==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 29-OCT-98 6TLI . COMPND 2 MOLECULE: PROTEIN (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) . 12709.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 219 69.3 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 10.8 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 . 17 5.4 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 . 7 2.2 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 87 0, 0.0 2,-0.5 0, 0.0 23,-0.0 0.000 360.0 360.0 360.0 153.0 8.4 52.4 0.0 2 2 A T + 0 0 135 21,-0.0 2,-0.3 23,-0.0 21,-0.0 -0.903 360.0 96.0 -99.8 124.4 6.3 55.5 0.7 3 3 A G S S- 0 0 41 -2,-0.5 2,-0.5 22,-0.1 22,-0.2 -0.915 71.5 -46.6-176.7-159.3 6.5 56.8 4.3 4 4 A T E -A 24 0A 92 20,-2.1 20,-3.9 -2,-0.3 2,-0.2 -0.899 48.6-127.4-105.3 128.3 8.0 59.2 6.8 5 5 A S E +A 23 0A 65 -2,-0.5 2,-0.2 18,-0.3 18,-0.2 -0.566 43.9 153.0 -72.8 137.5 11.8 59.6 6.9 6 6 A T E -A 22 0A 54 16,-2.5 16,-2.0 -2,-0.2 2,-0.4 -0.787 39.6-104.7-151.8-172.3 13.2 59.1 10.3 7 7 A V E -A 21 0A 80 -2,-0.2 14,-0.2 14,-0.2 2,-0.2 -0.995 29.1-178.7-129.4 132.4 16.4 58.0 12.1 8 8 A G E -A 20 0A 3 12,-3.5 12,-2.6 -2,-0.4 2,-0.3 -0.452 15.6-135.7-121.5 176.8 17.1 54.8 13.8 9 9 A V E +Ab 19 61A 32 51,-1.5 53,-3.4 10,-0.3 2,-0.3 -0.985 30.0 142.4-134.1 149.7 20.1 53.4 15.7 10 10 A G E -Ab 18 62A 0 8,-2.4 8,-2.8 -2,-0.3 2,-0.4 -0.963 43.7 -89.8-162.7-168.2 22.0 50.1 15.7 11 11 A R E -A 17 0A 118 51,-2.2 60,-0.2 -2,-0.3 6,-0.2 -0.979 33.0-140.9-121.9 138.5 25.3 48.4 15.9 12 12 A G > - 0 0 3 4,-2.4 3,-2.2 -2,-0.4 56,-0.2 -0.044 41.9 -81.3 -86.8-176.5 27.6 47.5 13.0 13 13 A V T 3 S+ 0 0 30 55,-0.5 55,-0.1 1,-0.3 122,-0.1 0.838 129.0 51.2 -58.6 -39.2 29.6 44.4 12.4 14 14 A L T 3 S- 0 0 77 54,-0.1 -1,-0.3 121,-0.1 -2,-0.0 0.330 121.0-102.7 -83.8 6.3 32.5 45.6 14.6 15 15 A G S < S+ 0 0 45 -3,-2.2 2,-0.3 1,-0.3 -2,-0.1 0.531 74.5 140.7 93.6 -5.1 30.2 46.5 17.6 16 16 A D - 0 0 48 1,-0.0 -4,-2.4 0, 0.0 2,-0.3 -0.596 50.3-124.9 -81.3 140.3 30.2 50.3 17.0 17 17 A Q E +A 11 0A 134 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.2 -0.704 37.1 166.9 -86.3 132.5 27.0 52.2 17.6 18 18 A K E -A 10 0A 13 -8,-2.8 -8,-2.4 -2,-0.3 2,-0.3 -0.981 33.6-122.8-146.3 158.1 25.6 54.3 14.7 19 19 A N E -A 9 0A 106 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.3 -0.717 30.8-169.2 -91.7 142.6 22.5 56.2 13.6 20 20 A I E -A 8 0A 4 -12,-2.6 -12,-3.5 -2,-0.3 2,-0.5 -0.999 26.2-111.1-136.8 154.2 21.1 55.3 10.2 21 21 A N E +A 7 0A 39 -2,-0.4 -14,-0.2 -14,-0.2 2,-0.2 -0.620 45.4 168.9 -85.7 115.7 18.4 56.9 8.0 22 22 A T E -A 6 0A 1 -16,-2.0 -16,-2.5 -2,-0.5 2,-0.4 -0.669 28.7-126.4-122.1 179.1 15.3 54.7 7.9 23 23 A T E -AC 5 29A 0 6,-1.7 6,-2.9 -18,-0.2 2,-0.5 -1.000 17.4-140.3-131.4 134.7 11.7 55.2 6.6 24 24 A Y E +AC 4 28A 97 -20,-3.9 -20,-2.1 -2,-0.4 4,-0.2 -0.833 40.4 138.3-101.8 129.6 8.5 54.5 8.6 25 25 A S S S- 0 0 45 2,-3.1 2,-2.7 -2,-0.5 -22,-0.1 -0.585 93.1 -53.0-162.4 73.0 5.5 52.9 7.1 26 26 A T S S+ 0 0 113 -2,-0.1 2,-0.3 32,-0.0 -2,-0.1 -0.303 139.6 40.0 85.0 -56.4 4.0 50.4 9.6 27 27 A Y S S- 0 0 119 -2,-2.7 -2,-3.1 32,-0.0 2,-0.6 -0.735 94.7-113.2-105.8 167.7 7.5 48.9 9.8 28 28 A Y E -CD 24 57A 59 29,-3.4 29,-3.0 -2,-0.3 2,-0.3 -0.896 39.3-162.3-100.9 127.0 10.8 50.8 9.8 29 29 A Y E -CD 23 56A 39 -6,-2.9 2,-2.3 -2,-0.6 -6,-1.7 -0.828 29.8-113.9-111.5 154.4 12.7 50.1 6.7 30 30 A L S S+ 0 0 0 25,-2.3 11,-2.2 -2,-0.3 2,-0.4 -0.472 70.7 129.5 -83.5 85.4 16.3 50.5 5.7 31 31 A Q E -E 40 0B 8 -2,-2.3 2,-0.7 9,-0.2 9,-0.2 -0.984 44.1-158.8-145.4 109.6 15.5 53.1 3.1 32 32 A D E > +E 39 0B 1 7,-3.0 7,-1.9 -2,-0.4 3,-0.5 -0.909 12.3 177.9 -96.5 109.0 17.5 56.4 3.2 33 33 A N T 3 + 0 0 60 -2,-0.7 -1,-0.1 -11,-0.3 -28,-0.1 0.322 66.6 78.9 -89.2 1.1 15.6 59.1 1.4 34 34 A T T 3 S+ 0 0 84 1,-0.1 2,-0.5 5,-0.1 -1,-0.2 0.523 84.6 65.7 -91.2 -5.7 18.1 61.9 2.1 35 35 A R S X S- 0 0 48 -3,-0.5 3,-2.5 4,-0.1 -1,-0.1 -0.947 110.9 -64.8-126.0 113.5 20.6 60.9 -0.6 36 36 A G T 3 S- 0 0 27 -2,-0.5 62,-0.1 1,-0.3 3,-0.1 -0.153 112.9 -19.5 50.1-132.2 19.7 61.1 -4.3 37 37 A D T 3 S- 0 0 113 60,-2.6 -1,-0.3 1,-0.3 62,-0.2 0.313 119.2 -76.2 -93.4 21.9 16.9 58.7 -5.2 38 38 A G < - 0 0 1 -3,-2.5 62,-2.4 60,-0.2 2,-0.5 -0.102 28.6-113.9 111.9 151.0 17.5 56.6 -2.1 39 39 A I E -Ef 32 100B 0 -7,-1.9 -7,-3.0 60,-0.2 2,-0.4 -0.996 36.5-170.6-120.3 125.8 19.8 54.0 -0.6 40 40 A F E -Ef 31 101B 22 60,-2.6 62,-2.0 -2,-0.5 2,-0.4 -0.981 8.0-161.0-123.0 131.0 17.9 50.7 -0.0 41 41 A T E - f 0 102B 0 -11,-2.2 14,-2.7 -2,-0.4 2,-0.3 -0.953 11.4-165.0-124.0 128.3 19.2 47.7 1.9 42 42 A Y E -Gf 54 103B 25 60,-2.6 62,-2.7 -2,-0.4 2,-0.6 -0.827 21.0-127.8-113.6 156.9 17.7 44.2 1.5 43 43 A D E -Gf 53 104B 21 10,-3.1 10,-2.1 -2,-0.3 62,-0.2 -0.906 15.6-175.2-103.0 118.0 17.8 40.9 3.3 44 44 A A > - 0 0 2 60,-2.9 3,-2.3 -2,-0.6 5,-0.3 0.530 30.7-142.4 -93.0 -1.5 18.8 38.0 1.0 45 45 A K T 3 - 0 0 110 59,-0.4 61,-0.2 1,-0.3 60,-0.1 0.817 62.4 -55.0 57.2 37.5 18.2 35.6 3.9 46 46 A Y T 3 S+ 0 0 110 59,-2.8 -1,-0.3 1,-0.3 60,-0.2 0.542 115.7 106.6 72.3 14.5 21.1 33.2 3.2 47 47 A R S < S- 0 0 167 -3,-2.3 60,-2.2 58,-0.3 -1,-0.3 -0.506 72.2-128.0-118.0-170.9 20.0 32.6 -0.4 48 48 A T S S+ 0 0 83 58,-0.2 2,-0.4 -2,-0.2 58,-0.1 0.339 71.0 112.1-117.5 12.0 21.3 33.8 -3.8 49 49 A T S S- 0 0 92 -5,-0.3 -2,-0.2 2,-0.1 58,-0.1 -0.703 71.3-105.4 -86.0 126.7 18.1 35.1 -5.2 50 50 A L S S+ 0 0 60 -2,-0.4 -2,-0.1 1,-0.1 71,-0.0 -0.917 81.3 2.1-113.8 147.1 18.5 38.9 -5.5 51 51 A P S S- 0 0 46 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.967 78.2-167.0 -89.0 -10.1 17.6 41.4 -4.2 52 52 A G - 0 0 35 -8,-0.1 2,-0.4 51,-0.1 -8,-0.2 -0.801 49.4 -29.0 96.8-150.3 15.7 39.6 -1.5 53 53 A S E -G 43 0B 53 -10,-2.1 -10,-3.1 -2,-0.3 -8,-0.1 -0.847 66.2-103.4-106.5 136.2 13.2 41.6 0.8 54 54 A L E -G 42 0B 32 -2,-0.4 2,-0.4 -12,-0.2 -12,-0.3 -0.319 54.4 -99.9 -56.9 129.9 13.6 45.3 1.6 55 55 A W - 0 0 13 -14,-2.7 -25,-2.3 -25,-0.3 2,-0.4 -0.458 48.3-172.5 -66.3 124.0 14.9 45.2 5.2 56 56 A A E -D 29 0A 44 -2,-0.4 2,-0.4 -27,-0.2 -27,-0.2 -0.901 6.0-173.3-117.2 141.1 12.0 45.8 7.6 57 57 A D E -D 28 0A 22 -29,-3.0 -29,-3.4 -2,-0.4 3,-0.2 -0.991 22.2-142.8-140.7 138.4 12.2 46.3 11.4 58 58 A A S S+ 0 0 76 -2,-0.4 -1,-0.1 -31,-0.2 -29,-0.1 0.801 95.2 19.0 -72.1 -32.2 9.5 46.6 14.0 59 59 A D S S- 0 0 87 2,-0.3 -1,-0.2 -31,-0.1 3,-0.1 0.231 94.4-115.0-126.8 7.3 11.0 49.2 16.3 60 60 A N S S+ 0 0 19 1,-0.2 -51,-1.5 -3,-0.2 2,-0.4 0.692 80.0 116.1 72.8 12.0 13.8 51.1 14.5 61 61 A Q E -b 9 0A 104 -53,-0.2 2,-0.4 -51,-0.0 -2,-0.3 -0.953 45.7-167.2-111.8 118.5 16.6 49.6 16.9 62 62 A F E +b 10 0A 0 -53,-3.4 -51,-2.2 -2,-0.4 9,-0.1 -0.478 43.0 124.1-113.2 69.3 19.1 47.5 15.0 63 63 A F + 0 0 58 -2,-0.4 -1,-0.2 -53,-0.2 2,-0.2 0.395 37.3 108.9-102.2 -0.9 21.0 45.8 17.8 64 64 A A S >> S- 0 0 53 -3,-0.2 3,-1.2 1,-0.1 4,-1.0 -0.468 76.6-122.9 -73.9 148.0 20.5 42.1 16.9 65 65 A S G >4 S+ 0 0 114 1,-0.3 3,-0.9 2,-0.2 -1,-0.1 0.920 113.5 58.7 -64.1 -29.7 23.6 40.3 15.6 66 66 A Y G 34 S+ 0 0 72 1,-0.2 4,-0.3 2,-0.1 -1,-0.3 0.766 103.4 54.6 -63.7 -28.3 21.6 39.4 12.3 67 67 A D G X> S+ 0 0 15 -3,-1.2 4,-2.6 1,-0.2 3,-0.9 0.727 85.0 86.3 -75.3 -27.9 21.1 43.2 11.8 68 68 A A H S+ 0 0 4 0, 0.0 4,-2.1 0, 0.0 -1,-0.3 0.838 113.0 51.4 -68.8 -28.5 25.7 43.6 8.3 70 70 A A H <> S+ 0 0 0 -3,-0.9 4,-2.4 -4,-0.3 5,-0.3 0.927 106.8 53.5 -76.2 -35.7 22.6 45.5 7.2 71 71 A V H X S+ 0 0 0 -4,-2.6 4,-2.9 -60,-0.2 5,-0.2 0.952 114.1 41.7 -60.3 -50.8 23.5 48.5 9.4 72 72 A D H X S+ 0 0 0 -4,-2.3 4,-3.1 2,-0.2 5,-0.3 0.907 112.1 52.8 -67.5 -38.2 27.0 48.7 7.9 73 73 A A H X S+ 0 0 0 -4,-2.1 4,-1.7 -5,-0.2 -1,-0.2 0.931 116.0 41.4 -60.8 -42.6 26.0 48.2 4.3 74 74 A H H X S+ 0 0 3 -4,-2.4 4,-1.5 2,-0.2 -1,-0.2 0.923 118.2 45.1 -70.1 -43.7 23.4 50.9 4.6 75 75 A Y H X S+ 0 0 92 -4,-2.9 4,-2.0 -5,-0.3 -2,-0.2 0.922 113.3 48.4 -68.6 -46.9 25.5 53.3 6.5 76 76 A Y H X S+ 0 0 4 -4,-3.1 4,-2.2 -5,-0.2 -1,-0.2 0.847 105.8 58.3 -73.1 -18.6 28.7 52.9 4.5 77 77 A A H X S+ 0 0 0 -4,-1.7 4,-2.1 -5,-0.3 -1,-0.2 0.908 106.7 49.2 -69.1 -34.0 26.8 53.3 1.2 78 78 A G H X S+ 0 0 1 -4,-1.5 4,-2.7 2,-0.2 -2,-0.2 0.905 110.5 50.3 -70.4 -41.1 25.7 56.8 2.5 79 79 A V H X S+ 0 0 16 -4,-2.0 4,-2.6 1,-0.2 -1,-0.2 0.937 111.9 46.9 -60.7 -48.6 29.3 57.6 3.4 80 80 A T H X S+ 0 0 5 -4,-2.2 4,-2.6 2,-0.2 5,-0.2 0.910 111.7 51.6 -53.7 -42.4 30.5 56.6 -0.0 81 81 A Y H X S+ 0 0 16 -4,-2.1 4,-2.5 1,-0.2 11,-0.2 0.969 111.1 48.2 -65.7 -42.2 27.7 58.7 -1.6 82 82 A D H X S+ 0 0 37 -4,-2.7 4,-3.6 2,-0.2 5,-0.4 0.912 109.4 53.5 -61.7 -46.1 28.7 61.7 0.5 83 83 A Y H X>S+ 0 0 11 -4,-2.6 4,-2.5 1,-0.2 5,-0.7 0.977 112.1 42.8 -57.3 -54.9 32.4 61.3 -0.5 84 84 A Y H X5S+ 0 0 10 -4,-2.6 6,-2.3 1,-0.2 4,-0.9 0.865 118.8 45.6 -63.7 -32.2 31.6 61.3 -4.2 85 85 A K H X5S+ 0 0 81 -4,-2.5 4,-1.0 4,-0.2 -2,-0.2 0.965 120.2 36.2 -73.2 -48.5 29.1 64.2 -3.8 86 86 A N H <5S+ 0 0 92 -4,-3.6 -2,-0.2 -5,-0.2 -3,-0.2 0.719 128.1 32.2 -79.2 -30.8 31.2 66.5 -1.6 87 87 A V H <5S+ 0 0 49 -4,-2.5 -3,-0.2 -5,-0.4 -2,-0.1 0.862 135.2 20.8 -96.7 -31.3 34.7 65.8 -3.0 88 88 A H H < S- 0 0 8 -2,-0.9 3,-0.9 5,-0.2 7,-0.1 -0.010 92.1 -57.1 60.9-174.5 25.5 58.7 -7.1 93 93 A Y T 3 S+ 0 0 26 5,-0.3 58,-0.2 1,-0.3 -1,-0.2 0.803 136.7 44.1 -75.6 -27.6 27.3 56.2 -9.5 94 94 A D T 3 S- 0 0 52 -3,-0.2 -1,-0.3 4,-0.1 -2,-0.1 0.355 112.0-113.4 -89.2 -7.7 25.6 57.3 -12.7 95 95 A G S < S+ 0 0 33 -3,-0.9 -4,-0.3 -4,-0.3 -3,-0.2 0.454 102.9 81.2 86.9 3.0 26.0 61.0 -12.0 96 96 A N S S- 0 0 125 -6,-0.1 -4,-0.2 -5,-0.0 -3,-0.1 -0.113 111.9 -94.7-133.7 37.0 22.2 61.4 -11.7 97 97 A N - 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0 0 90 -2,-0.4 -9,-0.3 -9,-0.2 53,-0.1 -0.804 28.9-125.4 -84.9 128.2 57.9 63.6 -3.8 257 257 A G - 0 0 28 -2,-0.5 -12,-0.2 -11,-0.4 -11,-0.2 -0.403 22.0-170.4 -72.2 148.2 54.4 63.0 -2.4 258 258 A I - 0 0 25 -14,-2.7 4,-0.4 1,-0.1 -13,-0.2 0.334 47.1-105.2-120.7 3.3 51.7 65.5 -3.3 259 259 A G > - 0 0 25 -14,-2.4 4,-1.7 -15,-0.4 3,-0.4 0.167 28.6 -77.3 101.4 166.2 49.0 64.2 -0.8 260 260 A R H > S+ 0 0 105 1,-0.3 4,-2.4 2,-0.2 -1,-0.1 0.725 119.9 56.4 -75.9 -39.6 45.7 62.3 -0.8 261 261 A D H > S+ 0 0 90 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.885 110.2 42.5 -64.7 -45.8 43.5 65.0 -2.1 262 262 A K H > S+ 0 0 70 -3,-0.4 4,-2.7 -4,-0.4 -1,-0.2 0.809 111.3 57.5 -68.5 -38.9 45.5 65.7 -5.3 263 263 A L H X S+ 0 0 0 -4,-1.7 4,-2.3 2,-0.2 5,-0.3 0.949 108.7 46.0 -53.5 -53.2 45.8 62.0 -5.8 264 264 A G H X S+ 0 0 3 -4,-2.4 4,-2.5 2,-0.2 5,-0.3 0.941 113.8 48.8 -53.8 -46.8 41.9 61.7 -5.7 265 265 A K H X S+ 0 0 89 -4,-2.1 4,-2.3 1,-0.2 5,-0.2 0.953 112.4 47.0 -65.8 -46.1 41.5 64.7 -8.1 266 266 A I H X S+ 0 0 1 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.956 117.3 41.5 -59.8 -50.9 44.0 63.5 -10.7 267 267 A F H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.844 113.2 53.0 -72.6 -30.5 42.7 59.9 -10.8 268 268 A Y H X S+ 0 0 32 -4,-2.5 4,-2.3 -5,-0.3 5,-0.3 0.945 112.5 45.2 -68.4 -42.1 39.0 61.0 -10.7 269 269 A R H X>S+ 0 0 80 -4,-2.3 4,-2.0 -5,-0.3 5,-0.6 0.935 113.0 50.4 -65.4 -42.5 39.7 63.2 -13.7 270 270 A A H X>S+ 0 0 0 -4,-2.4 5,-1.9 -5,-0.2 4,-1.7 0.942 113.6 47.0 -59.9 -41.6 41.7 60.5 -15.5 271 271 A L H <5S+ 0 0 1 -4,-2.7 -118,-0.5 1,-0.2 -1,-0.2 0.855 120.5 34.2 -64.9 -44.6 38.8 58.1 -14.9 272 272 A T H <5S+ 0 0 41 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.604 130.4 29.4 -91.6 -13.4 35.9 60.3 -16.0 273 273 A Q H <5S+ 0 0 119 -4,-2.0 -3,-0.2 -5,-0.3 -2,-0.2 0.754 128.7 16.7-114.9 -34.6 37.7 62.2 -18.8 274 274 A Y T < - 0 0 65 -2,-0.2 3,-1.9 -122,-0.1 -120,-0.1 -0.772 41.3 -86.5-121.8-178.9 38.4 54.0 -22.3 277 277 A P T 3 S+ 0 0 67 0, 0.0 -121,-2.6 0, 0.0 -123,-0.1 0.760 125.4 34.5 -60.3 -32.7 37.2 50.4 -22.1 278 278 A T T 3 S+ 0 0 98 -123,-0.2 -117,-0.1 -117,-0.0 -118,-0.1 0.133 79.6 146.5-112.4 20.4 40.5 49.0 -23.3 279 279 A S < - 0 0 3 -3,-1.9 -115,-0.2 -126,-0.1 2,-0.2 -0.312 31.8-155.7 -53.0 142.0 43.0 51.4 -21.7 280 280 A N > - 0 0 64 -120,-0.1 4,-2.0 -119,-0.1 5,-0.2 -0.433 35.6 -86.5-111.7-175.6 46.3 49.7 -20.7 281 281 A F H > S+ 0 0 2 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.885 126.3 52.4 -64.1 -37.9 48.9 50.7 -18.1 282 282 A S H > S+ 0 0 54 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.938 110.5 48.6 -66.1 -32.5 50.8 53.0 -20.5 283 283 A Q H > S+ 0 0 93 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.904 106.5 55.9 -78.1 -26.3 47.6 54.8 -21.4 284 284 A L H X S+ 0 0 0 -4,-2.0 4,-3.2 2,-0.2 5,-0.3 0.956 106.6 52.2 -62.3 -40.1 46.7 55.2 -17.7 285 285 A R H X S+ 0 0 35 -4,-2.2 4,-2.8 1,-0.2 5,-0.2 0.977 111.2 46.0 -59.3 -45.5 50.1 57.0 -17.3 286 286 A A H X S+ 0 0 62 -4,-2.0 4,-2.6 1,-0.2 -1,-0.2 0.918 113.3 49.8 -64.2 -43.8 49.3 59.3 -20.2 287 287 A A H X S+ 0 0 7 -4,-2.8 4,-2.2 2,-0.2 -1,-0.2 0.927 112.2 47.2 -62.2 -40.9 45.8 59.9 -18.8 288 288 A A H X S+ 0 0 0 -4,-3.2 4,-2.5 2,-0.2 5,-0.3 0.914 112.6 49.2 -70.9 -35.1 47.1 60.7 -15.3 289 289 A V H X S+ 0 0 24 -4,-2.8 4,-2.6 -5,-0.3 -2,-0.2 0.940 112.7 48.1 -69.4 -38.3 49.8 63.0 -16.7 290 290 A Q H X S+ 0 0 86 -4,-2.6 4,-2.9 -5,-0.2 -1,-0.2 0.910 111.9 49.9 -65.8 -40.9 47.2 64.9 -18.8 291 291 A S H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.939 112.2 45.8 -62.8 -50.9 44.9 65.1 -15.8 292 292 A A H X S+ 0 0 0 -4,-2.5 4,-3.7 1,-0.2 5,-0.5 0.920 113.3 51.9 -56.7 -44.2 47.6 66.6 -13.5 293 293 A T H X S+ 0 0 36 -4,-2.6 4,-2.3 -5,-0.3 -2,-0.2 0.919 109.3 49.5 -58.0 -46.4 48.6 68.9 -16.4 294 294 A D H < S+ 0 0 62 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.872 120.7 35.7 -59.1 -43.8 44.9 70.1 -16.8 295 295 A L H < S+ 0 0 72 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.873 135.0 15.1 -80.4 -41.4 44.6 70.8 -13.0 296 296 A Y H < S- 0 0 64 -4,-3.7 -3,-0.2 -5,-0.2 -2,-0.2 0.495 106.8 -96.3-120.6 -1.4 48.1 72.0 -12.0 297 297 A G >< - 0 0 31 -4,-2.3 3,-1.9 -5,-0.5 6,-0.4 0.232 34.3 -90.1 99.0 141.0 50.1 73.0 -15.2 298 298 A S T 3 S+ 0 0 84 1,-0.3 -1,-0.1 -5,-0.1 -5,-0.1 0.639 125.6 47.2 -61.4 -15.7 52.6 71.1 -17.2 299 299 A T T 3 S+ 0 0 138 -6,-0.1 -1,-0.3 -3,-0.1 -2,-0.1 0.280 88.2 120.9-114.5 21.1 55.6 72.4 -15.2 300 300 A S S <> S- 0 0 18 -3,-1.9 4,-1.6 1,-0.1 5,-0.1 -0.194 73.4-122.1 -76.4 163.3 54.0 71.7 -11.8 301 301 A Q H > S+ 0 0 93 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.804 112.7 63.9 -62.4 -37.8 55.5 69.4 -9.1 302 302 A E H > S+ 0 0 25 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.904 104.2 43.9 -60.1 -44.1 52.2 67.4 -9.4 303 303 A V H > S+ 0 0 3 -6,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.925 112.9 52.7 -65.2 -42.5 53.0 66.5 -13.0 304 304 A A H X S+ 0 0 42 -4,-1.6 4,-2.3 1,-0.2 -2,-0.2 0.940 110.3 47.7 -61.8 -43.8 56.6 65.7 -12.1 305 305 A S H X S+ 0 0 0 -4,-2.8 4,-2.2 2,-0.2 -1,-0.2 0.853 107.5 54.9 -62.9 -38.6 55.5 63.4 -9.3 306 306 A V H X S+ 0 0 0 -4,-1.8 4,-1.9 1,-0.2 -2,-0.2 0.931 112.2 45.1 -63.7 -41.2 52.9 61.5 -11.4 307 307 A K H X S+ 0 0 87 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.855 112.3 49.7 -67.1 -44.6 55.7 60.8 -13.9 308 308 A Q H X S+ 0 0 75 -4,-2.3 4,-3.2 -5,-0.2 -1,-0.2 0.940 109.1 53.2 -56.3 -46.7 58.3 59.7 -11.3 309 309 A A H X S+ 0 0 0 -4,-2.2 4,-1.5 1,-0.2 -2,-0.2 0.956 111.4 44.7 -58.5 -44.9 55.8 57.4 -9.7 310 310 A F H <>S+ 0 0 0 -4,-1.9 5,-3.1 1,-0.2 4,-0.3 0.897 113.4 51.2 -68.0 -36.1 55.0 55.6 -13.0 311 311 A D H ><5S+ 0 0 46 -4,-2.3 3,-1.5 1,-0.2 -1,-0.2 0.928 105.7 56.1 -62.3 -45.1 58.7 55.5 -13.8 312 312 A A H 3<5S+ 0 0 2 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.813 111.3 43.2 -58.4 -27.9 59.4 53.9 -10.3 313 313 A V T 3<5S- 0 0 0 -4,-1.5 -96,-3.3 -3,-0.2 -1,-0.3 0.355 119.3-110.3-100.6 3.9 56.9 51.1 -11.1 314 314 A G T < 5 + 0 0 15 -3,-1.5 2,-0.7 -4,-0.3 -3,-0.2 0.733 68.7 141.2 86.1 19.8 58.3 50.7 -14.6 315 315 A V < 0 0 4 -5,-3.1 -1,-0.2 -6,-0.2 -2,-0.1 -0.874 360.0 360.0-102.5 115.3 55.3 52.0 -16.6 316 316 A K 0 0 150 -2,-0.7 -1,-0.2 -5,-0.1 -5,-0.1 0.722 360.0 360.0-105.2 360.0 56.3 54.0 -19.6