==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-JUL-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 01-AUG-11 3T87 . 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) . 12661.0 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 0.000 360.0 360.0 360.0 157.2 38.2 28.5 -0.4 2 2 A T + 0 0 135 21,-0.0 2,-0.3 23,-0.0 21,-0.0 -0.717 360.0 104.4 -83.0 128.4 40.3 25.5 0.4 3 3 A G - 0 0 42 -2,-0.4 2,-0.4 23,-0.0 22,-0.2 -0.954 67.8 -66.1-175.6-166.0 40.0 24.3 4.0 4 4 A T E -A 24 0A 89 20,-2.0 20,-2.8 -2,-0.3 2,-0.2 -0.867 49.5-107.3-110.9 143.0 38.5 21.7 6.3 5 5 A S E +A 23 0A 70 -2,-0.4 18,-0.2 18,-0.2 2,-0.2 -0.487 45.7 172.3 -71.2 133.8 34.7 21.3 6.9 6 6 A T E -A 22 0A 30 16,-2.7 16,-2.4 -2,-0.2 2,-0.5 -0.760 30.2-124.1-135.1 171.4 33.6 22.5 10.3 7 7 A V E -A 21 0A 85 -2,-0.2 14,-0.2 14,-0.2 2,-0.2 -0.966 27.5-175.3-129.8 111.9 30.3 23.1 12.2 8 8 A G E -A 20 0A 0 12,-2.9 12,-2.2 -2,-0.5 2,-0.3 -0.448 13.0-140.8 -95.3 174.8 29.5 26.5 13.7 9 9 A V E +Ab 19 61A 31 51,-1.7 53,-2.9 10,-0.3 2,-0.3 -0.991 31.6 136.6-138.5 144.2 26.6 27.6 15.8 10 10 A G E -Ab 18 62A 0 8,-2.2 8,-2.5 -2,-0.3 2,-0.4 -0.929 44.5 -89.7-165.8-169.5 24.7 30.8 15.8 11 11 A R E -A 17 0A 99 51,-2.3 60,-0.3 -2,-0.3 6,-0.2 -0.968 31.7-141.1-124.0 134.9 21.3 32.5 16.0 12 12 A G > - 0 0 4 4,-2.5 3,-2.1 -2,-0.4 56,-0.2 -0.182 40.6 -81.7 -84.1-177.6 19.0 33.5 13.1 13 13 A V T 3 S+ 0 0 30 55,-0.6 55,-0.1 1,-0.3 122,-0.1 0.812 128.9 49.4 -55.7 -36.3 16.9 36.6 12.5 14 14 A L T 3 S- 0 0 96 54,-0.1 -1,-0.3 121,-0.1 178,-0.0 0.351 122.4-102.4 -91.3 7.6 14.1 35.3 14.7 15 15 A G S < S+ 0 0 35 -3,-2.1 2,-0.3 1,-0.3 -2,-0.1 0.551 74.2 140.2 91.9 7.3 16.4 34.5 17.6 16 16 A D - 0 0 55 1,-0.0 -4,-2.5 -5,-0.0 2,-0.3 -0.656 49.0-126.0 -89.1 140.4 16.6 30.7 17.1 17 17 A Q E +A 11 0A 122 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.2 -0.639 36.9 162.7 -85.6 138.0 19.8 28.7 17.5 18 18 A K E -A 10 0A 17 -8,-2.5 -8,-2.2 -2,-0.3 2,-0.3 -0.992 36.4-114.6-149.7 156.0 21.0 26.5 14.7 19 19 A N E -A 9 0A 96 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.3 -0.692 31.2-162.8 -85.7 144.4 24.2 24.7 13.5 20 20 A I E -A 8 0A 3 -12,-2.2 -12,-2.9 -2,-0.3 2,-0.5 -0.984 21.4-118.1-131.1 143.5 25.7 25.8 10.3 21 21 A N E +A 7 0A 41 -2,-0.4 -14,-0.2 -14,-0.2 2,-0.2 -0.680 44.1 169.2 -81.1 122.0 28.3 24.1 8.0 22 22 A T E -A 6 0A 1 -16,-2.4 -16,-2.7 -2,-0.5 2,-0.4 -0.658 29.8-127.1-126.1 176.7 31.4 26.2 7.7 23 23 A T E -AC 5 29A 0 6,-1.8 6,-3.0 -18,-0.2 2,-0.5 -0.999 18.5-144.4-131.3 130.4 35.0 25.9 6.4 24 24 A Y E +AC 4 28A 95 -20,-2.8 -20,-2.0 -2,-0.4 4,-0.2 -0.851 40.2 135.7-102.9 124.2 38.1 26.6 8.4 25 25 A S S S- 0 0 51 2,-2.8 2,-2.5 -2,-0.5 -2,-0.0 -0.604 96.0 -46.2-159.3 94.6 41.2 28.1 6.9 26 26 A T S S+ 0 0 111 -2,-0.1 2,-0.2 32,-0.0 -2,-0.1 -0.375 140.4 36.3 70.3 -60.1 42.6 30.8 9.3 27 27 A Y S S- 0 0 115 -2,-2.5 -2,-2.8 -4,-0.1 2,-0.6 -0.704 92.9-111.2-102.5 166.7 39.0 32.1 9.6 28 28 A Y E -CD 24 57A 57 29,-2.9 29,-2.1 -2,-0.2 2,-0.3 -0.911 39.8-160.8 -96.7 121.3 35.7 30.2 9.7 29 29 A Y E -CD 23 56A 47 -6,-3.0 2,-2.1 -2,-0.6 -6,-1.8 -0.773 29.5-113.1-105.6 148.6 33.8 30.9 6.4 30 30 A L S S+ 0 0 0 25,-2.0 11,-2.4 11,-0.3 2,-0.4 -0.568 72.5 129.6 -77.0 79.0 30.2 30.5 5.6 31 31 A Q E -E 40 0B 9 -2,-2.1 2,-0.7 9,-0.2 9,-0.2 -0.952 44.0-160.5-140.6 108.7 31.0 27.7 3.1 32 32 A D E > +E 39 0B 2 7,-2.8 7,-1.4 -2,-0.4 3,-0.5 -0.877 11.3 178.7 -96.6 108.9 29.1 24.5 3.4 33 33 A N T 3 + 0 0 57 -2,-0.7 -1,-0.1 -11,-0.3 5,-0.1 0.422 66.5 81.7 -89.0 -0.6 31.0 21.7 1.6 34 34 A T T 3 S+ 0 0 86 1,-0.1 2,-0.5 5,-0.1 -1,-0.2 0.563 85.4 60.7 -83.8 -9.9 28.4 19.0 2.5 35 35 A R S X S- 0 0 46 -3,-0.5 3,-2.4 4,-0.1 -1,-0.1 -0.967 112.1 -61.3-126.7 115.8 26.0 19.9 -0.3 36 36 A G T 3 S- 0 0 30 -2,-0.5 3,-0.1 1,-0.3 62,-0.1 -0.164 111.9 -21.7 55.1-136.6 26.9 19.7 -4.0 37 37 A N T 3 S- 0 0 111 60,-1.1 -1,-0.3 1,-0.3 62,-0.2 0.042 118.9 -75.9 -96.7 26.8 29.8 22.0 -5.0 38 38 A G < - 0 0 2 -3,-2.4 62,-2.4 60,-0.1 2,-0.4 0.047 29.4-112.9 107.7 153.8 29.1 24.2 -2.0 39 39 A I E -Ef 32 100B 1 -7,-1.4 -7,-2.8 60,-0.2 2,-0.4 -0.998 35.7-170.0-120.3 127.0 26.8 26.8 -0.5 40 40 A F E -Ef 31 101B 21 60,-3.0 62,-2.1 -2,-0.4 2,-0.4 -0.981 7.8-162.5-126.9 129.7 28.6 30.1 -0.0 41 41 A T E - f 0 102B 0 -11,-2.4 14,-2.7 -2,-0.4 -11,-0.3 -0.951 11.5-165.2-121.4 134.7 27.3 33.2 1.9 42 42 A Y E -Gf 54 103B 26 60,-2.8 62,-2.4 -2,-0.4 2,-0.6 -0.801 20.5-126.0-121.7 152.5 28.7 36.7 1.5 43 43 A D E -Gf 53 104B 22 10,-2.8 10,-2.0 -2,-0.3 62,-0.2 -0.896 14.7-173.9 -98.9 115.9 28.6 40.0 3.2 44 44 A A > - 0 0 4 60,-2.7 3,-2.3 -2,-0.6 5,-0.3 0.508 30.8-140.9 -86.2 -6.6 27.5 42.9 1.0 45 45 A K T 3 - 0 0 109 59,-0.3 61,-0.1 1,-0.3 60,-0.1 0.775 62.0 -59.0 59.2 34.3 28.3 45.4 3.9 46 46 A Y T 3 S+ 0 0 109 59,-2.5 -1,-0.3 1,-0.3 60,-0.2 0.501 117.1 106.1 71.8 7.2 25.3 47.6 3.2 47 47 A R S < S- 0 0 177 -3,-2.3 60,-2.2 58,-0.3 -1,-0.3 -0.430 74.1-125.4-107.7-177.0 26.5 48.3 -0.3 48 48 A T + 0 0 80 58,-0.2 2,-0.4 -2,-0.2 -3,-0.1 0.296 69.1 113.6-118.7 7.3 25.3 47.1 -3.7 49 49 A T S S- 0 0 103 -5,-0.3 -2,-0.1 2,-0.1 58,-0.1 -0.689 70.1-101.9 -77.6 129.6 28.5 45.6 -5.2 50 50 A L S S- 0 0 49 -2,-0.4 -2,-0.1 1,-0.2 -6,-0.0 -0.903 82.1 -3.1-121.2 145.6 28.0 41.9 -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 80.6-167.1 -83.3 -12.4 28.8 39.4 -4.2 52 52 A G - 0 0 36 -8,-0.1 2,-0.4 -10,-0.1 -8,-0.2 -0.711 48.4 -26.0 92.8-150.0 30.8 41.2 -1.6 53 53 A S E -G 43 0B 47 -10,-2.0 -10,-2.8 -2,-0.3 -8,-0.1 -0.818 66.1-104.4-111.0 138.7 33.2 39.2 0.6 54 54 A L E -G 42 0B 30 -2,-0.4 -12,-0.3 -12,-0.2 2,-0.2 -0.346 54.9 -97.5 -56.3 131.1 32.8 35.6 1.6 55 55 A W - 0 0 10 -14,-2.7 -25,-2.0 -25,-0.3 2,-0.4 -0.377 47.8-171.5 -66.9 120.5 31.6 35.7 5.2 56 56 A A E -D 29 0A 46 -2,-0.2 2,-0.4 -27,-0.2 -27,-0.2 -0.916 7.3-179.0-115.7 138.2 34.5 35.2 7.6 57 57 A D E -D 28 0A 22 -29,-2.1 -29,-2.9 -2,-0.4 3,-0.1 -0.999 24.1-142.7-140.5 136.2 34.3 34.8 11.3 58 58 A A S S+ 0 0 75 -2,-0.4 -1,-0.1 -31,-0.2 -29,-0.1 0.826 94.6 22.5 -70.0 -33.1 37.1 34.4 13.9 59 59 A D S S- 0 0 96 2,-0.3 -1,-0.2 -31,-0.1 3,-0.1 0.401 95.7-114.0-124.3 1.8 35.5 31.8 16.2 60 60 A N S S+ 0 0 13 1,-0.2 -51,-1.7 -32,-0.2 2,-0.4 0.653 80.8 117.5 71.0 15.7 32.8 29.8 14.4 61 61 A Q E -b 9 0A 78 -53,-0.2 -2,-0.3 -51,-0.0 -1,-0.2 -0.971 43.7-171.9-116.5 129.9 30.1 31.3 16.7 62 62 A F E +b 10 0A 0 -53,-2.9 -51,-2.3 -2,-0.4 9,-0.1 -0.497 40.9 122.1-126.4 61.8 27.5 33.5 15.0 63 63 A F + 0 0 74 -53,-0.3 2,-0.2 -2,-0.2 -1,-0.1 0.344 40.1 111.1-106.1 2.7 25.4 35.1 17.7 64 64 A A S >> S- 0 0 49 -3,-0.2 3,-1.1 1,-0.1 4,-0.9 -0.497 76.7-120.8 -76.5 151.3 26.0 38.8 16.8 65 65 A S G >4 S+ 0 0 116 1,-0.3 3,-1.0 2,-0.2 -1,-0.1 0.909 116.0 55.9 -55.3 -41.1 23.0 40.7 15.5 66 66 A Y G 34 S+ 0 0 68 1,-0.2 4,-0.4 2,-0.1 -1,-0.3 0.778 104.3 55.1 -63.1 -26.6 24.9 41.4 12.4 67 67 A D G X> S+ 0 0 18 -3,-1.1 4,-2.3 1,-0.2 3,-0.7 0.738 85.4 84.5 -75.9 -25.4 25.4 37.6 11.9 68 68 A A H S+ 0 0 5 0, 0.0 4,-2.2 0, 0.0 -1,-0.3 0.854 113.8 49.8 -65.1 -31.2 20.8 37.3 8.3 70 70 A A H <> S+ 0 0 0 -3,-0.7 4,-2.4 -4,-0.4 5,-0.3 0.911 107.0 54.1 -70.7 -43.9 23.9 35.4 7.2 71 71 A V H X S+ 0 0 0 -4,-2.3 4,-2.6 -60,-0.3 5,-0.2 0.936 114.2 41.9 -52.7 -49.2 23.1 32.4 9.4 72 72 A D H X S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 5,-0.4 0.888 112.0 51.7 -73.2 -40.0 19.6 32.1 8.0 73 73 A A H X S+ 0 0 0 -4,-2.2 4,-1.5 -5,-0.2 -1,-0.2 0.929 116.4 43.1 -58.8 -42.4 20.5 32.7 4.3 74 74 A H H X S+ 0 0 3 -4,-2.4 4,-1.5 2,-0.2 -2,-0.2 0.939 118.2 42.7 -67.8 -51.9 23.2 30.0 4.7 75 75 A Y H X S+ 0 0 81 -4,-2.6 4,-1.9 -5,-0.3 -2,-0.2 0.925 115.4 47.9 -65.3 -46.3 21.0 27.5 6.7 76 76 A Y H X S+ 0 0 22 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.823 106.1 57.6 -70.6 -28.8 17.9 27.9 4.6 77 77 A A H X S+ 0 0 0 -4,-1.5 4,-2.5 -5,-0.4 -1,-0.2 0.908 107.0 51.1 -61.9 -39.6 19.8 27.6 1.3 78 78 A G H X S+ 0 0 0 -4,-1.5 4,-2.4 2,-0.2 -2,-0.2 0.917 109.2 48.7 -60.8 -44.7 20.8 24.2 2.8 79 79 A V H X S+ 0 0 14 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.918 112.0 49.4 -62.9 -40.7 17.3 23.2 3.5 80 80 A T H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 5,-0.2 0.919 109.5 51.2 -66.9 -41.6 16.2 24.2 0.0 81 81 A Y H X S+ 0 0 12 -4,-2.5 4,-2.5 1,-0.2 11,-0.3 0.929 110.6 50.2 -55.3 -46.8 19.0 22.2 -1.5 82 82 A D H X S+ 0 0 38 -4,-2.4 4,-2.9 1,-0.2 5,-0.4 0.883 108.0 52.8 -63.1 -40.3 17.9 19.2 0.5 83 83 A Y H X>S+ 0 0 10 -4,-2.2 4,-2.6 1,-0.2 5,-0.8 0.961 112.1 43.9 -59.5 -52.5 14.3 19.6 -0.6 84 84 A Y H X5S+ 0 0 5 -4,-2.4 6,-2.4 3,-0.2 4,-1.2 0.912 119.7 42.4 -63.4 -39.3 15.2 19.6 -4.3 85 85 A K H X5S+ 0 0 89 -4,-2.5 4,-1.1 4,-0.3 -2,-0.2 0.953 122.1 36.9 -69.6 -50.8 17.6 16.7 -4.0 86 86 A N H <5S+ 0 0 100 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.848 128.2 32.0 -74.8 -36.8 15.6 14.5 -1.6 87 87 A V H <5S+ 0 0 53 -4,-2.6 -3,-0.2 -5,-0.4 -2,-0.2 0.861 135.9 19.6 -91.1 -39.5 12.1 15.2 -3.1 88 88 A H H < - 0 0 54 -2,-0.5 6,-2.5 4,-0.3 4,-0.6 -0.794 63.2 -45.5 -96.7 100.4 21.1 18.5 -7.7 92 92 A S T >4 S- 0 0 6 -2,-0.9 3,-0.7 -11,-0.3 7,-0.1 -0.027 92.3 -54.9 60.8-173.6 21.2 22.3 -7.1 93 93 A Y T 34 S+ 0 0 17 5,-0.3 58,-0.2 1,-0.2 -1,-0.2 0.802 138.5 43.6 -72.1 -26.7 19.5 24.8 -9.3 94 94 A D T 34 S- 0 0 47 -3,-0.2 -1,-0.2 4,-0.1 -2,-0.2 0.439 108.6-117.1 -95.6 -1.6 21.2 23.7 -12.5 95 95 A G S << S+ 0 0 34 -3,-0.7 -4,-0.3 -4,-0.6 -3,-0.2 0.459 102.8 79.3 78.7 0.1 20.8 19.9 -11.9 96 96 A N S S- 0 0 124 -5,-0.2 -4,-0.2 -6,-0.1 -3,-0.1 -0.057 113.8 -95.0-130.7 30.5 24.6 19.6 -11.8 97 97 A N - 0 0 35 -6,-2.5 -60,-1.1 1,-0.2 -5,-0.2 0.804 53.4-172.8 62.1 36.8 25.4 20.8 -8.3 98 98 A A - 0 0 20 -7,-0.5 -5,-0.3 1,-0.1 -1,-0.2 -0.277 36.1 -96.1 -54.2 142.0 26.2 24.4 -9.2 99 99 A A - 0 0 17 -62,-0.2 2,-0.6 -63,-0.1 -60,-0.2 -0.355 36.9-135.6 -57.9 136.6 27.6 26.3 -6.2 100 100 A I E -f 39 0B 1 -62,-2.4 -60,-3.0 -3,-0.1 2,-0.4 -0.897 24.1-171.5-103.5 120.0 24.9 28.3 -4.5 101 101 A R E +f 40 0B 89 -2,-0.6 19,-2.7 17,-0.3 2,-0.3 -0.935 7.9 176.2-118.3 136.9 25.8 31.9 -3.6 102 102 A S E -fh 41 120B 0 -62,-2.1 -60,-2.8 -2,-0.4 2,-0.4 -0.995 13.2-156.9-134.8 143.4 23.9 34.4 -1.4 103 103 A S E -fh 42 121B 0 17,-2.1 19,-2.5 -2,-0.3 3,-0.2 -0.969 12.1-169.6-118.2 137.6 24.7 37.9 -0.3 104 104 A V E +f 43 0B 1 -62,-2.4 -60,-2.7 -2,-0.4 -59,-0.3 -0.676 63.9 45.1-117.0 174.0 23.2 39.5 2.8 105 105 A H E S+ 0 0 8 17,-0.3 -59,-2.5 -2,-0.2 2,-0.5 0.864 75.2 177.0 54.9 40.5 23.2 43.1 4.1 106 106 A Y E - 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0 0 72 -2,-0.4 -9,-0.2 -9,-0.2 53,-0.1 -0.777 28.5-129.0 -87.1 117.6 -10.9 17.5 -4.3 257 257 A G - 0 0 33 -2,-0.6 -12,-0.2 -11,-0.3 -11,-0.2 -0.398 23.4-174.1 -70.3 144.9 -7.5 18.0 -2.6 258 258 A I - 0 0 25 -14,-2.6 4,-0.4 1,-0.2 -13,-0.2 0.386 45.7-107.5-118.8 -2.3 -4.7 15.6 -3.4 259 259 A G > - 0 0 25 -14,-2.3 4,-2.0 -15,-0.4 -1,-0.2 0.040 30.3 -76.3 94.5 162.3 -2.1 16.9 -0.9 260 260 A R H > S+ 0 0 94 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.846 120.2 56.8 -65.9 -40.1 1.2 18.8 -1.0 261 261 A D H > S+ 0 0 133 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.924 111.0 43.5 -63.8 -44.1 3.5 16.0 -2.2 262 262 A K H > S+ 0 0 77 -4,-0.4 4,-2.6 2,-0.2 5,-0.2 0.898 110.9 55.1 -69.3 -38.4 1.4 15.3 -5.3 263 263 A L H X S+ 0 0 0 -4,-2.0 4,-2.6 1,-0.2 5,-0.3 0.950 110.5 47.7 -52.5 -50.0 1.1 19.1 -6.0 264 264 A G H X S+ 0 0 3 -4,-2.7 4,-2.4 1,-0.2 5,-0.2 0.895 111.0 49.3 -62.5 -40.9 4.8 19.3 -5.9 265 265 A K H X S+ 0 0 87 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.927 113.4 47.1 -64.0 -43.6 5.4 16.3 -8.2 266 266 A I H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.942 116.7 41.9 -64.6 -48.0 2.9 17.7 -10.7 267 267 A F H X S+ 0 0 0 -4,-2.6 4,-2.6 -5,-0.2 -1,-0.2 0.863 112.5 53.5 -72.3 -32.6 4.3 21.2 -10.7 268 268 A Y H X S+ 0 0 32 -4,-2.4 4,-1.9 -5,-0.3 -1,-0.2 0.930 111.8 46.2 -65.8 -43.3 7.9 20.1 -10.7 269 269 A R H X>S+ 0 0 65 -4,-2.1 4,-2.3 -5,-0.2 5,-0.5 0.916 112.7 49.8 -64.0 -42.5 7.3 17.9 -13.8 270 270 A A H X>S+ 0 0 0 -4,-2.3 5,-2.9 1,-0.2 4,-1.8 0.945 112.3 48.4 -59.7 -46.0 5.4 20.8 -15.5 271 271 A L H <5S+ 0 0 1 -4,-2.6 -118,-0.4 1,-0.2 -1,-0.2 0.858 121.1 34.2 -60.7 -40.8 8.2 23.2 -14.8 272 272 A T H <5S+ 0 0 43 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.644 130.1 25.5 -97.7 -17.2 10.9 20.8 -16.0 273 273 A Q H <5S+ 0 0 101 -4,-2.3 -3,-0.2 -5,-0.2 -2,-0.2 0.601 129.5 20.0-121.9 -16.2 9.3 18.9 -18.9 274 274 A Y T < - 0 0 61 -122,-0.1 3,-1.5 -120,-0.0 -123,-0.1 -0.767 40.9 -88.4-131.3 175.1 8.6 27.1 -22.0 277 277 A P T 3 S+ 0 0 62 0, 0.0 -121,-2.7 0, 0.0 -123,-0.1 0.807 125.9 40.3 -60.5 -27.4 9.8 30.7 -21.7 278 278 A T T 3 S+ 0 0 98 -123,-0.2 -117,-0.1 -125,-0.1 -118,-0.1 0.267 79.9 143.4-106.2 10.4 6.5 32.0 -23.2 279 279 A S < - 0 0 6 -3,-1.5 -115,-0.2 -126,-0.1 2,-0.1 -0.239 32.4-158.2 -53.4 134.8 4.0 29.8 -21.5 280 280 A N > - 0 0 61 -120,-0.1 4,-2.2 -119,-0.1 5,-0.2 -0.437 36.7 -89.1-102.7-179.8 0.7 31.5 -20.6 281 281 A F H > S+ 0 0 2 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.892 126.9 51.4 -61.0 -41.2 -1.9 30.4 -18.0 282 282 A S H > S+ 0 0 54 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.892 110.5 50.0 -62.0 -39.2 -3.8 28.2 -20.4 283 283 A Q H > S+ 0 0 94 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.845 107.2 54.6 -69.4 -32.6 -0.6 26.5 -21.4 284 284 A L H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.926 106.0 52.1 -63.6 -44.6 0.2 26.0 -17.7 285 285 A R H X S+ 0 0 33 -4,-2.3 4,-2.7 1,-0.2 5,-0.2 0.955 111.3 47.2 -55.0 -47.0 -3.1 24.2 -17.2 286 286 A A H X S+ 0 0 60 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.905 112.1 49.7 -63.4 -40.7 -2.3 21.9 -20.1 287 287 A A H X S+ 0 0 7 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.894 112.2 47.7 -64.0 -40.5 1.2 21.2 -18.8 288 288 A A H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 5,-0.2 0.900 112.0 49.5 -68.6 -40.5 -0.2 20.4 -15.3 289 289 A V H X S+ 0 0 28 -4,-2.7 4,-2.1 -5,-0.2 -2,-0.2 0.931 113.7 46.1 -63.7 -43.1 -2.9 18.1 -16.8 290 290 A Q H X S+ 0 0 86 -4,-2.4 4,-2.6 -5,-0.2 -2,-0.2 0.912 112.1 51.2 -67.2 -40.7 -0.3 16.3 -18.8 291 291 A S H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.936 111.6 46.7 -62.1 -45.1 2.1 16.1 -15.9 292 292 A A H X>S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 5,-0.6 0.870 111.1 53.1 -65.3 -34.5 -0.6 14.6 -13.7 293 293 A T H X5S+ 0 0 37 -4,-2.1 4,-1.7 -5,-0.2 -2,-0.2 0.929 109.4 48.6 -64.1 -45.4 -1.5 12.2 -16.5 294 294 A D H <5S+ 0 0 62 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.894 120.2 37.5 -58.7 -43.2 2.1 11.0 -16.8 295 295 A L H <5S+ 0 0 61 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.830 135.8 12.4 -81.4 -33.9 2.4 10.5 -13.0 296 296 A Y H <5S- 0 0 69 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.516 106.4 -98.6-129.7 -14.0 -1.0 9.1 -12.1 297 297 A G ><< - 0 0 29 -4,-1.7 3,-1.7 -5,-0.6 6,-0.4 0.076 33.5 -87.1 102.4 149.3 -3.0 8.2 -15.2 298 298 A S T 3 S+ 0 0 85 1,-0.3 -1,-0.1 -5,-0.1 -5,-0.1 0.778 125.4 47.2 -62.5 -28.8 -5.6 9.9 -17.3 299 299 A T T 3 S+ 0 0 139 -6,-0.1 -1,-0.3 -3,-0.1 -2,-0.1 0.319 90.1 122.3 -95.4 9.8 -8.5 8.5 -15.3 300 300 A S S <> S- 0 0 15 -3,-1.7 4,-2.0 1,-0.1 5,-0.1 -0.275 72.6-123.5 -75.1 157.7 -7.0 9.4 -11.9 301 301 A Q H > S+ 0 0 91 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.864 112.0 62.1 -57.6 -38.1 -8.3 11.7 -9.2 302 302 A E H > S+ 0 0 24 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.927 104.9 44.1 -61.0 -46.6 -5.1 13.7 -9.5 303 303 A V H > S+ 0 0 3 -6,-0.4 4,-2.2 -11,-0.2 -1,-0.2 0.937 113.5 51.8 -61.9 -45.3 -5.9 14.7 -13.1 304 304 A A H X S+ 0 0 37 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.900 110.0 49.4 -58.8 -40.1 -9.5 15.4 -12.3 305 305 A S H X S+ 0 0 0 -4,-2.8 4,-2.3 2,-0.2 -1,-0.2 0.850 106.4 54.6 -69.8 -37.0 -8.4 17.7 -9.4 306 306 A V H X S+ 0 0 0 -4,-1.9 4,-2.2 -5,-0.2 5,-0.2 0.943 111.3 46.5 -59.1 -46.6 -6.0 19.6 -11.6 307 307 A K H X S+ 0 0 90 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.917 111.7 50.5 -62.5 -43.0 -8.8 20.3 -14.0 308 308 A Q H X S+ 0 0 53 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.896 109.7 51.1 -61.0 -42.3 -11.2 21.3 -11.2 309 309 A A H X S+ 0 0 0 -4,-2.3 4,-1.4 2,-0.2 -1,-0.2 0.915 111.8 45.0 -65.2 -44.9 -8.7 23.7 -9.7 310 310 A F H <>S+ 0 0 0 -4,-2.2 5,-2.5 1,-0.2 4,-0.3 0.912 112.8 52.3 -69.0 -35.4 -8.0 25.5 -13.0 311 311 A D H ><5S+ 0 0 54 -4,-2.5 3,-1.6 -5,-0.2 -2,-0.2 0.920 105.7 56.0 -58.5 -44.5 -11.7 25.7 -13.7 312 312 A A H 3<5S+ 0 0 1 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.833 110.5 43.3 -60.9 -34.9 -12.2 27.2 -10.3 313 313 A V T 3<5S- 0 0 0 -4,-1.4 -96,-2.8 -3,-0.2 -1,-0.3 0.297 119.0-108.8 -95.2 11.7 -9.8 30.0 -11.1 314 314 A G T < 5S+ 0 0 25 -3,-1.6 2,-0.6 -4,-0.3 -3,-0.2 0.717 72.0 137.0 75.6 22.5 -11.2 30.6 -14.6 315 315 A V < 0 0 5 -5,-2.5 -1,-0.2 -6,-0.1 -2,-0.1 -0.917 360.0 360.0-107.6 115.3 -8.3 29.2 -16.6 316 316 A K 0 0 164 -2,-0.6 -1,-0.1 -5,-0.1 -5,-0.1 0.551 360.0 360.0-104.5 360.0 -9.2 27.0 -19.5