==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 12-JAN-12 4D9W . COMPND 2 MOLECULE: THERMOLYSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS THERMOPROTEOLYTICUS; . AUTHOR A.BIELA,A.HEINE,G.KLEBE . 316 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12694.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 225 71.2 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 10.8 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 . 106 33.5 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 86 0, 0.0 2,-0.4 0, 0.0 23,-0.0 0.000 360.0 360.0 360.0 158.7 38.3 28.7 -0.4 2 2 A T + 0 0 135 21,-0.0 2,-0.3 23,-0.0 21,-0.0 -0.734 360.0 103.7 -83.6 129.7 40.5 25.7 0.4 3 3 A G - 0 0 42 -2,-0.4 2,-0.4 23,-0.0 22,-0.2 -0.958 68.1 -66.5-178.1-167.5 40.1 24.5 4.0 4 4 A T E -A 24 0A 89 20,-1.9 20,-2.9 -2,-0.3 2,-0.2 -0.867 49.1-107.4-110.9 142.7 38.6 21.9 6.3 5 5 A S E +A 23 0A 70 -2,-0.4 18,-0.2 18,-0.2 2,-0.2 -0.486 45.9 170.5 -70.2 133.1 34.9 21.4 6.9 6 6 A T E -A 22 0A 30 16,-2.5 16,-2.4 -2,-0.2 2,-0.5 -0.763 30.9-122.7-135.9 172.5 33.7 22.6 10.3 7 7 A V E -A 21 0A 89 -2,-0.2 14,-0.2 14,-0.2 2,-0.2 -0.966 27.6-176.2-129.3 112.5 30.4 23.2 12.1 8 8 A G E -A 20 0A 1 12,-2.9 12,-2.3 -2,-0.5 2,-0.3 -0.461 13.1-141.1 -95.9 175.7 29.7 26.5 13.6 9 9 A V E +Ab 19 61A 23 51,-1.7 53,-3.0 10,-0.3 2,-0.3 -0.991 30.7 138.0-140.6 144.4 26.7 27.7 15.7 10 10 A G E -Ab 18 62A 0 8,-2.2 8,-2.4 -2,-0.3 2,-0.4 -0.924 44.0 -90.2-164.7-170.6 24.8 30.9 15.8 11 11 A R E -A 17 0A 99 51,-2.2 60,-0.3 -2,-0.3 6,-0.2 -0.971 32.0-141.3-123.4 135.5 21.4 32.6 16.0 12 12 A G > - 0 0 4 4,-2.5 3,-2.0 -2,-0.4 56,-0.2 -0.161 40.3 -81.5 -85.6-175.6 19.2 33.6 13.1 13 13 A V T 3 S+ 0 0 30 55,-0.5 55,-0.1 1,-0.3 122,-0.1 0.808 128.5 49.1 -58.1 -36.0 17.0 36.6 12.5 14 14 A L T 3 S- 0 0 97 54,-0.1 -1,-0.3 121,-0.1 178,-0.0 0.321 122.1-101.8 -91.7 8.3 14.2 35.3 14.7 15 15 A G S < S+ 0 0 38 -3,-2.0 2,-0.3 1,-0.3 -2,-0.1 0.524 74.6 140.3 91.5 7.3 16.5 34.5 17.6 16 16 A D - 0 0 60 1,-0.0 -4,-2.5 -5,-0.0 2,-0.3 -0.654 49.1-126.7 -89.8 139.0 16.7 30.7 17.1 17 17 A Q E +A 11 0A 120 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.2 -0.620 36.6 163.5 -84.3 137.4 19.9 28.8 17.5 18 18 A K E -A 10 0A 16 -8,-2.4 -8,-2.2 -2,-0.3 2,-0.3 -0.992 35.5-116.3-149.5 154.8 21.1 26.6 14.7 19 19 A N E -A 9 0A 103 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.3 -0.678 31.1-164.3 -85.0 145.4 24.3 24.8 13.5 20 20 A I E -A 8 0A 4 -12,-2.3 -12,-2.9 -2,-0.3 2,-0.5 -0.987 22.1-116.5-134.7 146.2 25.9 25.8 10.2 21 21 A N E +A 7 0A 42 -2,-0.4 -14,-0.2 -14,-0.2 2,-0.2 -0.678 43.7 169.1 -82.3 121.5 28.4 24.3 8.0 22 22 A T E -A 6 0A 1 -16,-2.4 -16,-2.5 -2,-0.5 2,-0.4 -0.684 29.7-126.5-124.9 177.0 31.6 26.4 7.7 23 23 A T E -AC 5 29A 0 6,-1.9 6,-3.0 -18,-0.2 2,-0.5 -0.999 18.8-144.0-131.0 130.5 35.1 26.1 6.3 24 24 A Y E +AC 4 28A 95 -20,-2.9 -20,-1.9 -2,-0.4 4,-0.2 -0.861 40.2 136.1-102.9 122.8 38.3 26.7 8.4 25 25 A S S S- 0 0 52 2,-2.7 2,-2.6 -2,-0.5 -2,-0.0 -0.618 95.9 -46.9-157.5 94.4 41.4 28.3 6.9 26 26 A T S S+ 0 0 112 -2,-0.1 2,-0.2 32,-0.0 -2,-0.1 -0.362 140.2 37.0 69.6 -58.5 42.7 31.0 9.3 27 27 A Y S S- 0 0 112 -2,-2.6 -2,-2.7 -4,-0.1 2,-0.6 -0.691 93.1-110.9-104.3 167.1 39.1 32.2 9.6 28 28 A Y E -CD 24 57A 57 29,-3.0 29,-2.2 -2,-0.2 2,-0.3 -0.926 39.5-160.9 -97.8 121.1 35.9 30.3 9.7 29 29 A Y E -CD 23 56A 49 -6,-3.0 2,-2.1 -2,-0.6 -6,-1.9 -0.764 29.4-113.8-106.3 147.5 34.0 31.0 6.4 30 30 A L S S+ 0 0 0 25,-1.9 11,-2.4 11,-0.3 2,-0.4 -0.570 72.1 129.6 -76.8 79.8 30.3 30.6 5.6 31 31 A Q E -E 40 0B 9 -2,-2.1 2,-0.7 9,-0.2 9,-0.2 -0.951 44.2-159.9-141.3 109.6 31.1 27.9 3.0 32 32 A D E > +E 39 0B 2 7,-2.8 7,-1.4 -2,-0.4 3,-0.5 -0.870 11.4 179.1 -98.0 108.7 29.2 24.7 3.3 33 33 A N T 3 + 0 0 57 -2,-0.7 -1,-0.1 -11,-0.3 5,-0.1 0.423 66.8 81.3 -88.8 -0.4 31.1 21.9 1.6 34 34 A T T 3 S+ 0 0 85 1,-0.1 2,-0.5 5,-0.1 -1,-0.2 0.576 85.2 61.8 -83.6 -11.2 28.5 19.2 2.4 35 35 A R S X S- 0 0 48 -3,-0.5 3,-2.4 4,-0.1 -1,-0.1 -0.957 111.8 -63.2-125.1 114.3 26.1 20.1 -0.4 36 36 A G T 3 S- 0 0 30 -2,-0.5 3,-0.1 1,-0.3 62,-0.1 -0.177 112.0 -20.3 54.6-134.2 27.0 19.9 -4.1 37 37 A N T 3 S- 0 0 110 60,-1.2 -1,-0.3 1,-0.3 62,-0.2 0.054 119.1 -77.0 -96.4 24.8 29.9 22.2 -5.0 38 38 A G < - 0 0 2 -3,-2.4 62,-2.4 60,-0.1 2,-0.4 0.043 29.2-112.2 108.5 154.2 29.2 24.3 -2.0 39 39 A I E -Ef 32 100B 0 -7,-1.4 -7,-2.8 60,-0.2 2,-0.4 -0.998 35.5-169.6-119.3 128.6 26.9 27.0 -0.5 40 40 A F E -Ef 31 101B 21 60,-3.1 62,-2.1 -2,-0.4 2,-0.4 -0.974 7.9-162.6-127.9 128.6 28.7 30.3 -0.0 41 41 A T E - f 0 102B 0 -11,-2.4 14,-2.6 -2,-0.4 -11,-0.3 -0.944 11.8-165.4-120.6 133.5 27.4 33.3 1.9 42 42 A Y E -Gf 54 103B 25 60,-2.9 62,-2.4 -2,-0.4 2,-0.6 -0.812 20.4-126.9-120.7 152.9 28.8 36.8 1.5 43 43 A D E -Gf 53 104B 22 10,-2.9 10,-2.1 -2,-0.3 62,-0.2 -0.897 13.9-173.1-100.0 116.9 28.7 40.2 3.3 44 44 A A > - 0 0 3 60,-2.8 3,-2.2 -2,-0.6 5,-0.3 0.496 31.2-139.9 -86.3 -6.4 27.6 43.1 1.0 45 45 A K T 3 - 0 0 105 59,-0.3 61,-0.1 1,-0.3 60,-0.1 0.770 62.0 -59.1 58.5 35.7 28.4 45.5 3.9 46 46 A Y T 3 S+ 0 0 109 59,-2.4 -1,-0.3 1,-0.3 60,-0.2 0.522 117.1 105.5 69.7 10.6 25.4 47.8 3.3 47 47 A R S < S- 0 0 175 -3,-2.2 60,-2.3 58,-0.3 -1,-0.3 -0.440 73.7-124.9-111.9-177.4 26.6 48.5 -0.2 48 48 A T + 0 0 78 58,-0.2 2,-0.4 -2,-0.1 -3,-0.1 0.296 69.2 111.9-119.1 7.9 25.4 47.3 -3.7 49 49 A T S S- 0 0 98 -5,-0.3 -2,-0.1 2,-0.1 58,-0.1 -0.694 70.6-100.6 -82.2 132.2 28.5 45.8 -5.2 50 50 A L S S- 0 0 54 -2,-0.4 -2,-0.1 1,-0.2 -6,-0.0 -0.891 81.8 -2.8-120.3 147.2 28.1 42.1 -5.5 51 51 A P S S- 0 0 44 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.994 80.6-169.7 -81.9 -13.7 28.8 39.6 -4.2 52 52 A G - 0 0 33 -8,-0.1 2,-0.4 -10,-0.1 -8,-0.2 -0.743 47.7 -21.0 94.4-149.8 30.9 41.4 -1.6 53 53 A S E -G 43 0B 50 -10,-2.1 -10,-2.9 -2,-0.3 -8,-0.1 -0.840 66.2-108.4-104.7 134.5 33.2 39.4 0.7 54 54 A L E -G 42 0B 33 -2,-0.4 -12,-0.3 -12,-0.2 2,-0.2 -0.355 54.6 -97.3 -56.3 130.0 32.9 35.7 1.6 55 55 A W - 0 0 10 -14,-2.6 -25,-1.9 -25,-0.3 2,-0.4 -0.358 48.3-171.3 -66.5 121.0 31.7 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 -0.920 7.9-179.6-116.2 137.1 34.7 35.4 7.6 57 57 A D E -D 28 0A 23 -29,-2.2 -29,-3.0 -2,-0.4 3,-0.1 -0.998 24.1-143.2-139.4 136.3 34.4 34.9 11.4 58 58 A A S S+ 0 0 76 -2,-0.4 -1,-0.1 -31,-0.2 -29,-0.1 0.819 94.9 23.4 -69.2 -32.6 37.2 34.5 13.9 59 59 A D S S- 0 0 95 2,-0.3 -1,-0.2 -31,-0.1 3,-0.1 0.419 95.7-114.9-124.0 1.4 35.7 31.9 16.3 60 60 A N S S+ 0 0 12 1,-0.2 -51,-1.7 -32,-0.2 2,-0.4 0.668 80.4 117.6 70.9 16.9 32.9 29.9 14.4 61 61 A Q E -b 9 0A 78 -53,-0.2 -2,-0.3 -51,-0.0 -1,-0.2 -0.973 43.8-171.8-117.2 129.5 30.3 31.4 16.7 62 62 A F E +b 10 0A 0 -53,-3.0 -51,-2.2 -2,-0.4 9,-0.1 -0.476 40.5 122.7-126.5 61.2 27.6 33.5 15.0 63 63 A F + 0 0 78 -53,-0.3 -1,-0.1 -2,-0.2 2,-0.1 0.383 39.8 110.2-104.2 0.7 25.6 35.1 17.8 64 64 A A S >> S- 0 0 50 -3,-0.2 3,-1.0 1,-0.1 4,-0.9 -0.464 77.1-119.7 -75.7 150.1 26.0 38.8 16.9 65 65 A S G >4 S+ 0 0 117 1,-0.3 3,-0.9 2,-0.2 -1,-0.1 0.902 116.0 55.3 -52.6 -42.5 23.1 40.8 15.6 66 66 A Y G 34 S+ 0 0 69 1,-0.2 4,-0.4 2,-0.1 -1,-0.3 0.766 104.6 55.4 -64.3 -25.7 25.0 41.5 12.4 67 67 A D G X> S+ 0 0 18 -3,-1.0 4,-2.3 1,-0.2 3,-0.7 0.730 85.3 84.6 -76.5 -26.0 25.6 37.8 11.9 68 68 A A H S+ 0 0 4 0, 0.0 4,-2.2 0, 0.0 -1,-0.3 0.860 113.6 49.8 -64.3 -30.6 20.9 37.4 8.4 70 70 A A H <> S+ 0 0 0 -3,-0.7 4,-2.4 -4,-0.4 5,-0.3 0.903 107.0 54.1 -70.9 -44.2 24.0 35.5 7.2 71 71 A V H X S+ 0 0 0 -4,-2.3 4,-2.8 -60,-0.3 5,-0.2 0.941 114.1 42.0 -52.3 -49.8 23.2 32.5 9.5 72 72 A D H X S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 5,-0.4 0.883 111.8 52.1 -72.5 -39.9 19.7 32.2 8.0 73 73 A A H X S+ 0 0 0 -4,-2.2 4,-1.5 -5,-0.2 -1,-0.2 0.931 116.3 43.1 -58.4 -43.1 20.6 32.8 4.3 74 74 A H H X S+ 0 0 3 -4,-2.4 4,-1.5 2,-0.2 -2,-0.2 0.945 118.0 42.9 -67.4 -51.0 23.3 30.1 4.7 75 75 A Y H X S+ 0 0 94 -4,-2.8 4,-2.0 -5,-0.3 -2,-0.2 0.920 115.1 47.8 -64.6 -46.6 21.1 27.6 6.6 76 76 A Y H X S+ 0 0 29 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.822 106.3 57.9 -71.8 -28.1 17.9 28.1 4.6 77 77 A A H X S+ 0 0 0 -4,-1.5 4,-2.5 -5,-0.4 -1,-0.2 0.909 107.1 50.5 -60.5 -40.1 19.9 27.7 1.3 78 78 A G H X S+ 0 0 0 -4,-1.5 4,-2.4 2,-0.2 -2,-0.2 0.911 109.3 49.2 -61.7 -44.4 20.9 24.3 2.7 79 79 A V H X S+ 0 0 15 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.920 112.1 48.6 -62.6 -41.0 17.3 23.4 3.5 80 80 A T H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.918 109.8 51.2 -67.6 -41.2 16.3 24.4 0.0 81 81 A Y H X S+ 0 0 12 -4,-2.5 4,-2.4 1,-0.2 11,-0.3 0.923 110.8 50.3 -56.2 -45.6 19.1 22.4 -1.6 82 82 A D H X S+ 0 0 38 -4,-2.4 4,-3.0 1,-0.2 5,-0.4 0.886 107.9 52.7 -62.9 -42.6 18.0 19.4 0.5 83 83 A Y H X>S+ 0 0 10 -4,-2.3 4,-2.5 1,-0.2 5,-0.7 0.961 112.1 44.2 -57.5 -52.9 14.4 19.8 -0.6 84 84 A Y H X5S+ 0 0 4 -4,-2.4 6,-2.3 3,-0.2 4,-1.2 0.907 119.5 42.3 -62.4 -38.9 15.3 19.8 -4.3 85 85 A K H X5S+ 0 0 90 -4,-2.4 4,-1.1 4,-0.3 -2,-0.2 0.955 121.8 37.1 -72.1 -50.5 17.7 16.9 -4.0 86 86 A N H <5S+ 0 0 99 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.842 128.0 32.1 -74.4 -35.3 15.7 14.7 -1.7 87 87 A V H <5S+ 0 0 48 -4,-2.5 -3,-0.2 -5,-0.4 -2,-0.2 0.855 135.8 19.6 -92.7 -38.4 12.2 15.3 -3.1 88 88 A H H < - 0 0 54 -2,-0.5 6,-2.4 4,-0.3 4,-0.5 -0.793 63.1 -45.9 -96.3 101.4 21.2 18.7 -7.7 92 92 A S T >4 S- 0 0 5 -2,-0.9 3,-0.7 -11,-0.3 7,-0.1 -0.022 92.6 -54.0 58.6-172.5 21.3 22.4 -7.1 93 93 A Y T 34 S+ 0 0 17 5,-0.3 58,-0.2 1,-0.2 -1,-0.2 0.807 138.7 42.9 -71.5 -26.7 19.6 25.0 -9.3 94 94 A D T 34 S- 0 0 48 -3,-0.2 -1,-0.2 4,-0.1 -2,-0.2 0.425 108.5-116.9 -96.3 -1.4 21.2 23.9 -12.5 95 95 A G S << S+ 0 0 35 -3,-0.7 -4,-0.3 -4,-0.5 -3,-0.2 0.459 102.7 79.4 77.8 1.7 20.8 20.1 -11.9 96 96 A N S S- 0 0 124 -5,-0.2 -4,-0.2 -6,-0.1 -3,-0.1 -0.079 113.7 -94.9-132.4 32.3 24.6 19.7 -11.9 97 97 A N - 0 0 35 -6,-2.4 -60,-1.2 1,-0.2 -5,-0.2 0.786 53.5-172.8 62.7 36.0 25.5 20.9 -8.4 98 98 A A - 0 0 20 -7,-0.5 -5,-0.3 1,-0.1 -1,-0.2 -0.243 35.9 -96.4 -54.1 141.5 26.3 24.6 -9.2 99 99 A A - 0 0 18 -62,-0.2 2,-0.6 -63,-0.1 -60,-0.2 -0.374 36.6-135.2 -56.8 137.5 27.7 26.5 -6.2 100 100 A I E -f 39 0B 1 -62,-2.4 -60,-3.1 -3,-0.1 2,-0.4 -0.889 24.0-171.1-103.5 120.0 24.9 28.5 -4.5 101 101 A R E +f 40 0B 89 -2,-0.6 19,-2.7 17,-0.3 2,-0.3 -0.931 7.8 176.1-117.5 137.5 25.9 32.0 -3.6 102 102 A S E -fh 41 120B 0 -62,-2.1 -60,-2.9 -2,-0.4 2,-0.4 -0.995 13.1-157.3-135.2 142.5 24.0 34.6 -1.4 103 103 A S E -fh 42 121B 0 17,-2.1 19,-2.5 -2,-0.3 2,-0.2 -0.969 11.6-170.6-118.3 137.7 24.8 38.1 -0.2 104 104 A V E +f 43 0B 1 -62,-2.4 -60,-2.8 -2,-0.4 -59,-0.3 -0.668 63.9 45.5-117.1 173.9 23.2 39.7 2.8 105 105 A H E S+ 0 0 7 17,-0.3 -59,-2.4 -2,-0.2 2,-0.5 0.874 74.8 176.5 54.6 42.0 23.3 43.3 4.2 106 106 A Y E - 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0 0 72 -2,-0.4 -9,-0.2 -9,-0.2 53,-0.1 -0.792 28.9-129.1 -86.2 118.2 -10.9 17.7 -4.3 257 257 A G - 0 0 33 -2,-0.6 -12,-0.2 -11,-0.3 -11,-0.2 -0.385 23.5-174.0 -70.4 144.7 -7.5 18.2 -2.7 258 258 A I - 0 0 26 -14,-2.6 4,-0.4 1,-0.2 -13,-0.2 0.380 45.5-107.9-118.3 -1.5 -4.7 15.8 -3.4 259 259 A G > - 0 0 25 -14,-2.2 4,-2.0 -15,-0.4 -1,-0.2 0.034 30.0 -75.8 94.6 163.3 -2.1 17.1 -0.9 260 260 A R H > S+ 0 0 95 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.841 120.2 56.9 -66.9 -39.5 1.2 19.0 -1.0 261 261 A D H > S+ 0 0 132 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.930 111.0 43.1 -62.9 -45.9 3.5 16.2 -2.2 262 262 A K H > S+ 0 0 78 -4,-0.4 4,-2.6 2,-0.2 5,-0.2 0.894 111.1 55.6 -69.0 -36.9 1.5 15.5 -5.3 263 263 A L H X S+ 0 0 0 -4,-2.0 4,-2.6 1,-0.2 5,-0.3 0.949 110.2 47.1 -53.8 -50.5 1.1 19.3 -6.0 264 264 A G H X S+ 0 0 3 -4,-2.6 4,-2.5 1,-0.2 5,-0.2 0.893 111.5 49.5 -62.2 -41.5 4.9 19.5 -5.9 265 265 A K H X S+ 0 0 90 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.921 113.1 46.9 -62.5 -43.8 5.4 16.5 -8.2 266 266 A I H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.941 116.7 42.1 -66.1 -48.5 3.0 17.9 -10.8 267 267 A F H X S+ 0 0 0 -4,-2.6 4,-2.7 -5,-0.2 -1,-0.2 0.863 112.4 53.6 -71.0 -33.2 4.4 21.4 -10.8 268 268 A Y H X S+ 0 0 31 -4,-2.5 4,-2.0 -5,-0.3 -1,-0.2 0.935 111.8 45.9 -65.8 -42.7 8.0 20.3 -10.8 269 269 A R H X>S+ 0 0 68 -4,-2.1 4,-2.3 -5,-0.2 5,-0.5 0.919 113.0 49.7 -65.8 -42.2 7.3 18.1 -13.8 270 270 A A H X>S+ 0 0 0 -4,-2.3 5,-2.7 1,-0.2 4,-1.8 0.950 112.4 48.8 -59.2 -46.0 5.4 20.9 -15.6 271 271 A L H <5S+ 0 0 1 -4,-2.7 -118,-0.4 1,-0.2 -1,-0.2 0.862 120.8 34.2 -60.5 -40.1 8.3 23.3 -14.8 272 272 A T H <5S+ 0 0 43 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.645 130.2 25.4 -99.1 -15.8 11.0 21.0 -16.1 273 273 A Q H <5S+ 0 0 101 -4,-2.3 -3,-0.2 -5,-0.2 -2,-0.2 0.581 129.1 20.9-123.3 -15.6 9.4 19.1 -19.0 274 274 A Y T < - 0 0 61 -122,-0.1 3,-1.5 -120,-0.0 -120,-0.1 -0.758 40.9 -88.5-129.8 176.1 8.7 27.2 -22.0 277 277 A P T 3 S+ 0 0 61 0, 0.0 -121,-2.7 0, 0.0 -123,-0.1 0.804 126.1 40.0 -61.7 -27.4 9.9 30.8 -21.8 278 278 A T T 3 S+ 0 0 96 -123,-0.2 -117,-0.1 -125,-0.1 -118,-0.1 0.266 80.0 143.0-105.9 13.3 6.6 32.2 -23.3 279 279 A S < - 0 0 5 -3,-1.5 -115,-0.2 -126,-0.1 2,-0.2 -0.231 32.6-158.2 -57.9 136.2 4.0 29.9 -21.6 280 280 A N > - 0 0 62 -120,-0.1 4,-2.1 -119,-0.1 5,-0.2 -0.457 36.9 -88.5-102.8-179.0 0.8 31.6 -20.7 281 281 A F H > S+ 0 0 2 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.895 127.1 51.5 -61.6 -41.8 -1.8 30.5 -18.1 282 282 A S H > S+ 0 0 55 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.895 110.5 49.9 -61.3 -39.5 -3.8 28.3 -20.5 283 283 A Q H > S+ 0 0 95 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.842 107.3 54.3 -69.4 -32.6 -0.5 26.6 -21.5 284 284 A L H X S+ 0 0 0 -4,-2.1 4,-2.9 2,-0.2 5,-0.3 0.925 106.1 52.4 -64.2 -43.8 0.3 26.1 -17.8 285 285 A R H X S+ 0 0 34 -4,-2.3 4,-2.6 1,-0.2 5,-0.2 0.959 111.5 46.7 -55.3 -47.5 -3.0 24.4 -17.3 286 286 A A H X S+ 0 0 60 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.908 112.4 50.2 -63.3 -39.9 -2.2 22.1 -20.2 287 287 A A H X S+ 0 0 7 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.894 112.2 47.0 -64.0 -42.2 1.3 21.4 -18.8 288 288 A A H X S+ 0 0 0 -4,-2.9 4,-2.6 2,-0.2 5,-0.2 0.892 111.9 49.9 -69.6 -39.5 -0.1 20.6 -15.4 289 289 A V H X S+ 0 0 29 -4,-2.6 4,-2.1 -5,-0.3 -2,-0.2 0.936 113.6 46.3 -62.5 -43.9 -2.8 18.3 -16.8 290 290 A Q H X S+ 0 0 86 -4,-2.5 4,-2.6 -5,-0.2 -2,-0.2 0.923 112.0 51.4 -66.7 -39.2 -0.2 16.5 -18.9 291 291 A S H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.930 111.5 46.2 -63.8 -45.9 2.2 16.2 -15.9 292 292 A A H X>S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 5,-0.6 0.860 111.2 53.7 -63.4 -35.8 -0.5 14.7 -13.7 293 293 A T H X5S+ 0 0 37 -4,-2.1 4,-1.7 -5,-0.2 -2,-0.2 0.931 109.3 48.2 -63.2 -45.1 -1.4 12.3 -16.6 294 294 A D H <5S+ 0 0 62 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.904 120.2 37.5 -58.9 -44.4 2.2 11.2 -16.8 295 295 A L H <5S+ 0 0 67 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.821 135.6 12.6 -80.6 -33.9 2.5 10.6 -13.1 296 296 A Y H <5S- 0 0 68 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.2 0.538 106.6 -97.1-129.6 -13.5 -0.9 9.3 -12.1 297 297 A G ><< - 0 0 29 -4,-1.7 3,-1.9 -5,-0.6 6,-0.4 0.095 32.9 -88.4 102.8 149.4 -2.9 8.3 -15.3 298 298 A S T 3 S+ 0 0 84 1,-0.3 -1,-0.1 -5,-0.2 -5,-0.1 0.781 125.3 47.3 -64.1 -28.5 -5.5 10.0 -17.4 299 299 A T T 3 S+ 0 0 138 -6,-0.1 -1,-0.3 -3,-0.1 -2,-0.1 0.307 90.3 122.8 -93.8 9.0 -8.4 8.6 -15.3 300 300 A S S <> S- 0 0 15 -3,-1.9 4,-2.0 1,-0.1 5,-0.1 -0.265 72.0-124.5 -74.7 157.1 -6.9 9.6 -12.0 301 301 A Q H > S+ 0 0 90 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.851 111.9 62.1 -57.7 -36.9 -8.3 11.8 -9.3 302 302 A E H > S+ 0 0 25 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.932 105.0 44.0 -61.3 -47.2 -5.1 13.9 -9.6 303 303 A V H > S+ 0 0 3 -6,-0.4 4,-2.1 -11,-0.2 -1,-0.2 0.929 113.6 51.8 -61.3 -45.3 -5.8 14.8 -13.2 304 304 A A H X S+ 0 0 38 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.903 109.9 49.3 -59.0 -41.1 -9.5 15.5 -12.4 305 305 A S H X S+ 0 0 0 -4,-2.8 4,-2.2 2,-0.2 -1,-0.2 0.856 106.6 54.4 -69.5 -37.2 -8.4 17.8 -9.5 306 306 A V H X S+ 0 0 0 -4,-1.9 4,-2.2 -5,-0.2 5,-0.2 0.945 111.2 46.7 -59.6 -46.0 -5.9 19.8 -11.6 307 307 A K H X S+ 0 0 93 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.917 111.8 50.5 -62.3 -44.3 -8.7 20.5 -14.1 308 308 A Q H X S+ 0 0 53 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.885 110.0 51.1 -58.2 -42.4 -11.2 21.5 -11.3 309 309 A A H X S+ 0 0 0 -4,-2.2 4,-1.4 2,-0.2 -2,-0.2 0.920 111.7 44.4 -67.4 -46.0 -8.6 23.9 -9.8 310 310 A F H <>S+ 0 0 0 -4,-2.2 5,-2.5 1,-0.2 4,-0.3 0.906 113.1 52.9 -66.2 -37.8 -7.9 25.7 -13.1 311 311 A D H ><5S+ 0 0 55 -4,-2.6 3,-1.7 -5,-0.2 -2,-0.2 0.928 105.5 55.6 -56.7 -44.6 -11.7 25.8 -13.8 312 312 A A H 3<5S+ 0 0 1 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.838 110.4 43.7 -61.7 -35.0 -12.2 27.3 -10.4 313 313 A V T 3<5S- 0 0 0 -4,-1.4 -96,-2.8 -3,-0.2 -1,-0.3 0.309 119.0-108.9 -94.5 10.8 -9.7 30.2 -11.2 314 314 A G T < 5S+ 0 0 24 -3,-1.7 2,-0.6 -4,-0.3 -3,-0.2 0.699 72.1 136.3 77.6 21.8 -11.2 30.7 -14.7 315 315 A V < 0 0 5 -5,-2.5 -1,-0.2 -6,-0.1 -2,-0.1 -0.908 360.0 360.0-107.6 116.9 -8.2 29.4 -16.7 316 316 A K 0 0 166 -2,-0.6 -1,-0.1 -5,-0.1 -5,-0.1 0.531 360.0 360.0-106.8 360.0 -9.2 27.1 -19.6