==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 04-JAN-13 3ZI6 . COMPND 2 MOLECULE: THERMOLYSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS THERMOPROTEOLYTICUS; . AUTHOR M.W.BOWLER . 318 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12626.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 221 69.5 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 10.7 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 . 27 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 105 33.0 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 0 133 0, 0.0 2,-0.3 0, 0.0 28,-0.0 0.000 360.0 360.0 360.0 -59.3 84.2 51.7 0.6 2 2 A T + 0 0 110 21,-0.0 2,-0.3 23,-0.0 21,-0.0 -0.656 360.0 94.8 -89.0 136.1 86.5 54.6 -0.3 3 3 A G S S- 0 0 48 -2,-0.3 2,-0.4 22,-0.0 22,-0.2 -0.952 72.6 -60.4 176.5-160.5 86.4 55.9 -4.0 4 4 A T E -A 24 0A 89 20,-1.7 20,-2.9 -2,-0.3 2,-0.3 -0.862 50.5-105.9-117.3 145.8 84.8 58.5 -6.1 5 5 A S E +A 23 0A 66 -2,-0.4 18,-0.2 18,-0.2 2,-0.2 -0.497 45.8 170.8 -75.6 132.6 81.1 58.9 -6.7 6 6 A T E -A 22 0A 30 16,-2.7 16,-2.3 -2,-0.3 2,-0.4 -0.707 29.6-124.4-131.3 175.2 79.9 57.8 -10.1 7 7 A V E -A 21 0A 85 14,-0.2 14,-0.2 -2,-0.2 2,-0.1 -0.954 25.8-176.4-132.9 113.7 76.7 57.2 -11.9 8 8 A G E -A 20 0A 2 12,-2.8 12,-2.3 -2,-0.4 2,-0.4 -0.392 15.8-136.0 -95.0 175.8 75.9 54.0 -13.5 9 9 A V E +Ab 19 61A 35 51,-1.6 53,-2.8 10,-0.3 2,-0.3 -0.994 31.9 146.8-137.1 144.4 72.9 53.0 -15.6 10 10 A G E -Ab 18 62A 0 8,-2.5 8,-2.4 -2,-0.4 2,-0.4 -0.887 40.4-100.6-160.6-176.1 70.8 49.8 -15.5 11 11 A R E -A 17 0A 99 51,-2.0 60,-0.2 -2,-0.3 6,-0.2 -0.984 31.1-140.5-127.9 131.5 67.5 48.1 -15.8 12 12 A G > - 0 0 4 4,-2.4 3,-1.8 -2,-0.4 56,-0.2 -0.117 37.7 -85.2 -76.8-175.9 65.2 47.1 -13.0 13 13 A V T 3 S+ 0 0 27 55,-0.5 122,-0.1 1,-0.3 55,-0.1 0.750 128.1 49.5 -65.1 -29.7 63.0 44.1 -12.4 14 14 A L T 3 S- 0 0 73 121,-0.1 -1,-0.3 54,-0.1 178,-0.0 0.267 121.4-104.8 -94.3 8.0 60.1 45.5 -14.5 15 15 A G S < S+ 0 0 32 -3,-1.8 2,-0.3 1,-0.3 -2,-0.1 0.420 73.9 134.9 87.7 -0.6 62.5 46.4 -17.4 16 16 A D - 0 0 80 1,-0.1 -4,-2.4 -5,-0.0 2,-0.3 -0.612 51.8-124.4 -84.1 145.9 62.8 50.2 -17.0 17 17 A Q E +A 11 0A 121 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.2 -0.609 36.6 165.2 -86.1 141.6 66.1 52.0 -17.3 18 18 A K E -A 10 0A 19 -8,-2.4 -8,-2.5 -2,-0.3 2,-0.3 -0.990 35.4-112.0-152.7 155.9 67.3 54.1 -14.5 19 19 A N E -A 9 0A 101 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.3 -0.646 31.5-165.1 -82.2 143.1 70.5 55.8 -13.3 20 20 A I E -A 8 0A 3 -12,-2.3 -12,-2.8 -2,-0.3 2,-0.5 -0.993 22.5-118.1-133.7 144.3 72.0 54.6 -10.0 21 21 A N E +A 7 0A 41 -2,-0.4 -14,-0.2 -14,-0.2 2,-0.2 -0.665 43.0 171.2 -79.9 124.4 74.6 56.2 -7.8 22 22 A T E -A 6 0A 1 -16,-2.3 -16,-2.7 -2,-0.5 2,-0.4 -0.681 29.0-125.2-129.2 174.7 77.7 54.0 -7.6 23 23 A T E -AC 5 29A 2 6,-2.2 6,-3.5 -18,-0.2 2,-0.5 -0.999 18.7-145.3-127.3 129.8 81.3 54.2 -6.2 24 24 A Y E +AC 4 28A 93 -20,-2.9 -20,-1.7 -2,-0.4 4,-0.2 -0.865 39.7 136.3-103.5 124.6 84.4 53.6 -8.3 25 25 A S S S- 0 0 49 2,-2.8 2,-2.3 -2,-0.5 -2,-0.0 -0.635 96.0 -46.6-159.6 88.7 87.5 52.0 -6.8 26 26 A T S S+ 0 0 111 -2,-0.1 2,-0.3 32,-0.0 -2,-0.1 -0.336 140.7 37.0 70.8 -58.6 88.9 49.4 -9.3 27 27 A Y S S- 0 0 111 -2,-2.3 -2,-2.8 -4,-0.1 2,-0.6 -0.728 93.8-110.6-106.5 166.1 85.3 48.2 -9.7 28 28 A Y E -CD 24 57A 61 29,-2.9 29,-2.4 -2,-0.3 2,-0.3 -0.917 39.7-159.9 -97.2 124.1 82.1 50.1 -9.7 29 29 A Y E -CD 23 56A 55 -6,-3.5 -6,-2.2 -2,-0.6 2,-2.1 -0.767 29.0-114.6-106.1 151.8 80.1 49.4 -6.5 30 30 A L S S+ 0 0 0 25,-2.1 11,-2.6 11,-0.3 2,-0.4 -0.539 71.8 128.5 -77.8 78.3 76.5 49.8 -5.6 31 31 A Q E -E 40 0B 4 -2,-2.1 2,-0.7 9,-0.2 9,-0.2 -0.965 44.6-159.9-142.8 109.8 77.3 52.4 -3.0 32 32 A D E +E 39 0B 2 7,-2.8 7,-2.0 -2,-0.4 3,-0.4 -0.885 11.8 178.2 -99.0 105.6 75.4 55.7 -3.2 33 33 A N + 0 0 57 -2,-0.7 -1,-0.1 -11,-0.3 5,-0.1 0.405 67.8 81.0 -85.0 -3.3 77.3 58.5 -1.3 34 34 A T S S+ 0 0 85 1,-0.1 2,-0.5 5,-0.1 -1,-0.2 0.596 85.5 63.1 -78.8 -15.9 74.8 61.2 -2.2 35 35 A R S > S- 0 0 47 -3,-0.4 3,-2.3 4,-0.1 -1,-0.1 -0.922 112.1 -65.2-121.2 111.5 72.3 60.1 0.6 36 36 A G T 3 S- 0 0 25 -2,-0.5 62,-0.1 1,-0.3 3,-0.1 -0.228 112.6 -18.8 54.4-137.1 73.3 60.4 4.3 37 37 A D T 3 S- 0 0 108 60,-2.0 -1,-0.3 1,-0.3 62,-0.2 0.295 121.0 -81.4 -82.3 11.9 76.2 58.0 5.3 38 38 A G < - 0 0 1 -3,-2.3 62,-2.1 60,-0.2 2,-0.4 -0.122 28.4-105.3 115.7 152.9 75.4 56.1 2.1 39 39 A I E -Ef 32 100B 0 -7,-2.0 -7,-2.8 60,-0.2 2,-0.5 -0.987 36.8-168.7-112.4 128.2 73.2 53.4 0.5 40 40 A F E -Ef 31 101B 10 60,-2.9 62,-2.1 -2,-0.4 2,-0.4 -0.968 6.2-163.7-125.6 123.5 74.9 50.1 0.1 41 41 A T E - f 0 102B 0 -11,-2.6 14,-2.6 -2,-0.5 -11,-0.3 -0.950 11.6-165.4-117.5 130.3 73.6 47.2 -1.9 42 42 A Y E -Gf 54 103B 27 60,-3.2 62,-2.4 -2,-0.4 2,-0.6 -0.785 20.1-128.8-117.0 154.6 75.0 43.6 -1.5 43 43 A D E -Gf 53 104B 19 10,-2.7 10,-2.1 -2,-0.3 62,-0.2 -0.920 12.4-171.9-100.7 114.0 74.9 40.3 -3.3 44 44 A A > - 0 0 3 60,-3.1 3,-2.6 -2,-0.6 5,-0.3 0.528 30.3-141.0 -80.2 -6.4 73.8 37.3 -1.1 45 45 A K T 3 - 0 0 106 59,-0.3 61,-0.1 1,-0.3 60,-0.1 0.772 64.0 -57.6 59.6 34.1 74.7 35.0 -4.1 46 46 A Y T 3 S+ 0 0 106 59,-2.4 -1,-0.3 1,-0.3 60,-0.2 0.532 116.3 108.9 70.8 7.7 71.7 32.7 -3.4 47 47 A R S < S- 0 0 179 -3,-2.6 60,-2.5 58,-0.3 -1,-0.3 -0.443 73.1-126.7-103.9-175.0 72.9 32.0 0.2 48 48 A T S S+ 0 0 81 58,-0.2 2,-0.3 -2,-0.1 -3,-0.1 0.381 70.2 113.4-115.0 3.1 71.5 33.1 3.5 49 49 A T S S- 0 0 103 -5,-0.3 -2,-0.2 2,-0.1 58,-0.1 -0.597 70.4-100.9 -75.9 133.1 74.7 34.6 5.0 50 50 A L S S- 0 0 51 -2,-0.3 -2,-0.1 1,-0.2 71,-0.0 -0.911 83.7 -4.4-121.5 144.9 74.3 38.3 5.4 51 51 A P S S- 0 0 45 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.987 80.2-167.1 -81.3 -11.2 75.1 40.9 4.0 52 52 A G - 0 0 34 -8,-0.1 2,-0.4 -10,-0.1 -8,-0.2 -0.784 51.1 -23.6 89.5-142.7 77.1 38.9 1.4 53 53 A S E -G 43 0B 48 -10,-2.1 -10,-2.7 -2,-0.3 -8,-0.1 -0.868 67.3-103.1-114.8 139.1 79.4 41.0 -0.8 54 54 A L E -G 42 0B 39 -2,-0.4 -12,-0.2 -12,-0.2 2,-0.2 -0.255 57.7 -97.0 -55.7 131.1 79.2 44.7 -1.6 55 55 A W - 0 0 10 -14,-2.6 -25,-2.1 -25,-0.3 2,-0.4 -0.389 48.4-168.3 -66.7 120.3 77.8 44.6 -5.2 56 56 A A E -D 29 0A 48 -27,-0.2 2,-0.3 -2,-0.2 -27,-0.2 -0.927 9.3-179.8-112.5 137.2 80.8 45.0 -7.6 57 57 A D E -D 28 0A 21 -29,-2.4 -29,-2.9 -2,-0.4 3,-0.1 -0.992 23.2-145.1-139.7 133.8 80.5 45.6 -11.4 58 58 A A S S+ 0 0 73 -2,-0.3 -1,-0.1 -31,-0.2 -29,-0.1 0.818 94.1 22.6 -73.9 -28.3 83.3 46.0 -13.9 59 59 A D S S- 0 0 86 2,-0.3 -1,-0.2 -31,-0.1 3,-0.1 0.387 96.4-114.7-126.3 4.7 81.9 48.6 -16.2 60 60 A N S S+ 0 0 20 1,-0.2 -51,-1.6 -32,-0.2 2,-0.5 0.646 81.0 117.0 67.6 14.6 79.1 50.6 -14.3 61 61 A Q E -b 9 0A 105 -53,-0.2 2,-0.3 -51,-0.0 -2,-0.3 -0.960 44.8-170.3-114.0 128.8 76.4 49.2 -16.7 62 62 A F E +b 10 0A 0 -53,-2.8 -51,-2.0 -2,-0.5 9,-0.1 -0.512 41.0 121.4-122.8 70.5 73.8 47.0 -15.0 63 63 A F + 0 0 74 -2,-0.3 2,-0.1 -53,-0.2 -1,-0.1 0.322 38.6 111.2-114.8 3.3 71.7 45.4 -17.7 64 64 A A S >> S- 0 0 52 -3,-0.2 4,-1.1 1,-0.1 3,-0.7 -0.475 76.7-120.4 -74.9 148.1 72.2 41.7 -17.0 65 65 A S G >4 S+ 0 0 116 1,-0.2 3,-0.7 2,-0.2 -1,-0.1 0.897 116.7 56.6 -52.7 -42.0 69.2 39.8 -15.6 66 66 A Y G 34 S+ 0 0 74 1,-0.2 4,-0.4 2,-0.1 -1,-0.2 0.830 105.5 54.9 -59.1 -31.4 71.3 39.0 -12.4 67 67 A D G X> S+ 0 0 16 -3,-0.7 4,-2.2 1,-0.2 3,-0.8 0.784 85.6 81.3 -71.9 -31.9 71.7 42.7 -12.0 68 68 A A H S+ 0 0 4 0, 0.0 4,-2.3 0, 0.0 -1,-0.3 0.877 113.3 49.0 -63.7 -31.0 67.1 43.0 -8.4 70 70 A A H <> S+ 0 0 0 -3,-0.8 4,-2.2 -4,-0.4 5,-0.3 0.894 107.1 55.5 -72.7 -42.3 70.2 44.9 -7.2 71 71 A V H X S+ 0 0 0 -4,-2.2 4,-2.7 -60,-0.2 5,-0.2 0.937 112.9 41.2 -53.3 -49.3 69.4 47.8 -9.4 72 72 A D H X S+ 0 0 0 -4,-2.1 4,-3.1 2,-0.2 5,-0.4 0.907 111.5 53.3 -74.3 -39.0 65.9 48.2 -7.9 73 73 A A H X S+ 0 0 0 -4,-2.3 4,-1.5 -5,-0.2 -1,-0.2 0.937 116.5 41.9 -56.1 -42.5 66.8 47.6 -4.2 74 74 A H H X S+ 0 0 4 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.961 118.6 43.4 -70.5 -48.9 69.5 50.3 -4.6 75 75 A Y H X S+ 0 0 93 -4,-2.7 4,-2.1 -5,-0.3 -2,-0.2 0.915 115.4 46.9 -65.5 -47.4 67.3 52.7 -6.5 76 76 A Y H X S+ 0 0 8 -4,-3.1 4,-2.5 1,-0.2 -1,-0.2 0.822 106.4 58.7 -73.0 -25.1 64.2 52.3 -4.5 77 77 A A H X S+ 0 0 0 -4,-1.5 4,-2.3 -5,-0.4 -1,-0.2 0.920 107.6 48.6 -63.5 -38.1 66.1 52.6 -1.3 78 78 A G H X S+ 0 0 0 -4,-1.8 4,-2.5 1,-0.2 -2,-0.2 0.903 110.1 50.3 -64.7 -44.5 67.2 56.1 -2.6 79 79 A V H X S+ 0 0 15 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.919 111.3 47.8 -57.0 -43.9 63.6 57.0 -3.5 80 80 A T H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.890 110.6 51.6 -67.4 -36.9 62.5 56.0 -0.0 81 81 A Y H X S+ 0 0 13 -4,-2.3 4,-2.3 1,-0.2 11,-0.3 0.941 109.9 51.5 -61.1 -43.9 65.4 58.0 1.6 82 82 A D H X S+ 0 0 40 -4,-2.5 4,-2.7 1,-0.2 5,-0.4 0.868 107.2 52.3 -65.4 -38.0 64.3 60.9 -0.5 83 83 A Y H X>S+ 0 0 10 -4,-2.1 4,-2.8 2,-0.2 5,-0.8 0.971 111.5 45.3 -61.3 -53.8 60.7 60.6 0.6 84 84 A Y H X5S+ 0 0 4 -4,-2.5 6,-2.9 3,-0.2 4,-1.1 0.914 117.7 44.1 -61.1 -35.4 61.5 60.7 4.3 85 85 A K H X5S+ 0 0 89 -4,-2.3 4,-1.3 4,-0.3 -2,-0.2 0.980 121.7 35.3 -71.7 -54.5 64.0 63.6 3.9 86 86 A N H <5S+ 0 0 96 -4,-2.7 -2,-0.2 -5,-0.2 -3,-0.2 0.826 128.0 34.2 -73.1 -36.6 61.9 65.8 1.6 87 87 A V H <5S+ 0 0 51 -4,-2.8 -3,-0.2 -5,-0.4 -1,-0.2 0.881 135.1 18.1 -90.0 -40.9 58.5 65.1 3.1 88 88 A H H < S- 0 0 3 -2,-0.9 3,-0.8 -11,-0.3 7,-0.1 0.001 92.1 -55.0 59.3-171.1 67.4 58.1 7.0 93 93 A Y T 3 S+ 0 0 18 5,-0.3 58,-0.2 1,-0.3 -1,-0.2 0.815 138.5 42.2 -73.4 -31.9 65.7 55.6 9.3 94 94 A D T 3 S- 0 0 46 -3,-0.2 -1,-0.3 56,-0.1 -2,-0.1 0.364 109.7-118.0 -91.9 0.0 67.3 56.6 12.6 95 95 A G S < S+ 0 0 29 -3,-0.8 -4,-0.3 -4,-0.3 -3,-0.2 0.502 100.7 83.5 75.5 1.9 67.0 60.3 11.8 96 96 A N S S- 0 0 124 -6,-0.1 -4,-0.2 -5,-0.1 -1,-0.1 -0.121 112.0 -95.8-125.1 33.8 70.8 60.6 11.8 97 97 A N - 0 0 34 -6,-2.4 -60,-2.0 1,-0.2 -5,-0.2 0.767 55.0-175.2 57.6 34.2 71.7 59.5 8.3 98 98 A A - 0 0 16 -7,-0.4 -5,-0.3 -62,-0.1 -60,-0.2 -0.203 35.6 -97.2 -55.9 144.0 72.4 55.9 9.2 99 99 A A - 0 0 14 -62,-0.2 2,-0.6 -63,-0.1 -60,-0.2 -0.413 34.6-137.8 -63.3 142.3 73.7 53.9 6.2 100 100 A I E -f 39 0B 1 -62,-2.1 -60,-2.9 -2,-0.1 2,-0.4 -0.925 22.3-171.2-110.5 118.3 71.0 51.9 4.5 101 101 A R E +f 40 0B 93 -2,-0.6 19,-2.2 17,-0.3 2,-0.3 -0.925 7.3 178.4-115.7 138.9 72.0 48.4 3.5 102 102 A S E -fh 41 120B 0 -62,-2.1 -60,-3.2 -2,-0.4 2,-0.4 -0.986 12.0-156.9-137.1 138.7 70.1 45.9 1.4 103 103 A S E -fh 42 121B 0 17,-2.1 19,-2.2 -2,-0.3 2,-0.2 -0.972 12.3-169.5-114.4 139.8 71.0 42.4 0.2 104 104 A V E +f 43 0B 0 -62,-2.4 -60,-3.1 -2,-0.4 -59,-0.3 -0.696 63.5 43.9-121.9 171.8 69.5 40.7 -2.9 105 105 A H E S+ 0 0 8 17,-0.4 -59,-2.4 -2,-0.2 2,-0.5 0.877 74.8 177.8 55.4 39.0 69.5 37.2 -4.3 106 106 A Y E - h 0 123B 37 16,-1.9 18,-0.5 -3,-0.2 4,-0.5 -0.651 50.9 -33.3 -73.2 121.6 68.9 35.9 -0.8 107 107 A S S S- 0 0 34 -60,-2.5 2,-0.4 -2,-0.5 -60,-0.1 -0.117 92.2 -64.4 61.8-159.8 68.5 32.1 -0.7 108 108 A Q S S- 0 0 158 1,-0.1 3,-0.1 15,-0.1 18,-0.1 -0.990 110.3 -7.9-128.5 128.5 67.0 30.2 -3.7 109 109 A G S S+ 0 0 38 -2,-0.4 2,-0.6 16,-0.4 17,-0.3 0.793 83.4 174.1 61.7 28.6 63.4 30.6 -4.7 110 110 A Y - 0 0 71 -4,-0.5 15,-2.0 15,-0.3 2,-1.1 -0.598 22.0-158.6 -85.0 118.2 62.7 32.8 -1.6 111 111 A N + 0 0 32 -2,-0.6 2,-0.3 14,-0.1 -1,-0.1 -0.312 63.2 47.7 -88.8 53.7 59.2 34.2 -1.7 112 112 A N - 0 0 24 -2,-1.1 11,-2.4 206,-0.1 2,-0.3 -0.972 57.6-144.9-170.6 177.1 59.7 37.1 0.7 113 113 A A E +I 122 0B 1 -2,-0.3 206,-0.4 9,-0.2 2,-0.3 -0.915 23.5 173.5-150.5 162.7 61.7 40.1 1.8 114 114 A F E -I 121 0B 53 7,-2.3 7,-2.3 -2,-0.3 2,-0.5 -0.985 37.2-117.3-165.3 164.1 62.4 41.5 5.3 115 115 A W E -I 120 0B 27 -2,-0.3 5,-0.2 5,-0.2 -13,-0.0 -0.944 25.4-164.3-105.3 124.0 64.1 44.0 7.6 116 116 A N - 0 0 69 3,-2.5 4,-0.1 -2,-0.5 -1,-0.0 0.077 55.5 -87.6-100.7 17.8 66.3 41.9 10.0 117 117 A G S S+ 0 0 40 2,-0.2 3,-0.1 1,-0.0 -2,-0.0 0.114 125.7 39.4 93.0 -14.4 66.9 44.7 12.6 118 118 A S S S- 0 0 83 1,-0.5 -17,-0.3 -17,-0.0 2,-0.3 0.492 120.3 -1.0-133.2 -25.7 70.0 45.9 10.6 119 119 A E - 0 0 12 -19,-0.1 -3,-2.5 24,-0.0 -1,-0.5 -0.978 69.4 -93.2-160.8 171.1 69.3 45.8 6.9 120 120 A M E -hI 102 115B 0 -19,-2.2 -17,-2.1 -2,-0.3 2,-0.4 -0.614 33.1-166.3 -91.1 147.9 66.8 44.9 4.1 121 121 A V E -hI 103 114B 0 -7,-2.3 -7,-2.3 -2,-0.2 2,-0.5 -0.997 1.6-164.1-141.2 135.0 66.9 41.5 2.5 122 122 A Y E - 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0 0 72 -2,-0.5 -9,-0.2 -9,-0.2 53,-0.1 -0.796 27.2-128.5 -87.9 121.8 35.5 62.8 4.2 257 257 A G - 0 0 30 -2,-0.6 -12,-0.3 -11,-0.3 -11,-0.2 -0.336 19.3-167.4 -72.5 152.0 39.0 62.2 2.8 258 258 A I - 0 0 26 -14,-2.7 4,-0.4 1,-0.2 -13,-0.2 0.321 47.4-105.1-122.7 1.1 41.7 64.8 3.4 259 259 A G > - 0 0 28 -14,-2.2 4,-1.7 -15,-0.4 -1,-0.2 0.056 33.5 -75.7 94.6 163.1 44.2 63.5 0.8 260 260 A R H > S+ 0 0 94 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.853 120.7 58.5 -65.1 -38.9 47.5 61.5 1.0 261 261 A D H > S+ 0 0 132 1,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.911 109.7 43.1 -65.3 -41.5 49.8 64.3 2.2 262 262 A K H > S+ 0 0 79 -4,-0.4 4,-2.6 2,-0.2 -1,-0.3 0.859 110.4 55.1 -75.3 -35.3 47.8 64.9 5.3 263 263 A L H X S+ 0 0 0 -4,-1.7 4,-2.7 1,-0.2 5,-0.3 0.947 110.9 48.1 -54.1 -52.8 47.4 61.2 6.0 264 264 A G H X S+ 0 0 2 -4,-2.6 4,-2.4 1,-0.2 5,-0.3 0.894 110.8 49.7 -55.3 -41.3 51.2 61.0 5.9 265 265 A K H X S+ 0 0 88 -4,-1.9 4,-2.1 -5,-0.2 -1,-0.2 0.933 113.4 46.5 -67.8 -40.3 51.6 64.0 8.2 266 266 A I H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.922 116.3 41.5 -69.8 -49.4 49.2 62.6 10.8 267 267 A F H X S+ 0 0 0 -4,-2.7 4,-2.8 2,-0.2 -1,-0.2 0.860 113.5 53.0 -70.8 -33.3 50.6 59.0 10.9 268 268 A Y H X S+ 0 0 33 -4,-2.4 4,-2.5 -5,-0.3 5,-0.2 0.947 112.4 46.5 -64.7 -44.1 54.3 60.2 10.8 269 269 A R H X>S+ 0 0 80 -4,-2.1 4,-2.7 -5,-0.3 5,-0.5 0.948 114.1 47.2 -58.5 -51.8 53.5 62.5 13.8 270 270 A A H X>S+ 0 0 0 -4,-2.5 5,-2.9 1,-0.2 4,-1.8 0.927 114.3 47.7 -53.2 -48.6 51.7 59.6 15.6 271 271 A L H <5S+ 0 0 1 -4,-2.8 -118,-0.5 1,-0.2 -1,-0.2 0.858 121.1 34.9 -59.4 -46.8 54.5 57.2 14.8 272 272 A T H <5S+ 0 0 36 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.654 130.3 24.8 -92.8 -15.3 57.3 59.6 16.0 273 273 A Q H <5S+ 0 0 118 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.623 128.7 20.2-123.5 -19.1 55.6 61.5 18.9 274 274 A Y T < - 0 0 58 -122,-0.1 3,-1.8 -2,-0.0 -120,-0.1 -0.760 39.8 -91.6-131.0 173.0 54.9 53.2 22.0 277 277 A P T 3 S+ 0 0 62 0, 0.0 -121,-3.0 0, 0.0 -123,-0.1 0.823 125.9 41.5 -56.4 -33.7 56.1 49.6 21.8 278 278 A T T 3 S+ 0 0 96 -123,-0.2 -117,-0.1 -125,-0.1 2,-0.1 0.151 81.6 140.8-100.4 16.8 52.9 48.4 23.4 279 279 A S < - 0 0 6 -3,-1.8 -115,-0.2 -126,-0.1 2,-0.1 -0.419 33.1-160.2 -70.3 139.2 50.4 50.6 21.7 280 280 A N > - 0 0 63 -2,-0.1 4,-2.8 -120,-0.1 5,-0.2 -0.396 37.3 -88.8-103.5-177.8 47.0 48.9 20.7 281 281 A F H > S+ 0 0 1 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.888 127.7 50.6 -62.8 -41.7 44.4 50.0 18.1 282 282 A S H > S+ 0 0 62 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.904 111.6 49.5 -60.6 -39.0 42.5 52.2 20.6 283 283 A Q H > S+ 0 0 91 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.890 108.6 53.5 -69.6 -37.5 45.8 53.9 21.5 284 284 A L H X S+ 0 0 0 -4,-2.8 4,-3.0 2,-0.2 5,-0.3 0.933 105.4 53.4 -57.3 -47.3 46.6 54.4 17.8 285 285 A R H X S+ 0 0 36 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.942 112.1 44.4 -54.1 -48.8 43.2 56.1 17.3 286 286 A A H X S+ 0 0 61 -4,-1.9 4,-2.8 1,-0.2 -1,-0.2 0.875 112.6 51.6 -68.5 -35.5 44.0 58.5 20.2 287 287 A A H X S+ 0 0 7 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.915 112.8 45.8 -64.4 -40.8 47.6 59.1 18.9 288 288 A A H X S+ 0 0 0 -4,-3.0 4,-2.3 2,-0.2 -2,-0.2 0.889 112.9 50.1 -70.2 -39.4 46.2 59.8 15.4 289 289 A V H X S+ 0 0 26 -4,-2.8 4,-2.2 -5,-0.3 -2,-0.2 0.941 113.2 45.9 -61.8 -45.3 43.5 62.1 16.9 290 290 A Q H X S+ 0 0 82 -4,-2.8 4,-2.8 1,-0.2 -2,-0.2 0.914 112.8 51.0 -65.5 -35.9 46.2 64.0 19.0 291 291 A S H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.915 111.1 46.5 -67.5 -46.3 48.5 64.3 15.9 292 292 A A H X>S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 5,-0.6 0.873 112.0 53.1 -65.6 -34.9 45.7 65.7 13.7 293 293 A T H X5S+ 0 0 34 -4,-2.2 4,-1.7 3,-0.2 -2,-0.2 0.916 109.2 48.1 -64.6 -45.4 44.8 68.1 16.5 294 294 A D H <5S+ 0 0 62 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.918 120.0 38.5 -57.5 -48.1 48.4 69.3 16.8 295 295 A L H <5S+ 0 0 60 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.856 136.2 10.7 -77.6 -35.3 48.7 69.8 13.0 296 296 A Y H <5S- 0 0 70 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.2 0.499 107.5-102.9-128.8 -11.3 45.3 71.2 12.0 297 297 A G ><< - 0 0 27 -4,-1.7 3,-2.0 -5,-0.6 6,-0.4 0.115 32.9 -75.8 100.1 154.9 43.5 72.0 15.3 298 298 A S T 3 S+ 0 0 95 1,-0.3 -1,-0.1 -5,-0.1 -5,-0.1 0.787 127.3 39.3 -51.9 -40.3 40.8 70.7 17.6 299 299 A T T 3 S+ 0 0 141 -3,-0.1 -1,-0.3 -6,-0.1 -2,-0.1 0.246 89.8 128.0-100.2 12.8 37.9 71.7 15.4 300 300 A S <> - 0 0 15 -3,-2.0 4,-1.6 1,-0.1 5,-0.1 -0.184 69.1-123.7 -71.9 158.2 39.4 70.8 12.0 301 301 A Q H > S+ 0 0 99 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.841 112.4 63.2 -57.6 -32.6 37.9 68.6 9.3 302 302 A E H > S+ 0 0 23 1,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.912 103.5 44.7 -71.5 -41.3 41.1 66.6 9.6 303 303 A V H > S+ 0 0 4 -6,-0.4 4,-1.9 -11,-0.2 -1,-0.3 0.882 113.2 50.6 -64.5 -41.7 40.4 65.6 13.2 304 304 A A H X S+ 0 0 44 -4,-1.6 4,-2.4 1,-0.2 -2,-0.2 0.942 110.0 51.0 -62.8 -44.5 36.8 64.8 12.5 305 305 A S H X S+ 0 0 0 -4,-3.0 4,-2.1 1,-0.2 -2,-0.2 0.836 106.5 53.3 -64.3 -36.2 37.8 62.6 9.5 306 306 A V H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.919 112.1 47.3 -59.0 -45.5 40.4 60.6 11.7 307 307 A K H X S+ 0 0 83 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.906 112.7 46.7 -64.7 -44.1 37.5 59.9 14.2 308 308 A Q H X S+ 0 0 75 -4,-2.4 4,-2.9 2,-0.2 -1,-0.2 0.895 110.8 53.5 -64.2 -40.4 35.1 58.9 11.5 309 309 A A H X S+ 0 0 0 -4,-2.1 4,-1.4 2,-0.2 -2,-0.2 0.956 112.1 43.5 -62.7 -50.2 37.7 56.6 9.8 310 310 A F H <>S+ 0 0 0 -4,-2.4 5,-2.6 2,-0.2 4,-0.4 0.920 113.0 53.0 -62.7 -38.5 38.4 54.8 13.1 311 311 A D H ><5S+ 0 0 51 -4,-2.5 3,-1.7 1,-0.2 -2,-0.2 0.942 105.0 56.7 -55.6 -45.4 34.6 54.6 13.8 312 312 A A H 3<5S+ 0 0 1 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.827 109.3 43.4 -59.8 -30.2 34.1 53.1 10.4 313 313 A V T 3<5S- 0 0 0 -4,-1.4 -96,-3.2 -3,-0.3 -1,-0.3 0.308 118.5-109.5-101.0 4.4 36.6 50.2 11.2 314 314 A G T < 5S+ 0 0 10 -3,-1.7 2,-0.7 -4,-0.4 -3,-0.2 0.694 71.9 138.9 82.4 22.0 35.1 49.7 14.6 315 315 A V < 0 0 3 -5,-2.6 -1,-0.2 -6,-0.2 -2,-0.1 -0.884 360.0 360.0-103.0 112.2 38.0 51.0 16.6 316 316 A K 0 0 150 -2,-0.7 -1,-0.2 -3,-0.1 -5,-0.1 0.588 360.0 360.0 -95.3 360.0 37.0 53.2 19.5 317 ! 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 1318 A V 0 0 5 0, 0.0 -204,-0.1 0, 0.0 -206,-0.1 0.000 360.0 360.0 360.0 -24.4 56.6 41.9 3.3 319 1319 A K 0 0 106 -206,-0.4 -206,-0.1 0, 0.0 -93,-0.0 -0.888 360.0 360.0-136.2 360.0 54.3 38.8 4.3