==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 17-NOV-93 1THL . COMPND 2 MOLECULE: THERMOLYSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS THERMOPROTEOLYTICUS; . AUTHOR D.R.HOLLAND,B.W.MATTHEWS . 317 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12498.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 223 70.3 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 . 17 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 106 33.4 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 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 82 0, 0.0 2,-0.5 0, 0.0 23,-0.0 0.000 360.0 360.0 360.0 158.1 8.3 52.2 -0.0 2 2 A T + 0 0 133 23,-0.0 2,-0.3 21,-0.0 21,-0.0 -0.875 360.0 107.1 -98.8 124.5 6.3 55.5 0.5 3 3 A G - 0 0 42 -2,-0.5 2,-0.5 22,-0.0 22,-0.2 -0.868 68.0 -53.9-167.8-159.2 6.5 56.6 4.2 4 4 A T E -A 24 0A 74 20,-2.2 20,-3.7 -2,-0.3 2,-0.2 -0.840 50.7-120.7-104.0 127.6 7.8 59.1 6.7 5 5 A S E +A 23 0A 71 -2,-0.5 2,-0.2 18,-0.2 18,-0.2 -0.513 45.5 157.4 -69.6 133.5 11.6 59.7 6.9 6 6 A T E -A 22 0A 36 16,-2.4 16,-2.1 -2,-0.2 2,-0.4 -0.776 37.8-115.0-145.0 179.6 13.2 58.8 10.3 7 7 A V E -A 21 0A 82 -2,-0.2 14,-0.2 14,-0.2 2,-0.2 -0.991 27.1-176.0-128.6 125.9 16.4 57.9 12.1 8 8 A G E -A 20 0A 3 12,-2.8 12,-2.4 -2,-0.4 2,-0.4 -0.510 16.4-133.0-109.1 178.2 17.1 54.6 13.8 9 9 A V E +Ab 19 61A 28 51,-1.6 53,-2.6 10,-0.3 2,-0.3 -0.979 32.1 147.6-133.4 142.6 20.0 53.4 15.8 10 10 A G E -Ab 18 62A 0 8,-2.4 8,-2.5 -2,-0.4 2,-0.4 -0.926 40.7-101.0-157.2-171.6 21.9 50.1 15.6 11 11 A R E -A 17 0A 103 51,-2.0 6,-0.2 -2,-0.3 60,-0.2 -0.969 31.9-137.4-125.5 133.6 25.2 48.4 16.0 12 12 A G > - 0 0 4 4,-2.8 3,-1.8 -2,-0.4 56,-0.2 -0.113 38.0 -83.7 -82.3-172.7 27.6 47.4 13.2 13 13 A V T 3 S+ 0 0 30 55,-0.5 55,-0.1 1,-0.3 122,-0.1 0.843 129.0 49.7 -56.3 -39.7 29.7 44.3 12.5 14 14 A L T 3 S- 0 0 76 54,-0.1 -1,-0.3 2,-0.1 -2,-0.0 0.363 121.8-103.4 -88.3 5.8 32.4 45.5 14.7 15 15 A G S < S+ 0 0 45 -3,-1.8 2,-0.3 1,-0.3 -2,-0.1 0.534 74.6 137.7 91.9 -1.3 30.2 46.4 17.6 16 16 A D - 0 0 60 1,-0.0 -4,-2.8 -5,-0.0 -1,-0.3 -0.661 51.5-124.3 -81.9 142.5 30.1 50.2 17.1 17 17 A Q E +A 11 0A 130 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.2 -0.576 35.8 169.3 -88.9 135.6 26.8 52.1 17.5 18 18 A K E -A 10 0A 16 -8,-2.5 -8,-2.4 -2,-0.2 2,-0.3 -0.979 34.1-121.1-140.6 159.5 25.6 54.3 14.6 19 19 A N E -A 9 0A 109 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.3 -0.768 32.1-164.9 -95.3 143.9 22.5 56.2 13.6 20 20 A I E -A 8 0A 3 -12,-2.4 -12,-2.8 -2,-0.3 2,-0.4 -0.985 23.4-113.3-129.6 149.6 21.0 55.1 10.2 21 21 A N E +A 7 0A 43 -2,-0.3 -14,-0.2 -14,-0.2 2,-0.2 -0.629 45.2 172.0 -81.5 121.4 18.4 56.8 7.9 22 22 A T E -A 6 0A 2 -16,-2.1 -16,-2.4 -2,-0.4 2,-0.4 -0.661 27.7-130.2-125.6 172.6 15.1 54.8 7.8 23 23 A T E -AC 5 29A 0 6,-1.7 6,-2.8 -18,-0.2 2,-0.5 -0.995 17.4-142.0-128.4 134.9 11.6 55.1 6.5 24 24 A Y E +AC 4 28A 90 -20,-3.7 -20,-2.2 -2,-0.4 4,-0.2 -0.797 41.0 136.6-105.1 123.5 8.5 54.5 8.4 25 25 A S S S- 0 0 49 2,-2.8 2,-2.2 -2,-0.5 -23,-0.0 -0.547 94.2 -50.0-159.8 81.3 5.4 52.8 6.9 26 26 A T S S+ 0 0 117 -2,-0.1 2,-0.3 32,-0.0 -2,-0.1 -0.366 140.0 37.5 75.6 -58.5 3.9 50.2 9.5 27 27 A Y S S- 0 0 118 -2,-2.2 -2,-2.8 32,-0.0 2,-0.6 -0.724 95.2-111.6-103.6 169.8 7.5 48.8 9.7 28 28 A Y E -CD 24 57A 54 29,-3.1 29,-2.5 -2,-0.3 2,-0.3 -0.906 39.3-159.2-100.1 122.1 10.7 50.7 9.7 29 29 A Y E -CD 23 56A 45 -6,-2.8 2,-2.1 -2,-0.6 -6,-1.7 -0.812 28.6-115.4-101.9 153.1 12.6 50.0 6.5 30 30 A L S S+ 0 0 0 25,-2.3 11,-2.2 -2,-0.3 2,-0.4 -0.520 72.4 127.7 -79.9 77.2 16.3 50.4 5.6 31 31 A Q E -E 40 0B 8 -2,-2.1 2,-0.8 9,-0.2 9,-0.2 -0.974 45.2-158.8-137.0 113.1 15.5 53.1 3.0 32 32 A D E +E 39 0B 1 7,-3.0 7,-1.5 -2,-0.4 3,-0.5 -0.871 11.2 179.9-101.5 110.6 17.4 56.4 3.2 33 33 A N + 0 0 60 -2,-0.8 -1,-0.1 -11,-0.3 5,-0.1 0.531 67.3 76.9 -88.6 -0.3 15.5 59.1 1.5 34 34 A T S S+ 0 0 89 1,-0.1 2,-0.5 5,-0.1 -1,-0.2 0.567 84.3 69.0 -85.1 -7.0 18.1 61.9 2.1 35 35 A R S > S- 0 0 46 -3,-0.5 3,-2.5 4,-0.1 -1,-0.1 -0.920 110.2 -68.8-122.3 107.3 20.6 60.8 -0.5 36 36 A G T 3 S- 0 0 26 -2,-0.5 62,-0.1 1,-0.3 3,-0.1 -0.205 112.2 -17.7 51.4-135.6 19.7 61.1 -4.2 37 37 A D T 3 S- 0 0 110 60,-1.8 -1,-0.3 1,-0.3 62,-0.2 0.273 120.7 -77.5 -84.8 13.1 16.9 58.7 -5.2 38 38 A G < - 0 0 2 -3,-2.5 62,-2.1 60,-0.2 2,-0.4 -0.111 27.9-111.4 115.7 150.1 17.6 56.6 -2.1 39 39 A I E -Ef 32 100B 0 -7,-1.5 -7,-3.0 60,-0.2 2,-0.4 -0.995 36.6-171.4-116.8 128.9 19.8 54.1 -0.5 40 40 A F E -Ef 31 101B 23 60,-2.8 62,-2.0 -2,-0.4 2,-0.4 -0.975 9.6-162.1-128.1 132.1 18.0 50.7 -0.0 41 41 A T E - f 0 102B 0 -11,-2.2 14,-2.9 -2,-0.4 -11,-0.3 -0.955 11.6-163.9-120.1 131.5 19.2 47.6 1.9 42 42 A Y E -Gf 54 103B 29 60,-2.8 62,-2.1 -2,-0.4 2,-0.6 -0.780 20.2-128.6-117.4 151.7 17.8 44.1 1.4 43 43 A D E -Gf 53 104B 21 10,-3.1 10,-2.0 -2,-0.3 62,-0.2 -0.894 14.4-173.4 -96.1 116.7 17.8 40.8 3.3 44 44 A A > - 0 0 4 60,-2.5 3,-2.1 -2,-0.6 5,-0.2 0.561 29.6-142.3 -85.1 -5.6 18.9 38.0 1.0 45 45 A K T 3 - 0 0 107 1,-0.3 61,-0.1 59,-0.3 60,-0.1 0.796 63.8 -58.6 55.9 33.6 18.1 35.4 3.9 46 46 A Y T 3 S+ 0 0 103 59,-2.2 -1,-0.3 1,-0.2 2,-0.2 0.593 114.5 114.3 68.9 14.6 21.0 33.2 3.2 47 47 A R S < S- 0 0 178 -3,-2.1 60,-1.8 58,-0.3 -1,-0.2 -0.568 70.2-130.0-104.2 175.8 19.8 32.6 -0.4 48 48 A T S S+ 0 0 86 -2,-0.2 2,-0.4 58,-0.2 -3,-0.1 0.398 72.0 112.0-108.6 4.6 21.4 33.6 -3.8 49 49 A T S S- 0 0 102 -5,-0.2 -2,-0.2 2,-0.1 58,-0.1 -0.655 71.0-102.9 -82.5 125.3 18.1 35.1 -5.2 50 50 A L S S- 0 0 52 -2,-0.4 -2,-0.1 1,-0.2 -6,-0.0 -0.848 81.2 -1.9-115.1 144.4 18.6 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 -0.985 79.9-166.8 -87.2 -12.8 17.8 41.4 -4.2 52 52 A G - 0 0 34 -8,-0.1 2,-0.4 -10,-0.1 -8,-0.2 -0.789 47.6 -24.6 100.5-152.5 15.8 39.6 -1.6 53 53 A S E -G 43 0B 52 -10,-2.0 -10,-3.1 -2,-0.3 -8,-0.1 -0.833 67.6-107.2-100.7 136.2 13.3 41.6 0.8 54 54 A L E -G 42 0B 34 -2,-0.4 2,-0.4 -12,-0.2 -12,-0.3 -0.329 54.6 -94.5 -58.2 132.0 13.7 45.3 1.6 55 55 A W - 0 0 11 -14,-2.9 -25,-2.3 -25,-0.3 2,-0.4 -0.399 50.5-173.6 -64.7 120.9 14.9 45.3 5.1 56 56 A A E +D 29 0A 45 -2,-0.4 2,-0.3 -27,-0.2 -27,-0.2 -0.873 6.5 179.3-113.0 138.1 12.0 45.7 7.6 57 57 A D E -D 28 0A 21 -29,-2.5 -29,-3.1 -2,-0.4 3,-0.1 -0.999 24.7-140.7-139.8 144.5 12.2 46.1 11.3 58 58 A A S S+ 0 0 75 -2,-0.3 -1,-0.1 -31,-0.2 -29,-0.1 0.809 94.5 20.4 -75.2 -30.6 9.5 46.6 14.0 59 59 A D S S- 0 0 88 2,-0.3 -1,-0.2 -31,-0.1 3,-0.1 0.387 95.2-113.3-126.3 6.6 10.9 49.1 16.3 60 60 A N S S+ 0 0 20 1,-0.2 -51,-1.6 -32,-0.2 2,-0.4 0.658 81.8 114.3 69.1 16.6 13.8 51.1 14.5 61 61 A Q E -b 9 0A 93 -53,-0.2 -2,-0.3 -51,-0.0 2,-0.3 -0.985 46.0-170.0-120.2 123.9 16.4 49.6 16.8 62 62 A F E +b 10 0A 0 -53,-2.6 -51,-2.0 -2,-0.4 9,-0.1 -0.538 40.7 125.2-121.2 66.6 19.0 47.3 15.0 63 63 A F + 0 0 67 -2,-0.3 2,-0.2 -53,-0.2 -1,-0.1 0.369 38.8 107.3-103.5 -3.1 20.9 45.7 17.8 64 64 A A S >> S- 0 0 51 -3,-0.2 3,-1.3 1,-0.1 4,-1.0 -0.494 76.5-121.9 -73.7 149.5 20.4 42.1 16.9 65 65 A S G >4 S+ 0 0 115 1,-0.3 3,-0.8 2,-0.2 -1,-0.1 0.900 113.9 56.7 -66.0 -28.4 23.4 40.3 15.5 66 66 A Y G 34 S+ 0 0 74 1,-0.2 4,-0.4 2,-0.1 -1,-0.3 0.768 104.0 57.5 -64.8 -24.8 21.6 39.3 12.3 67 67 A D G X> S+ 0 0 17 -3,-1.3 4,-2.2 1,-0.2 3,-0.7 0.739 84.5 85.5 -72.9 -31.2 21.0 43.2 11.9 68 68 A A H S+ 0 0 4 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.844 113.7 50.6 -62.8 -35.0 25.7 43.5 8.3 70 70 A A H <> S+ 0 0 0 -3,-0.7 4,-2.2 -4,-0.4 5,-0.3 0.903 106.7 53.3 -72.6 -39.6 22.7 45.4 7.2 71 71 A V H X S+ 0 0 0 -4,-2.2 4,-2.7 -60,-0.2 5,-0.2 0.951 114.8 41.8 -54.3 -53.8 23.4 48.4 9.5 72 72 A D H X S+ 0 0 0 -4,-2.1 4,-2.8 2,-0.2 5,-0.3 0.897 111.7 52.2 -64.9 -42.1 26.9 48.7 8.0 73 73 A A H X S+ 0 0 0 -4,-2.3 4,-1.5 -5,-0.2 -1,-0.2 0.917 116.4 42.8 -59.0 -43.0 26.0 48.1 4.4 74 74 A H H X S+ 0 0 3 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.958 118.2 43.5 -67.7 -48.9 23.4 50.9 4.7 75 75 A Y H X S+ 0 0 93 -4,-2.7 4,-2.0 -5,-0.3 -2,-0.2 0.928 115.1 47.7 -64.6 -45.1 25.5 53.3 6.7 76 76 A Y H X S+ 0 0 7 -4,-2.8 4,-2.2 1,-0.3 -1,-0.2 0.820 107.0 56.2 -73.6 -28.2 28.7 52.9 4.6 77 77 A A H X S+ 0 0 0 -4,-1.5 4,-2.4 -5,-0.3 -1,-0.3 0.923 107.3 51.3 -67.8 -37.8 26.9 53.3 1.3 78 78 A G H X S+ 0 0 0 -4,-1.6 4,-2.9 2,-0.2 -2,-0.2 0.934 110.4 47.4 -58.1 -53.7 25.7 56.7 2.7 79 79 A V H X S+ 0 0 16 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.883 112.2 49.9 -53.1 -47.1 29.3 57.8 3.6 80 80 A T H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 5,-0.2 0.905 110.0 50.7 -60.0 -42.1 30.5 56.7 0.2 81 81 A Y H X S+ 0 0 15 -4,-2.4 4,-2.0 1,-0.2 5,-0.3 0.939 112.1 49.4 -60.4 -43.1 27.6 58.7 -1.5 82 82 A D H X S+ 0 0 39 -4,-2.9 4,-2.8 1,-0.2 5,-0.4 0.885 105.8 55.3 -64.0 -43.1 28.7 61.6 0.6 83 83 A Y H X>S+ 0 0 10 -4,-2.3 4,-2.4 1,-0.2 5,-0.7 0.952 110.9 43.9 -53.3 -55.1 32.3 61.3 -0.4 84 84 A Y H X5S+ 0 0 1 -4,-2.0 6,-3.3 3,-0.2 4,-0.8 0.855 117.3 45.8 -60.8 -36.9 31.5 61.4 -4.1 85 85 A K H X5S+ 0 0 76 -4,-2.0 4,-1.0 4,-0.3 -1,-0.2 0.952 119.9 35.3 -75.1 -48.0 29.1 64.2 -3.8 86 86 A N H <5S+ 0 0 88 -4,-2.8 -2,-0.2 -5,-0.3 -3,-0.2 0.798 128.1 34.2 -76.0 -37.7 31.1 66.5 -1.5 87 87 A V H <5S+ 0 0 58 -4,-2.4 -3,-0.2 -5,-0.4 -1,-0.2 0.817 134.8 18.5 -85.0 -45.5 34.5 65.8 -2.8 88 88 A H H < - 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0 0 83 -2,-0.4 -9,-0.3 -9,-0.2 2,-0.1 -0.872 28.5-124.0 -87.5 134.7 57.9 63.5 -3.7 257 257 A G - 0 0 29 -2,-0.5 -12,-0.3 -11,-0.4 -11,-0.2 -0.407 22.5-171.2 -79.7 138.6 54.4 63.0 -2.3 258 258 A I - 0 0 26 -14,-2.9 4,-0.3 1,-0.2 -13,-0.2 0.341 48.2-112.0-111.3 -2.5 51.7 65.5 -3.2 259 259 A G > - 0 0 23 -14,-1.8 4,-1.6 -15,-0.6 -1,-0.2 -0.025 28.5 -74.0 96.2 168.4 49.1 64.1 -0.7 260 260 A R H > S+ 0 0 98 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.795 118.3 57.1 -80.3 -21.9 45.9 62.3 -0.9 261 261 A D H > S+ 0 0 120 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.913 111.5 44.9 -65.1 -51.1 43.4 65.0 -2.0 262 262 A K H > S+ 0 0 73 -4,-0.3 4,-2.6 2,-0.2 5,-0.2 0.855 110.4 55.2 -60.3 -41.9 45.4 65.7 -5.1 263 263 A L H X S+ 0 0 0 -4,-1.6 4,-2.6 2,-0.2 5,-0.3 0.969 109.2 48.9 -55.5 -50.0 45.8 61.9 -5.7 264 264 A G H X S+ 0 0 3 -4,-2.6 4,-2.3 1,-0.2 5,-0.3 0.911 113.4 47.6 -57.8 -45.3 41.9 61.7 -5.6 265 265 A K H X S+ 0 0 76 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.922 110.0 46.3 -75.0 -31.0 41.5 64.4 -7.9 266 266 A I H X S+ 0 0 0 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.894 117.1 46.7 -65.6 -44.0 44.0 63.5 -10.6 267 267 A F H X S+ 0 0 0 -4,-2.6 4,-2.8 -5,-0.2 -2,-0.2 0.882 110.3 52.7 -65.8 -38.8 42.6 59.9 -10.6 268 268 A Y H X S+ 0 0 32 -4,-2.3 4,-2.2 -5,-0.3 5,-0.2 0.903 111.7 45.5 -61.6 -50.0 39.0 61.0 -10.7 269 269 A R H X>S+ 0 0 71 -4,-1.8 4,-2.7 -5,-0.3 5,-0.5 0.940 112.3 50.6 -61.2 -42.4 39.7 63.2 -13.7 270 270 A A H X>S+ 0 0 0 -4,-2.1 5,-2.6 1,-0.2 4,-2.3 0.960 114.3 47.2 -58.0 -46.5 41.7 60.4 -15.5 271 271 A L H <5S+ 0 0 1 -4,-2.8 -118,-0.2 1,-0.2 -1,-0.2 0.871 119.3 36.9 -56.9 -47.3 38.7 58.1 -14.8 272 272 A T H <5S+ 0 0 41 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.715 131.4 21.8 -89.2 -24.5 36.0 60.5 -15.9 273 273 A Q H <5S+ 0 0 115 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.634 127.8 24.5-111.1 -27.7 37.7 62.2 -18.9 274 274 A Y T < - 0 0 68 -2,-0.1 3,-1.6 -122,-0.1 -120,-0.1 -0.778 39.8 -92.7-129.8 169.0 38.4 54.1 -22.1 277 277 A P T 3 S+ 0 0 65 0, 0.0 -121,-2.8 0, 0.0 -123,-0.1 0.816 124.1 40.0 -54.0 -33.2 37.2 50.5 -21.9 278 278 A T T 3 S+ 0 0 97 -123,-0.2 -117,-0.1 -125,-0.1 -118,-0.1 0.221 80.3 141.4-104.8 16.9 40.4 49.2 -23.3 279 279 A S < - 0 0 5 -3,-1.6 -115,-0.2 -126,-0.1 2,-0.1 -0.321 33.1-158.1 -59.7 142.3 43.1 51.4 -21.7 280 280 A N > - 0 0 61 -119,-0.1 4,-2.2 -120,-0.1 5,-0.2 -0.399 36.5 -86.9-110.3-179.4 46.3 49.7 -20.6 281 281 A F H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.903 127.4 51.9 -57.0 -43.8 48.9 50.8 -18.0 282 282 A S H > S+ 0 0 46 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.910 110.1 48.8 -66.1 -33.7 50.8 52.9 -20.4 283 283 A Q H > S+ 0 0 88 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.887 107.0 56.2 -71.6 -32.7 47.6 54.7 -21.4 284 284 A L H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 5,-0.2 0.906 105.1 53.3 -62.4 -38.5 46.7 55.2 -17.6 285 285 A R H X S+ 0 0 32 -4,-2.4 4,-2.2 2,-0.2 5,-0.2 0.949 110.1 46.1 -60.3 -46.8 50.1 56.9 -17.3 286 286 A A H X S+ 0 0 53 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.913 114.1 50.6 -59.2 -41.3 49.3 59.3 -20.2 287 287 A A H X S+ 0 0 7 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.893 111.4 45.8 -63.5 -46.0 45.8 59.9 -18.7 288 288 A A H X S+ 0 0 0 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.901 113.4 48.6 -68.6 -39.7 47.2 60.7 -15.2 289 289 A V H X S+ 0 0 32 -4,-2.2 4,-2.3 -5,-0.2 -2,-0.2 0.909 113.3 49.1 -65.2 -42.3 49.9 63.0 -16.5 290 290 A Q H X S+ 0 0 86 -4,-2.3 4,-2.4 -5,-0.2 -2,-0.2 0.916 110.9 48.6 -65.4 -42.0 47.3 64.8 -18.6 291 291 A S H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.876 112.6 47.8 -59.8 -48.2 44.8 65.2 -15.7 292 292 A A H X S+ 0 0 0 -4,-2.0 4,-3.1 2,-0.2 5,-0.3 0.887 113.0 51.0 -62.0 -37.9 47.6 66.6 -13.4 293 293 A T H X S+ 0 0 35 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.926 110.5 47.6 -61.4 -49.2 48.6 69.0 -16.3 294 294 A D H < S+ 0 0 61 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.845 121.1 39.3 -56.1 -44.7 45.0 70.1 -16.7 295 295 A L H < S+ 0 0 70 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.845 133.2 12.0 -78.8 -45.4 44.8 70.6 -13.1 296 296 A Y H < S- 0 0 65 -4,-3.1 -3,-0.2 -5,-0.1 -2,-0.2 0.315 106.3 -94.8-121.9 4.4 48.1 72.1 -12.0 297 297 A G >< - 0 0 31 -4,-2.3 3,-1.9 -5,-0.3 6,-0.4 0.286 35.6 -87.3 88.6 139.2 50.0 73.1 -15.0 298 298 A S T 3 S+ 0 0 83 1,-0.3 -1,-0.1 -5,-0.2 -5,-0.1 0.719 123.6 46.8 -48.8 -38.2 52.6 71.4 -17.1 299 299 A T T 3 S+ 0 0 141 -3,-0.1 -1,-0.3 -6,-0.1 2,-0.1 0.021 89.7 128.2-100.7 20.6 55.7 72.5 -15.1 300 300 A S <> - 0 0 17 -3,-1.9 4,-1.7 1,-0.1 -3,-0.1 -0.418 69.7-127.2 -78.8 161.7 54.1 71.6 -11.8 301 301 A Q H > S+ 0 0 97 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.822 111.5 60.5 -64.4 -39.4 55.4 69.4 -9.0 302 302 A E H > S+ 0 0 28 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.939 106.5 44.3 -59.7 -45.5 52.1 67.4 -9.3 303 303 A V H > S+ 0 0 4 -6,-0.4 4,-2.2 -11,-0.2 -1,-0.2 0.920 112.6 52.4 -65.9 -41.2 52.9 66.5 -12.8 304 304 A A H X S+ 0 0 33 -4,-1.7 4,-2.1 1,-0.2 -2,-0.2 0.904 108.9 49.7 -60.3 -46.3 56.5 65.7 -11.9 305 305 A S H X S+ 0 0 0 -4,-2.9 4,-2.0 2,-0.2 -2,-0.2 0.841 107.8 54.6 -61.6 -37.7 55.3 63.4 -9.0 306 306 A V H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 5,-0.2 0.950 110.7 44.8 -60.9 -47.9 53.0 61.6 -11.3 307 307 A K H X S+ 0 0 80 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.929 113.3 50.0 -60.2 -48.5 55.8 60.9 -13.8 308 308 A Q H X S+ 0 0 73 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.867 109.5 52.2 -57.3 -46.1 58.3 59.7 -11.1 309 309 A A H X S+ 0 0 0 -4,-2.0 4,-1.5 2,-0.2 -1,-0.2 0.917 111.9 44.2 -59.6 -49.3 55.7 57.4 -9.6 310 310 A F H <>S+ 0 0 0 -4,-2.1 5,-2.2 1,-0.2 4,-0.5 0.904 114.2 49.3 -66.4 -41.3 55.0 55.6 -12.9 311 311 A D H ><5S+ 0 0 60 -4,-2.7 3,-1.2 -5,-0.2 -2,-0.2 0.911 105.6 60.5 -58.5 -39.6 58.7 55.5 -13.7 312 312 A A H 3<5S+ 0 0 1 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.890 110.7 39.8 -57.2 -34.9 59.2 54.0 -10.1 313 313 A V T 3<5S- 0 0 0 -4,-1.5 -96,-3.1 2,-0.1 -1,-0.3 0.355 120.2-105.2 -97.3 6.6 57.0 51.0 -11.0 314 314 A G T < 5 + 0 0 21 -3,-1.2 2,-0.7 -4,-0.5 -3,-0.2 0.642 67.9 147.6 83.5 14.3 58.2 50.5 -14.4 315 315 A V < 0 0 3 -5,-2.2 -1,-0.2 -6,-0.2 -2,-0.1 -0.810 360.0 360.0 -93.9 105.3 55.2 52.0 -16.4 316 316 A K 0 0 142 -2,-0.7 -5,-0.1 -3,-0.1 -34,-0.1 -0.725 360.0 360.0 71.3 360.0 56.8 53.5 -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 0.0 318 320 A X 0 0 154 0, 0.0 -204,-0.1 0, 0.0 -206,-0.1 0.000 360.0 360.0 360.0 360.0 35.9 41.2 -5.5