==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 29-APR-10 3MSN . COMPND 2 MOLECULE: THERMOLYSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS THERMOPROTEOLYTICUS; . AUTHOR J.BEHNEN,A.HEINE,G.KLEBE . 316 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12525.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 221 69.9 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 . 26 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 105 33.2 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 79 0, 0.0 2,-0.4 0, 0.0 28,-0.0 0.000 360.0 360.0 360.0 165.6 8.3 51.8 -0.4 2 2 A T + 0 0 134 21,-0.0 2,-0.3 23,-0.0 21,-0.0 -0.612 360.0 109.5 -78.1 130.6 6.2 54.9 0.4 3 3 A G - 0 0 39 -2,-0.4 2,-0.4 22,-0.0 22,-0.2 -0.961 66.0 -66.0-176.0-169.2 6.6 56.0 4.0 4 4 A T E -A 24 0A 88 20,-2.7 20,-3.2 -2,-0.3 2,-0.3 -0.836 46.6-114.8-107.1 145.4 8.0 58.6 6.3 5 5 A S E +A 23 0A 71 -2,-0.4 2,-0.2 18,-0.2 18,-0.2 -0.499 46.7 153.7 -75.6 134.1 11.7 59.2 6.8 6 6 A T E -A 22 0A 49 16,-2.3 16,-2.4 -2,-0.3 2,-0.4 -0.802 39.1-107.8-143.3-170.2 13.1 58.5 10.2 7 7 A V E -A 21 0A 78 -2,-0.2 14,-0.2 14,-0.2 2,-0.1 -0.983 26.6-169.4-135.2 123.1 16.3 57.5 11.9 8 8 A G E -A 20 0A 2 12,-3.4 12,-1.9 -2,-0.4 2,-0.3 -0.408 9.4-144.9 -97.7 174.1 17.2 54.2 13.4 9 9 A V E +Ab 19 61A 28 51,-1.5 53,-3.1 10,-0.3 2,-0.3 -0.989 30.4 132.5-143.0 146.6 20.1 53.1 15.5 10 10 A G E -Ab 18 62A 0 8,-1.9 8,-2.7 -2,-0.3 2,-0.4 -0.905 47.2 -86.8-168.2-169.1 22.1 49.9 15.7 11 11 A R E -A 17 0A 107 51,-1.6 6,-0.2 -2,-0.3 60,-0.2 -0.935 33.9-139.3-121.0 138.2 25.5 48.2 15.9 12 12 A G > - 0 0 5 4,-3.0 3,-1.8 -2,-0.4 56,-0.2 -0.145 42.3 -78.4 -88.0-168.6 27.6 47.2 12.9 13 13 A V T 3 S+ 0 0 29 55,-0.5 122,-0.1 1,-0.3 55,-0.1 0.804 130.5 51.3 -62.0 -28.9 29.7 44.1 12.3 14 14 A L T 3 S- 0 0 79 54,-0.1 -1,-0.3 121,-0.1 121,-0.0 0.411 121.8-102.8 -90.2 3.7 32.5 45.5 14.5 15 15 A G S < S+ 0 0 48 -3,-1.8 2,-0.3 1,-0.3 -2,-0.1 0.495 75.0 142.1 91.9 5.6 30.2 46.3 17.5 16 16 A D - 0 0 55 1,-0.0 -4,-3.0 -5,-0.0 2,-0.3 -0.583 48.5-126.6 -84.8 139.9 30.1 50.0 16.8 17 17 A Q E +A 11 0A 131 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.3 -0.674 37.1 160.9 -89.7 136.6 26.9 52.0 17.3 18 18 A K E -A 10 0A 16 -8,-2.7 -8,-1.9 -2,-0.3 2,-0.3 -0.997 36.8-116.8-151.9 152.3 25.6 54.1 14.5 19 19 A N E -A 9 0A 100 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.3 -0.701 29.9-164.4 -87.4 148.9 22.4 55.9 13.3 20 20 A I E -A 8 0A 4 -12,-1.9 -12,-3.4 -2,-0.3 2,-0.4 -0.984 22.6-117.0-133.5 143.1 20.9 54.8 10.0 21 21 A N E +A 7 0A 40 -2,-0.3 -14,-0.2 -14,-0.2 2,-0.2 -0.657 44.3 171.4 -80.3 127.9 18.3 56.5 7.8 22 22 A T E -A 6 0A 1 -16,-2.4 -16,-2.3 -2,-0.4 2,-0.4 -0.733 29.5-124.8-130.9 178.9 15.1 54.3 7.6 23 23 A T E -AC 5 29A 0 6,-2.1 6,-2.9 -2,-0.2 2,-0.5 -0.992 18.8-144.3-132.6 126.6 11.6 54.5 6.2 24 24 A Y E +AC 4 28A 92 -20,-3.2 -20,-2.7 -2,-0.4 4,-0.2 -0.822 38.9 139.0-100.3 132.7 8.5 53.9 8.3 25 25 A S S S- 0 0 48 2,-2.4 2,-2.3 -2,-0.5 -2,-0.0 -0.523 94.7 -49.8-167.5 82.7 5.4 52.2 6.9 26 26 A T S S+ 0 0 117 -2,-0.1 2,-0.3 32,-0.0 -2,-0.1 -0.381 140.4 37.7 70.5 -53.3 4.0 49.8 9.5 27 27 A Y S S- 0 0 118 -2,-2.3 -2,-2.4 -4,-0.1 2,-0.6 -0.732 94.7-110.2-107.9 166.6 7.6 48.4 9.8 28 28 A Y E -CD 24 57A 58 29,-3.3 29,-2.0 -2,-0.3 2,-0.3 -0.910 39.7-161.7 -97.2 114.9 10.9 50.4 9.7 29 29 A Y E -CD 23 56A 51 -6,-2.9 2,-2.1 -2,-0.6 -6,-2.1 -0.719 29.9-111.3 -99.3 149.3 12.7 49.5 6.5 30 30 A L S S+ 0 0 0 25,-2.0 11,-2.4 11,-0.4 2,-0.4 -0.565 72.3 130.5 -78.3 81.3 16.3 50.0 5.6 31 31 A Q E -E 40 0B 9 -2,-2.1 2,-0.6 9,-0.2 9,-0.2 -0.946 42.8-161.1-138.2 111.1 15.5 52.7 3.0 32 32 A D E +E 39 0B 2 7,-2.5 7,-1.7 -2,-0.4 3,-0.5 -0.878 10.9 178.5 -97.7 110.4 17.4 56.0 3.2 33 33 A N + 0 0 58 -2,-0.6 -1,-0.1 -11,-0.3 5,-0.1 0.413 67.2 80.1 -93.5 0.6 15.5 58.7 1.3 34 34 A T S S+ 0 0 83 1,-0.2 2,-0.5 5,-0.1 -1,-0.2 0.551 84.4 64.1 -88.3 -8.1 18.1 61.4 2.1 35 35 A R S > S- 0 0 48 -3,-0.5 3,-2.3 1,-0.1 -1,-0.2 -0.933 111.0 -68.1-123.8 113.3 20.5 60.4 -0.6 36 36 A G T 3 S- 0 0 30 -2,-0.5 3,-0.1 1,-0.3 62,-0.1 -0.115 111.1 -16.3 50.4-138.2 19.6 60.6 -4.2 37 37 A N T 3 S- 0 0 113 60,-1.5 -1,-0.3 1,-0.3 62,-0.2 0.223 119.7 -81.9 -85.2 19.4 16.9 58.2 -5.3 38 38 A G < - 0 0 2 -3,-2.3 62,-2.4 60,-0.1 2,-0.4 0.005 28.1-108.4 108.2 151.7 17.5 56.2 -2.2 39 39 A I E -Ef 32 100B 1 -7,-1.7 -7,-2.5 60,-0.2 2,-0.4 -0.980 35.4-170.3-118.6 131.0 19.6 53.6 -0.6 40 40 A F E -Ef 31 101B 23 60,-3.4 62,-2.1 -2,-0.4 2,-0.4 -0.989 7.8-164.7-134.6 123.1 18.0 50.3 -0.1 41 41 A T E - f 0 102B 0 -11,-2.4 14,-2.9 -2,-0.4 -11,-0.4 -0.936 11.6-169.2-118.2 133.5 19.2 47.3 1.9 42 42 A Y E -Gf 54 103B 25 60,-3.1 62,-2.6 -2,-0.4 2,-0.6 -0.833 22.2-125.1-123.2 155.5 17.8 43.8 1.6 43 43 A D E -Gf 53 104B 17 10,-2.5 10,-1.8 -2,-0.3 62,-0.2 -0.902 13.7-174.4-100.9 116.4 18.0 40.4 3.4 44 44 A A > - 0 0 4 60,-3.0 3,-2.1 -2,-0.6 5,-0.3 0.539 32.8-140.1 -87.6 -6.8 19.0 37.4 1.2 45 45 A K T 3 - 0 0 114 59,-0.4 61,-0.1 1,-0.3 60,-0.1 0.813 63.0 -56.4 56.7 39.1 18.3 35.1 4.1 46 46 A Y T 3 S+ 0 0 106 59,-2.5 -1,-0.3 1,-0.3 2,-0.2 0.533 118.3 103.4 70.9 11.7 21.2 32.9 3.5 47 47 A R S < S- 0 0 175 -3,-2.1 60,-1.9 58,-0.3 -1,-0.3 -0.490 73.3-126.0-113.9-177.5 20.1 32.1 -0.1 48 48 A T + 0 0 74 58,-0.2 2,-0.5 -2,-0.2 -3,-0.1 0.207 69.0 113.2-122.7 14.1 21.3 33.4 -3.5 49 49 A T S S- 0 0 95 -5,-0.3 -2,-0.2 2,-0.1 58,-0.1 -0.771 70.7-100.3 -83.1 129.8 18.1 34.7 -5.0 50 50 A L S S- 0 0 55 -2,-0.5 -2,-0.1 1,-0.2 71,-0.0 -0.874 81.1 -1.6-120.6 148.5 18.5 38.5 -5.3 51 51 A P S S- 0 0 44 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.996 80.1-165.7 -90.0 -4.4 17.8 41.0 -4.1 52 52 A G - 0 0 36 -8,-0.1 2,-0.4 51,-0.1 -8,-0.2 -0.720 47.4 -27.9 93.3-152.5 15.8 39.3 -1.4 53 53 A S E -G 43 0B 47 -10,-1.8 -10,-2.5 -2,-0.3 -8,-0.1 -0.862 66.8-103.1-108.2 136.5 13.4 41.2 0.8 54 54 A L E -G 42 0B 29 -2,-0.4 -12,-0.3 -12,-0.2 2,-0.2 -0.308 54.9 -97.1 -53.9 130.1 13.7 44.9 1.7 55 55 A W - 0 0 9 -14,-2.9 -25,-2.0 -25,-0.3 2,-0.4 -0.367 48.5-171.2 -63.2 122.7 15.0 44.9 5.3 56 56 A A E -D 29 0A 44 -27,-0.2 2,-0.4 -2,-0.2 -27,-0.2 -0.940 6.6-178.4-118.5 136.4 12.1 45.3 7.6 57 57 A D E -D 28 0A 22 -29,-2.0 -29,-3.3 -2,-0.4 5,-0.1 -0.998 23.7-141.8-140.7 142.3 12.3 45.9 11.4 58 58 A A S S+ 0 0 72 -2,-0.4 -1,-0.1 -31,-0.2 -29,-0.1 0.778 94.8 19.7 -77.4 -32.7 9.7 46.3 14.0 59 59 A D S S- 0 0 82 2,-0.3 -1,-0.2 -31,-0.1 3,-0.1 0.368 96.9-112.8-126.1 9.2 11.1 48.9 16.3 60 60 A N S S+ 0 0 16 1,-0.2 -51,-1.5 -32,-0.2 2,-0.5 0.673 80.9 120.7 67.9 15.8 13.8 50.8 14.3 61 61 A Q E -b 9 0A 104 -53,-0.2 2,-0.3 -33,-0.0 -2,-0.3 -0.963 41.6-173.2-114.1 123.8 16.4 49.3 16.6 62 62 A F E +b 10 0A 0 -53,-3.1 -51,-1.6 -2,-0.5 9,-0.1 -0.454 40.8 120.6-118.4 62.0 19.1 47.2 15.0 63 63 A F + 0 0 62 -2,-0.3 -1,-0.2 -53,-0.3 2,-0.1 0.338 41.4 112.4-105.4 4.0 21.2 45.7 17.7 64 64 A A S >> S- 0 0 50 -3,-0.2 4,-0.9 1,-0.1 3,-0.7 -0.462 76.1-121.8 -71.0 146.1 20.7 42.0 16.9 65 65 A S G >4 S+ 0 0 115 1,-0.3 3,-0.7 2,-0.2 -1,-0.1 0.872 116.1 55.2 -53.7 -39.6 23.7 40.0 15.6 66 66 A Y G 34 S+ 0 0 67 1,-0.2 4,-0.4 2,-0.1 -1,-0.3 0.796 104.7 55.0 -63.7 -29.4 21.6 39.2 12.5 67 67 A D G X> S+ 0 0 16 -3,-0.7 4,-2.2 1,-0.2 3,-0.6 0.774 86.3 83.6 -75.1 -23.8 21.1 43.0 12.0 68 68 A A H S+ 0 0 4 0, 0.0 4,-2.0 0, 0.0 -1,-0.3 0.886 113.3 49.4 -61.2 -32.1 25.7 43.2 8.4 70 70 A A H <> S+ 0 0 0 -3,-0.6 4,-2.6 -4,-0.4 5,-0.3 0.902 106.5 55.4 -69.2 -43.3 22.7 45.2 7.2 71 71 A V H X S+ 0 0 0 -4,-2.2 4,-2.8 -60,-0.2 5,-0.2 0.935 113.0 41.8 -53.0 -49.0 23.5 48.1 9.4 72 72 A D H X S+ 0 0 0 -4,-2.0 4,-3.0 2,-0.2 5,-0.4 0.888 112.5 51.8 -73.4 -37.5 27.0 48.4 7.9 73 73 A A H X S+ 0 0 0 -4,-2.0 4,-1.4 -5,-0.2 -2,-0.2 0.945 116.2 43.1 -61.3 -44.2 25.9 47.8 4.2 74 74 A H H X S+ 0 0 3 -4,-2.6 4,-1.7 2,-0.2 -2,-0.2 0.949 118.6 43.4 -64.0 -52.3 23.3 50.5 4.6 75 75 A Y H X S+ 0 0 98 -4,-2.8 4,-2.0 -5,-0.3 -2,-0.2 0.939 115.3 45.9 -64.8 -48.0 25.6 52.9 6.5 76 76 A Y H X S+ 0 0 22 -4,-3.0 4,-2.2 1,-0.2 -1,-0.2 0.772 106.7 59.4 -74.7 -21.5 28.7 52.5 4.4 77 77 A A H X S+ 0 0 0 -4,-1.4 4,-2.5 -5,-0.4 -1,-0.2 0.931 107.7 48.1 -62.8 -40.6 26.7 52.8 1.2 78 78 A G H X S+ 0 0 0 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.916 110.1 50.1 -64.8 -40.6 25.7 56.2 2.5 79 79 A V H X S+ 0 0 14 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.910 112.0 48.4 -61.8 -43.4 29.3 57.1 3.4 80 80 A T H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.888 109.8 52.3 -64.5 -37.9 30.4 56.1 -0.1 81 81 A Y H X S+ 0 0 15 -4,-2.5 4,-1.9 1,-0.2 11,-0.3 0.912 110.4 49.4 -58.9 -47.4 27.5 58.1 -1.6 82 82 A D H X>S+ 0 0 42 -4,-2.3 4,-2.7 1,-0.2 5,-0.5 0.889 107.5 54.2 -64.3 -38.5 28.7 61.1 0.4 83 83 A Y H X>S+ 0 0 9 -4,-2.4 4,-2.2 1,-0.2 5,-0.8 0.977 110.2 44.8 -62.8 -49.0 32.3 60.7 -0.8 84 84 A Y H X5S+ 0 0 4 -4,-2.2 6,-3.3 3,-0.2 4,-0.7 0.877 119.2 43.5 -65.7 -29.4 31.4 60.7 -4.5 85 85 A K H X5S+ 0 0 91 -4,-1.9 4,-1.4 4,-0.3 -2,-0.2 0.982 120.0 36.3 -79.0 -54.0 29.1 63.7 -4.1 86 86 A N H <5S+ 0 0 99 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.821 129.5 32.5 -69.1 -35.0 31.1 66.0 -1.8 87 87 A V H < - 0 0 27 0, 0.0 3,-2.6 0, 0.0 -8,-0.2 -0.118 59.9-142.1 -52.5 121.0 30.4 39.7 7.3 133 133 A L G > S+ 0 0 5 -10,-1.5 3,-1.7 1,-0.3 7,-0.2 0.674 93.2 72.9 -67.2 -16.7 32.1 41.6 4.5 134 134 A S G 3 S+ 0 0 0 -11,-0.4 -1,-0.3 1,-0.3 -58,-0.2 0.626 79.7 79.2 -73.5 -8.9 30.0 44.7 4.8 135 135 A G G < S+ 0 0 0 -3,-2.6 2,-0.7 -122,-0.1 -1,-0.3 0.692 80.2 78.6 -64.3 -21.3 31.9 45.3 8.0 136 136 A G <> - 0 0 0 -3,-1.7 4,-2.3 -4,-0.2 3,-0.3 -0.796 63.6-164.7 -95.2 111.6 34.7 46.6 5.8 137 137 A I H > S+ 0 0 8 -2,-0.7 4,-2.7 1,-0.2 5,-0.2 0.880 93.6 53.8 -63.6 -31.5 34.2 50.2 4.5 138 138 A D H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.861 108.3 50.9 -69.0 -30.7 36.9 49.7 1.9 139 139 A V H > S+ 0 0 9 -3,-0.3 4,-2.4 2,-0.2 -2,-0.2 0.937 111.3 46.8 -68.6 -47.3 35.2 46.5 0.8 140 140 A V H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 5,-0.2 0.950 117.1 42.4 -58.7 -52.2 31.8 48.4 0.4 141 141 A A H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.880 109.7 59.5 -67.1 -34.7 33.4 51.3 -1.4 142 142 A H H X S+ 0 0 6 -4,-2.3 4,-1.0 -5,-0.2 -1,-0.2 0.949 111.6 40.1 -50.9 -53.2 35.5 48.9 -3.5 143 143 A E H >X S+ 0 0 19 -4,-2.4 4,-1.0 2,-0.2 3,-0.6 0.917 112.6 52.7 -73.4 -37.8 32.4 47.2 -4.9 144 144 A L H >X S+ 0 0 4 -4,-2.4 4,-1.5 1,-0.2 3,-0.8 0.904 105.2 58.6 -58.9 -39.3 30.3 50.4 -5.3 145 145 A T H 3X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.3 -1,-0.2 0.795 94.8 62.0 -64.0 -28.1 33.2 51.8 -7.3 146 146 A H H <>S+ 0 0 0 -4,-2.7 5,-2.9 1,-0.2 3,-1.6 0.949 108.6 54.1 -61.6 -48.1 33.7 52.2 -13.4 150 150 A D H 3<5S+ 0 0 78 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.839 112.7 44.0 -54.3 -36.3 31.1 50.1 -15.4 151 151 A Y H 3<5S+ 0 0 129 -4,-1.5 -1,-0.3 -58,-0.2 -2,-0.2 0.522 128.0 26.5 -85.6 -7.2 29.1 53.3 -16.0 152 152 A T T <<5S+ 0 0 42 -3,-1.6 -3,-0.2 -4,-0.6 120,-0.1 0.477 133.7 8.0-119.7-100.3 32.2 55.4 -16.9 153 153 A A T 5S- 0 0 5 118,-0.4 -3,-0.2 123,-0.1 3,-0.1 0.866 78.1-150.4 -54.6 -41.4 35.4 53.9 -18.4 154 154 A G < - 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0 0 69 -2,-0.4 -9,-0.2 -9,-0.2 53,-0.1 -0.811 28.6-133.6 -87.3 112.7 57.5 62.9 -4.6 257 257 A G - 0 0 33 -2,-0.8 -12,-0.3 -11,-0.4 -13,-0.2 -0.367 20.2-170.0 -70.4 146.1 54.1 62.2 -3.0 258 258 A I - 0 0 25 -14,-3.6 4,-0.3 1,-0.2 -13,-0.2 0.449 45.1-106.5-116.8 -1.5 51.3 64.7 -3.6 259 259 A G > - 0 0 26 -14,-1.3 4,-1.9 -15,-0.4 -1,-0.2 -0.051 32.5 -73.9 96.9 165.1 48.7 63.4 -1.1 260 260 A R H > S+ 0 0 99 1,-0.2 4,-2.8 2,-0.2 5,-0.1 0.815 121.5 55.3 -64.1 -40.6 45.4 61.5 -1.1 261 261 A D H > S+ 0 0 134 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.912 110.5 43.9 -66.9 -44.6 43.2 64.3 -2.4 262 262 A K H > S+ 0 0 77 -4,-0.3 4,-2.8 2,-0.2 5,-0.3 0.897 112.6 53.2 -67.9 -43.2 45.2 65.0 -5.6 263 263 A L H X S+ 0 0 0 -4,-1.9 4,-2.5 1,-0.2 5,-0.2 0.934 110.4 49.4 -50.9 -48.3 45.5 61.2 -6.2 264 264 A G H X S+ 0 0 2 -4,-2.8 4,-2.2 1,-0.2 5,-0.2 0.915 112.1 46.4 -57.9 -49.8 41.7 61.1 -5.9 265 265 A K H X S+ 0 0 91 -4,-2.4 4,-2.3 1,-0.2 5,-0.2 0.921 113.9 47.4 -64.5 -41.9 41.2 64.0 -8.3 266 266 A I H X S+ 0 0 1 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.947 115.5 43.3 -65.0 -45.8 43.6 62.7 -10.9 267 267 A F H X S+ 0 0 0 -4,-2.5 4,-2.3 -5,-0.3 -1,-0.2 0.836 113.6 51.2 -75.4 -29.0 42.4 59.1 -10.9 268 268 A Y H X S+ 0 0 31 -4,-2.2 4,-2.6 -5,-0.2 5,-0.2 0.924 112.3 46.6 -66.1 -47.2 38.7 60.2 -10.9 269 269 A R H X S+ 0 0 68 -4,-2.3 4,-2.0 -5,-0.2 5,-0.4 0.907 114.3 48.6 -60.7 -43.8 39.3 62.5 -13.9 270 270 A A H X>S+ 0 0 0 -4,-2.4 5,-2.6 -5,-0.2 4,-2.0 0.927 112.5 48.8 -56.7 -48.7 41.2 59.7 -15.6 271 271 A L H <5S+ 0 0 1 -4,-2.3 -118,-0.4 1,-0.2 -2,-0.2 0.857 120.7 34.1 -62.2 -40.6 38.4 57.3 -14.8 272 272 A T H <5S+ 0 0 44 -4,-2.6 -1,-0.2 -120,-0.1 -2,-0.2 0.636 130.3 26.1 -97.1 -14.7 35.6 59.5 -16.1 273 273 A Q H <5S+ 0 0 111 -4,-2.0 -3,-0.2 -5,-0.2 -2,-0.2 0.606 127.7 20.3-124.9 -13.3 37.2 61.3 -19.0 274 274 A Y T <5S+ 0 0 77 -4,-2.0 -3,-0.2 -5,-0.4 -4,-0.1 0.682 91.9 87.2-131.8 -34.5 40.1 59.3 -20.5 275 275 A L < - 0 0 12 -5,-2.6 9,-0.0 12,-0.1 -120,-0.0 -0.445 52.2-170.9 -73.3 150.7 40.0 55.6 -19.8 276 276 A T > - 0 0 62 -2,-0.1 3,-1.9 -122,-0.1 -122,-0.1 -0.798 41.8 -85.5-133.6 168.9 38.0 53.3 -22.1 277 277 A P T 3 S+ 0 0 58 0, 0.0 -121,-2.1 0, 0.0 -123,-0.1 0.787 124.7 40.5 -54.1 -31.0 37.0 49.6 -21.9 278 278 A T T 3 S+ 0 0 97 -123,-0.2 -117,-0.1 -125,-0.1 -118,-0.1 0.207 80.1 144.0-107.6 16.1 40.2 48.3 -23.4 279 279 A S < - 0 0 5 -3,-1.9 -115,-0.2 -126,-0.1 2,-0.2 -0.357 31.6-159.3 -61.6 135.0 42.7 50.6 -21.7 280 280 A N > - 0 0 60 -120,-0.1 4,-2.1 -119,-0.1 5,-0.2 -0.481 36.5 -89.7-103.1 178.6 46.0 48.9 -20.8 281 281 A F H > S+ 0 0 0 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.889 126.9 50.6 -59.8 -45.9 48.6 50.0 -18.2 282 282 A S H > S+ 0 0 56 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.902 110.7 52.0 -57.3 -36.8 50.5 52.2 -20.6 283 283 A Q H > S+ 0 0 90 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.890 106.2 53.0 -70.0 -33.0 47.2 53.8 -21.6 284 284 A L H X S+ 0 0 0 -4,-2.1 4,-2.8 2,-0.2 5,-0.2 0.889 105.0 55.2 -66.7 -38.4 46.4 54.5 -17.9 285 285 A R H X S+ 0 0 31 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.965 109.8 46.7 -57.7 -48.8 49.7 56.2 -17.5 286 286 A A H X S+ 0 0 61 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.936 112.3 49.4 -58.5 -46.7 48.9 58.5 -20.4 287 287 A A H X S+ 0 0 9 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.919 112.3 48.2 -59.4 -43.0 45.4 59.2 -19.0 288 288 A A H X S+ 0 0 0 -4,-2.8 4,-2.2 2,-0.2 -1,-0.2 0.874 110.7 50.6 -65.0 -38.9 46.8 60.0 -15.6 289 289 A V H X S+ 0 0 24 -4,-2.5 4,-2.1 -5,-0.2 -1,-0.2 0.920 112.6 47.0 -65.3 -41.1 49.4 62.3 -16.9 290 290 A Q H X S+ 0 0 77 -4,-2.5 4,-2.9 -5,-0.2 -2,-0.2 0.868 109.8 53.2 -68.0 -36.8 46.8 64.1 -18.9 291 291 A S H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.922 111.4 45.8 -63.7 -43.3 44.4 64.4 -16.0 292 292 A A H X S+ 0 0 0 -4,-2.2 4,-3.4 2,-0.2 5,-0.4 0.845 112.6 50.8 -68.6 -36.9 47.1 65.9 -13.8 293 293 A T H X S+ 0 0 34 -4,-2.1 4,-2.9 2,-0.2 -2,-0.2 0.963 111.7 47.6 -60.1 -54.3 48.1 68.3 -16.7 294 294 A D H < S+ 0 0 63 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.916 122.3 36.9 -47.8 -50.9 44.4 69.3 -17.0 295 295 A L H < S+ 0 0 60 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.833 135.4 13.2 -77.0 -36.9 44.2 69.8 -13.3 296 296 A Y H < S- 0 0 67 -4,-3.4 -3,-0.2 -5,-0.1 -2,-0.2 0.467 106.5 -93.9-129.3 -1.4 47.6 71.2 -12.3 297 297 A G >< - 0 0 30 -4,-2.9 3,-1.9 -5,-0.4 6,-0.4 0.191 35.5 -92.1 94.1 141.8 49.5 72.3 -15.4 298 298 A S T 3 S+ 0 0 86 1,-0.3 -1,-0.1 -5,-0.1 -5,-0.1 0.673 126.5 49.9 -62.9 -21.2 52.1 70.5 -17.6 299 299 A T T 3 S+ 0 0 140 -6,-0.1 -1,-0.3 -3,-0.1 -2,-0.1 0.283 88.2 124.4 -99.7 8.0 54.9 71.9 -15.5 300 300 A S S <> S- 0 0 15 -3,-1.9 4,-1.4 1,-0.1 5,-0.1 -0.209 71.6-126.5 -68.7 156.0 53.3 70.9 -12.2 301 301 A Q H > S+ 0 0 96 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.879 111.8 63.7 -56.3 -38.6 54.9 68.8 -9.5 302 302 A E H > S+ 0 0 23 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.926 102.4 44.1 -57.7 -50.6 51.7 66.7 -9.8 303 303 A V H > S+ 0 0 5 -6,-0.4 4,-1.9 -11,-0.2 -1,-0.2 0.884 114.9 50.8 -62.4 -35.9 52.4 65.7 -13.4 304 304 A A H X S+ 0 0 40 -4,-1.4 4,-2.7 2,-0.2 -2,-0.2 0.908 109.0 50.3 -69.8 -39.5 56.0 65.0 -12.6 305 305 A S H X S+ 0 0 0 -4,-3.1 4,-2.9 1,-0.2 5,-0.2 0.904 107.6 53.6 -67.1 -42.2 55.0 62.8 -9.6 306 306 A V H X S+ 0 0 0 -4,-2.4 4,-2.1 -5,-0.2 5,-0.3 0.937 111.0 46.9 -55.5 -44.0 52.6 60.8 -11.8 307 307 A K H X S+ 0 0 94 -4,-1.9 4,-2.8 2,-0.2 -2,-0.2 0.953 111.0 51.4 -66.9 -43.9 55.4 60.1 -14.2 308 308 A Q H X S+ 0 0 54 -4,-2.7 4,-3.2 1,-0.2 -2,-0.2 0.950 109.5 51.6 -50.3 -53.9 57.8 59.2 -11.4 309 309 A A H X S+ 0 0 0 -4,-2.9 4,-1.4 2,-0.2 -1,-0.2 0.921 112.0 42.8 -54.9 -51.1 55.3 56.7 -10.0 310 310 A F H <>S+ 0 0 0 -4,-2.1 5,-3.0 1,-0.2 4,-0.3 0.914 113.0 55.6 -67.5 -37.1 54.6 54.9 -13.3 311 311 A D H ><5S+ 0 0 85 -4,-2.8 3,-2.1 -5,-0.3 -2,-0.2 0.958 104.6 53.3 -51.6 -50.3 58.3 54.9 -13.9 312 312 A A H 3<5S+ 0 0 1 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.829 109.8 46.8 -64.1 -27.1 58.9 53.2 -10.6 313 313 A V T 3<5S- 0 0 0 -4,-1.4 -96,-2.2 -3,-0.3 -1,-0.3 0.315 118.5-109.3 -98.0 10.1 56.5 50.4 -11.4 314 314 A G T < 5S+ 0 0 30 -3,-2.1 2,-0.6 -4,-0.3 -3,-0.2 0.716 71.6 139.3 77.3 25.4 58.0 49.9 -14.8 315 315 A V < 0 0 5 -5,-3.0 -1,-0.2 -6,-0.2 -2,-0.1 -0.883 360.0 360.0-109.9 116.1 55.0 51.2 -16.7 316 316 A K 0 0 101 -2,-0.6 -31,-0.2 -3,-0.1 -30,-0.1 -0.711 360.0 360.0-106.9 360.0 55.8 53.4 -19.7