313 94.4-113.6-129.4 16.3 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,-0.5 0.649 81.9 112.5 60.9 25.4 13.7 51.0 14.5 61 61 A Q E -b 9 0A 101 -53,-0.2 2,-0.6 -51,-0.0 3,-0.3 -0.939 47.9-167.2-125.1 117.8 16.4 49.6 16.7 62 62 A F E +b 10 0A 0 -53,-3.9 -51,-2.2 -2,-0.5 9,-0.1 -0.450 41.3 125.5-116.0 73.0 18.9 47.3 15.0 63 63 A F + 0 0 56 -2,-0.6 2,-0.2 -53,-0.3 -1,-0.2 0.337 37.6 111.0-108.7 3.7 20.9 45.6 17.7 64 64 A A S >> S- 0 0 51 -3,-0.3 3,-1.4 1,-0.1 4,-1.0 -0.477 75.6-123.1 -76.3 150.3 20.4 41.9 16.8 65 65 A S G >4 S+ 0 0 117 1,-0.3 3,-1.0 2,-0.2 -1,-0.1 0.931 114.4 56.9 -62.8 -34.4 23.4 40.0 15.5 66 66 A Y G 34 S+ 0 0 70 1,-0.2 4,-0.3 2,-0.1 -1,-0.3 0.730 104.4 55.1 -64.1 -26.7 21.5 39.2 12.3 67 67 A D G X> S+ 0 0 19 -3,-1.4 4,-2.5 1,-0.2 3,-0.9 0.722 84.6 86.9 -76.0 -25.7 21.0 43.0 11.8 68 68 A A H S+ 0 0 4 0, 0.0 4,-2.1 0, 0.0 -1,-0.3 0.841 112.9 52.0 -63.4 -31.8 25.7 43.5 8.3 70 70 A A H <> S+ 0 0 0 -3,-0.9 4,-2.5 -4,-0.3 5,-0.3 0.915 106.1 54.3 -73.6 -39.1 22.6 45.4 7.2 71 71 A V H X S+ 0 0 0 -4,-2.5 4,-2.8 -60,-0.2 -1,-0.2 0.945 114.5 39.6 -56.5 -50.2 23.4 48.3 9.4 72 72 A D H X S+ 0 0 0 -4,-2.0 4,-2.9 2,-0.2 5,-0.4 0.840 113.7 52.8 -71.9 -39.9 26.9 48.7 8.0 73 73 A A H X S+ 0 0 0 -4,-2.1 4,-1.6 -5,-0.2 -1,-0.2 0.950 115.8 42.5 -56.4 -45.7 25.9 48.1 4.4 74 74 A H H X S+ 0 0 3 -4,-2.5 4,-1.4 1,-0.2 -2,-0.2 0.959 118.9 43.7 -64.2 -48.5 23.2 50.8 4.7 75 75 A Y H X S+ 0 0 91 -4,-2.8 4,-1.9 -5,-0.3 -2,-0.2 0.909 113.7 47.6 -69.0 -45.1 25.4 53.2 6.6 76 76 A Y H X S+ 0 0 4 -4,-2.9 4,-2.6 1,-0.3 5,-0.2 0.814 105.8 58.6 -76.8 -22.7 28.6 52.8 4.6 77 77 A A H X S+ 0 0 0 -4,-1.6 4,-2.2 -5,-0.4 -1,-0.3 0.936 107.2 49.6 -64.2 -39.4 26.7 53.2 1.3 78 78 A G H X S+ 0 0 2 -4,-1.4 4,-2.5 2,-0.2 -2,-0.2 0.916 110.9 48.3 -65.8 -39.6 25.6 56.6 2.7 79 79 A V H X S+ 0 0 16 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.944 112.4 48.8 -67.2 -41.1 29.2 57.6 3.6 80 80 A T H X S+ 0 0 3 -4,-2.6 4,-2.2 2,-0.2 5,-0.3 0.910 110.6 50.5 -64.4 -39.6 30.4 56.6 0.2 81 81 A Y H X S+ 0 0 16 -4,-2.2 4,-2.4 -5,-0.2 11,-0.2 0.955 112.0 48.9 -62.9 -40.1 27.6 58.6 -1.5 82 82 A D H X S+ 0 0 38 -4,-2.5 4,-3.6 1,-0.2 5,-0.4 0.918 107.9 53.8 -65.5 -44.9 28.6 61.6 0.6 83 83 A Y H X>S+ 0 0 10 -4,-2.5 4,-2.6 2,-0.2 5,-0.6 0.954 112.1 43.6 -54.3 -55.7 32.3 61.2 -0.3 84 84 A Y H X5S+ 0 0 9 -4,-2.2 6,-3.0 1,-0.2 4,-0.8 0.845 118.9 44.8 -61.6 -34.5 31.5 61.3 -4.0 85 85 A K H X5S+ 0 0 93 -4,-2.4 4,-1.1 -5,-0.3 -1,-0.2 0.959 120.3 36.2 -72.3 -54.7 29.1 64.2 -3.6 86 86 A N H <5S+ 0 0 96 -4,-3.6 -2,-0.2 -5,-0.2 -3,-0.2 0.795 128.2 33.0 -68.8 -39.9 31.1 66.4 -1.3 87 87 A V H <5S+ 0 0 51 -4,-2.6 -3,-0.2 -5,-0.4 -2,-0.1 0.885 135.3 18.6 -87.3 -41.0 34.6 65.7 -2.7 88 88 A H H < S- 0 0 7 -2,-1.0 3,-0.9 -11,-0.2 5,-0.1 -0.044 92.8 -56.8 62.3-173.5 25.5 58.7 -7.0 93 93 A Y T 3 S+ 0 0 24 5,-0.3 58,-0.2 1,-0.3 -1,-0.2 0.796 135.7 44.4 -78.0 -24.6 27.3 56.3 -9.3 94 94 A D T 3 S- 0 0 49 -3,-0.2 -1,-0.3 4,-0.1 -2,-0.1 0.365 111.0-113.5 -97.6 1.1 25.7 57.3 -12.6 95 95 A G S < S+ 0 0 33 -3,-0.9 -4,-0.3 -4,-0.3 -3,-0.2 0.478 103.3 78.2 83.6 5.1 26.0 61.0 -11.9 96 96 A N S S- 0 0 123 -5,-0.1 -4,-0.2 -6,-0.1 -3,-0.1 -0.100 113.2 -92.9-137.0 32.0 22.2 61.5 -11.7 97 97 A N - 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0 0 71 -4,-0.4 15,-2.1 15,-0.3 2,-1.2 -0.640 24.6-157.3 -87.3 117.0 30.2 33.3 1.3 111 111 A N + 0 0 53 -2,-0.6 2,-0.3 13,-0.2 -1,-0.1 -0.304 61.5 58.4 -85.1 47.4 33.6 34.9 1.5 112 112 A N - 0 0 83 -2,-1.2 11,-2.8 18,-0.0 2,-0.3 -0.985 54.3-151.7-163.0 174.9 33.1 37.8 -0.8 113 113 A A E +I 122 0B 2 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.956 25.4 171.2-149.4 148.4 31.2 41.0 -1.7 114 114 A F E -I 121 0B 47 7,-2.6 7,-2.1 -2,-0.3 2,-0.5 -0.989 38.9-122.0-162.4 157.1 30.6 42.5 -5.2 115 115 A W E -I 120 0B 22 -2,-0.3 5,-0.2 5,-0.2 -13,-0.0 -0.863 28.4-164.0 -93.9 122.6 28.8 45.0 -7.4 116 116 A N - 0 0 66 3,-2.8 4,-0.1 -2,-0.5 -1,-0.1 0.059 51.6 -86.5 -99.2 20.1 27.0 42.9 -9.9 117 117 A G S S+ 0 0 40 2,-0.2 3,-0.1 1,-0.1 -2,-0.1 0.160 126.0 36.5 102.1 -30.3 26.1 45.5 -12.6 118 118 A S S S- 0 0 87 1,-0.4 2,-0.3 -17,-0.0 -17,-0.2 0.558 121.7 -4.0-129.8 -23.9 22.9 46.5 -10.8 119 119 A E S S- 0 0 14 -19,-0.1 -3,-2.8 -5,-0.0 -1,-0.4 -0.971 70.4 -89.1-162.8 171.8 23.5 46.4 -7.0 120 120 A M E -hI 102 115B 0 -19,-2.8 -17,-1.8 -2,-0.3 2,-0.4 -0.642 34.8-167.7 -90.6 141.9 25.9 45.6 -4.2 121 121 A V E -hI 103 114B 0 -7,-2.1 -7,-2.6 -2,-0.3 2,-0.4 -0.994 1.7-168.5-132.5 135.2 25.9 42.0 -2.7 122 122 A Y E - 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0 0 30 -2,-0.6 -12,-0.2 -11,-0.5 -11,-0.2 -0.354 23.4-173.0 -69.3 146.0 54.4 62.9 -2.2 258 258 A I - 0 0 28 -14,-3.1 4,-0.4 1,-0.1 -13,-0.2 0.387 46.8-114.4-116.6 -2.1 51.6 65.4 -3.1 259 259 A G > - 0 0 24 -14,-1.9 4,-2.0 -15,-0.6 3,-0.2 0.098 27.1 -69.9 96.8 171.4 49.0 63.9 -0.7 260 260 A R H > S+ 0 0 94 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.768 120.0 55.5 -77.7 -40.2 45.6 62.2 -0.7 261 261 A D H > S+ 0 0 126 2,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.927 112.3 42.1 -62.0 -48.5 43.4 65.0 -1.9 262 262 A K H > S+ 0 0 77 -4,-0.4 4,-2.7 -3,-0.2 5,-0.2 0.854 111.8 56.9 -66.8 -38.5 45.4 65.7 -5.1 263 263 A L H X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.2 5,-0.3 0.946 109.3 45.2 -57.7 -46.6 45.7 61.9 -5.6 264 264 A G H X S+ 0 0 2 -4,-2.6 4,-2.0 2,-0.2 5,-0.3 0.928 113.1 51.1 -62.1 -42.2 41.9 61.6 -5.6 265 265 A K H X S+ 0 0 96 -4,-2.1 4,-2.2 1,-0.2 5,-0.2 0.942 112.4 44.7 -64.3 -46.3 41.5 64.7 -7.9 266 266 A I H X S+ 0 0 1 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.960 117.2 44.1 -63.0 -48.9 43.9 63.4 -10.5 267 267 A F H X S+ 0 0 0 -4,-2.4 4,-2.5 -5,-0.2 -1,-0.2 0.822 112.6 51.0 -69.9 -32.4 42.6 59.9 -10.6 268 268 A Y H X S+ 0 0 32 -4,-2.0 4,-2.7 -5,-0.3 5,-0.2 0.941 113.1 46.9 -69.2 -40.1 38.9 60.9 -10.6 269 269 A R H X>S+ 0 0 76 -4,-2.2 4,-2.4 -5,-0.3 5,-0.6 0.958 113.0 49.0 -65.7 -45.0 39.6 63.2 -13.5 270 270 A A H X>S+ 0 0 0 -4,-2.7 5,-2.4 1,-0.2 4,-1.5 0.920 114.4 46.6 -55.6 -46.8 41.6 60.5 -15.3 271 271 A L H <5S+ 0 0 1 -4,-2.5 -118,-0.3 1,-0.2 -1,-0.2 0.916 118.4 37.8 -63.6 -47.4 38.8 58.0 -14.7 272 272 A T H <5S+ 0 0 43 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.707 129.5 25.0 -86.0 -17.1 35.9 60.3 -15.8 273 273 A Q H <5S+ 0 0 125 -4,-2.4 -3,-0.2 -5,-0.2 -2,-0.2 0.611 128.8 21.1-119.2 -24.3 37.5 62.1 -18.7 274 274 A Y T < - 0 0 63 -2,-0.1 3,-1.9 -122,-0.1 -120,-0.1 -0.783 40.0 -88.8-126.4 174.6 38.3 54.0 -22.0 277 277 A P T 3 S+ 0 0 64 0, 0.0 -121,-2.6 0, 0.0 -123,-0.1 0.754 125.3 36.5 -57.3 -34.0 37.1 50.4 -21.8 278 278 A T T 3 S+ 0 0 97 -123,-0.2 -117,-0.1 -125,-0.1 -118,-0.1 0.127 80.5 142.9-113.2 27.5 40.4 49.0 -23.1 279 279 A S < - 0 0 3 -3,-1.9 -115,-0.2 -126,-0.1 2,-0.2 -0.325 33.1-158.4 -61.6 144.2 42.9 51.4 -21.6 280 280 A N > - 0 0 63 -120,-0.1 4,-2.3 -119,-0.1 5,-0.2 -0.448 35.7 -84.0-115.5-171.0 46.1 49.6 -20.5 281 281 A F H > S+ 0 0 2 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.929 126.4 51.7 -61.0 -41.4 48.7 50.7 -18.0 282 282 A S H > S+ 0 0 58 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.932 111.2 48.7 -64.5 -33.7 50.7 52.9 -20.3 283 283 A Q H > S+ 0 0 88 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.904 106.6 56.0 -79.9 -21.7 47.5 54.7 -21.2 284 284 A L H X S+ 0 0 0 -4,-2.3 4,-3.2 1,-0.2 5,-0.3 0.956 106.0 52.6 -63.7 -40.1 46.6 55.1 -17.5 285 285 A R H X S+ 0 0 36 -4,-2.4 4,-2.3 -5,-0.2 -1,-0.2 0.949 110.9 45.6 -59.7 -46.3 50.0 56.8 -17.1 286 286 A A H X S+ 0 0 61 -4,-1.8 4,-2.6 2,-0.2 -1,-0.2 0.896 112.9 51.6 -66.2 -34.9 49.3 59.2 -19.9 287 287 A A H X S+ 0 0 7 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.944 111.1 46.5 -68.2 -41.4 45.8 59.9 -18.6 288 288 A A H X S+ 0 0 0 -4,-3.2 4,-2.3 2,-0.2 5,-0.2 0.863 113.4 49.5 -70.8 -34.0 47.1 60.6 -15.1 289 289 A V H X S+ 0 0 25 -4,-2.3 4,-2.7 -5,-0.3 -2,-0.2 0.952 112.9 46.5 -68.2 -43.8 49.8 62.9 -16.5 290 290 A Q H X S+ 0 0 86 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.895 112.5 50.5 -63.4 -39.7 47.2 64.8 -18.6 291 291 A S H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.906 111.8 45.7 -64.0 -48.8 44.8 65.1 -15.7 292 292 A A H X S+ 0 0 0 -4,-2.3 4,-3.3 2,-0.2 5,-0.4 0.896 112.8 53.8 -62.3 -36.6 47.5 66.5 -13.3 293 293 A T H X S+ 0 0 35 -4,-2.7 4,-2.7 -5,-0.2 -2,-0.2 0.958 108.0 49.1 -59.6 -49.1 48.5 68.8 -16.2 294 294 A D H < S+ 0 0 61 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.863 119.8 37.3 -54.4 -44.3 44.9 70.0 -16.6 295 295 A L H < S+ 0 0 67 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.826 134.2 14.2 -80.5 -42.5 44.6 70.7 -12.9 296 296 A Y H < S- 0 0 63 -4,-3.3 -3,-0.2 -5,-0.1 -2,-0.2 0.423 107.1 -94.0-121.5 -0.9 48.1 72.0 -11.9 297 297 A G >< - 0 0 31 -4,-2.7 3,-1.8 -5,-0.4 6,-0.4 0.247 34.5 -92.2 98.7 141.7 50.1 72.9 -15.0 298 298 A S T 3 S+ 0 0 82 1,-0.3 -1,-0.1 -5,-0.1 -5,-0.1 0.663 125.5 48.6 -66.4 -13.4 52.6 71.0 -17.1 299 299 A T T 3 S+ 0 0 138 -6,-0.1 -1,-0.3 -3,-0.1 -2,-0.1 0.297 88.1 118.8-111.3 17.8 55.5 72.3 -15.0 300 300 A S S <> S- 0 0 19 -3,-1.8 4,-1.9 1,-0.1 5,-0.1 -0.231 75.0-120.0 -73.3 165.2 53.9 71.6 -11.6 301 301 A Q H > S+ 0 0 99 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.840 113.4 63.5 -67.4 -30.4 55.4 69.3 -8.9 302 302 A E H > S+ 0 0 23 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.912 104.2 42.9 -65.7 -45.6 52.1 67.3 -9.2 303 303 A V H > S+ 0 0 2 -6,-0.4 4,-2.2 -11,-0.2 -1,-0.2 0.932 113.3 55.1 -60.5 -46.4 52.8 66.4 -12.8 304 304 A A H X S+ 0 0 41 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.933 108.8 46.4 -54.4 -45.7 56.4 65.7 -11.8 305 305 A S H X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.850 107.6 56.0 -68.6 -34.6 55.4 63.3 -9.1 306 306 A V H X S+ 0 0 0 -4,-1.7 4,-1.9 -5,-0.2 -1,-0.2 0.946 110.0 47.0 -63.1 -37.2 52.9 61.4 -11.3 307 307 A K H X S+ 0 0 86 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.887 112.2 48.7 -67.8 -47.0 55.8 60.7 -13.7 308 308 A Q H X S+ 0 0 74 -4,-2.1 4,-3.2 2,-0.2 -1,-0.2 0.897 109.4 53.2 -55.6 -46.0 58.2 59.6 -11.0 309 309 A A H X S+ 0 0 0 -4,-2.2 4,-1.3 2,-0.2 -2,-0.2 0.936 112.2 43.5 -58.5 -48.9 55.6 57.2 -9.5 310 310 A F H <>S+ 0 0 0 -4,-1.9 5,-3.0 2,-0.2 3,-0.4 0.917 114.0 51.0 -65.7 -40.7 54.9 55.5 -12.8 311 311 A D H ><5S+ 0 0 46 -4,-2.7 3,-1.4 3,-0.2 -2,-0.2 0.911 106.7 55.7 -59.2 -40.9 58.7 55.4 -13.6 312 312 A A H 3<5S+ 0 0 1 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.809 111.1 43.2 -64.2 -27.0 59.3 53.8 -10.1 313 313 A V T 3<5S- 0 0 0 -4,-1.3 -96,-3.4 -3,-0.4 -1,-0.3 0.354 119.8-110.7-100.5 9.5 56.8 51.0 -10.9 314 314 A G T < 5 + 0 0 13 -3,-1.4 2,-0.7 -4,-0.3 -3,-0.2 0.781 69.1 142.5 79.5 22.0 58.2 50.5 -14.3 315 315 A V < 0 0 4 -5,-3.0 -1,-0.2 -6,-0.2 -2,-0.1 -0.867 360.0 360.0-101.4 108.5 55.2 51.9 -16.3 316 316 A K 0 0 160 -2,-0.7 -1,-0.1 -3,-0.1 -5,-0.1 0.536 360.0 360.0-102.6 360.0 56.2 53.9 -19.3