==== 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 05-DEC-08 3FGD . COMPND 2 MOLECULE: THERMOLYSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS THERMOPROTEOLYTICUS; . AUTHOR L.ENGLERT,A.HEINE,G.KLEBE . 316 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12528.0 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 . 20 6.3 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 . 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 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 84 0, 0.0 2,-0.4 0, 0.0 23,-0.0 0.000 360.0 360.0 360.0 159.3 -38.0 28.5 0.5 2 2 A T + 0 0 130 21,-0.0 2,-0.3 23,-0.0 21,-0.0 -0.735 360.0 102.8 -81.6 132.9 -40.1 25.5 -0.2 3 3 A G - 0 0 42 -2,-0.4 2,-0.4 23,-0.0 22,-0.2 -0.949 68.2 -62.0-177.3-160.4 -39.8 24.3 -3.8 4 4 A T E -A 24 0A 89 20,-2.1 20,-2.8 -2,-0.3 2,-0.2 -0.881 48.6-108.9-114.4 145.7 -38.2 21.7 -6.1 5 5 A S E +A 23 0A 70 -2,-0.4 2,-0.2 18,-0.2 18,-0.2 -0.470 45.7 169.1 -73.8 132.5 -34.5 21.2 -6.6 6 6 A T E -A 22 0A 29 16,-2.6 16,-2.6 -2,-0.2 2,-0.5 -0.792 31.9-122.0-136.5 174.4 -33.3 22.2 -10.1 7 7 A V E -A 21 0A 91 -2,-0.2 14,-0.2 14,-0.2 2,-0.1 -0.956 27.0-173.7-131.2 110.0 -30.0 22.8 -11.9 8 8 A G E -A 20 0A 2 12,-2.5 12,-2.2 -2,-0.5 2,-0.3 -0.418 11.7-142.7 -92.4 174.6 -29.3 26.2 -13.4 9 9 A V E +Ab 19 61A 37 51,-1.7 53,-2.8 10,-0.2 2,-0.3 -0.994 31.5 135.1-138.7 144.5 -26.4 27.2 -15.6 10 10 A G E -Ab 18 62A 0 8,-2.2 8,-2.4 -2,-0.3 2,-0.4 -0.913 45.7 -91.1-165.0-169.4 -24.4 30.4 -15.7 11 11 A R E -A 17 0A 108 51,-2.1 60,-0.3 -2,-0.3 6,-0.2 -0.969 31.9-137.3-122.0 141.6 -20.9 32.0 -15.9 12 12 A G > - 0 0 4 4,-2.6 3,-2.0 -2,-0.4 56,-0.2 -0.143 41.5 -80.1 -83.7-176.8 -18.7 33.1 -13.0 13 13 A V T 3 S+ 0 0 30 55,-0.5 55,-0.1 1,-0.3 122,-0.1 0.805 129.8 49.4 -55.1 -34.9 -16.6 36.2 -12.5 14 14 A L T 3 S- 0 0 94 54,-0.1 -1,-0.3 121,-0.1 178,-0.0 0.328 122.5-102.0 -92.8 7.1 -13.8 34.9 -14.7 15 15 A G S < S+ 0 0 48 -3,-2.0 2,-0.3 1,-0.3 -2,-0.1 0.564 73.8 142.0 90.9 9.2 -16.1 33.9 -17.6 16 16 A D - 0 0 62 1,-0.0 -4,-2.6 0, 0.0 2,-0.3 -0.688 48.3-128.0 -89.0 135.9 -16.2 30.2 -16.9 17 17 A Q E +A 11 0A 131 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.2 -0.614 36.6 164.4 -81.9 139.8 -19.5 28.3 -17.4 18 18 A K E -A 10 0A 17 -8,-2.4 -8,-2.2 -2,-0.3 2,-0.3 -0.992 35.6-117.5-151.1 154.7 -20.7 26.1 -14.5 19 19 A N E -A 9 0A 102 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.717 30.9-164.8 -87.0 145.6 -23.9 24.4 -13.3 20 20 A I E -A 8 0A 2 -12,-2.2 -12,-2.5 -2,-0.3 2,-0.5 -0.966 22.9-115.5-133.6 149.6 -25.4 25.5 -10.0 21 21 A N E +A 7 0A 42 -2,-0.3 -14,-0.2 -14,-0.2 2,-0.2 -0.744 44.0 171.1 -86.2 124.4 -28.0 23.9 -7.8 22 22 A T E -A 6 0A 1 -16,-2.6 -16,-2.6 -2,-0.5 2,-0.4 -0.657 28.8-128.0-125.7 175.4 -31.2 26.0 -7.6 23 23 A T E -AC 5 29A 0 6,-1.8 6,-3.2 -18,-0.2 2,-0.5 -0.998 18.9-144.6-129.9 127.7 -34.7 25.8 -6.2 24 24 A Y E +AC 4 28A 94 -20,-2.8 -20,-2.1 -2,-0.4 4,-0.2 -0.855 39.6 137.3-100.5 126.0 -37.8 26.5 -8.2 25 25 A S S S- 0 0 44 2,-2.7 2,-2.5 -2,-0.5 -2,-0.0 -0.616 95.9 -47.5-159.3 93.2 -41.0 28.1 -6.8 26 26 A T S S+ 0 0 108 -2,-0.2 2,-0.3 32,-0.0 -2,-0.1 -0.382 140.1 37.6 66.2 -56.2 -42.2 30.7 -9.4 27 27 A Y S S- 0 0 115 -2,-2.5 -2,-2.7 -4,-0.1 2,-0.6 -0.731 94.0-110.2-104.6 166.9 -38.6 32.0 -9.7 28 28 A Y E -CD 24 57A 57 29,-3.0 29,-2.1 -2,-0.3 2,-0.3 -0.883 39.9-160.8 -93.9 118.3 -35.4 30.0 -9.6 29 29 A Y E -CD 23 56A 47 -6,-3.2 2,-2.2 -2,-0.6 -6,-1.8 -0.772 29.2-113.5-103.7 149.2 -33.6 30.8 -6.4 30 30 A L S S+ 0 0 0 25,-2.1 11,-2.4 11,-0.3 2,-0.4 -0.528 72.0 130.2 -78.4 81.2 -29.9 30.3 -5.5 31 31 A Q E -E 40 0B 9 -2,-2.2 2,-0.7 9,-0.2 9,-0.2 -0.950 43.5-160.4-141.0 107.3 -30.8 27.7 -3.0 32 32 A D E > +E 39 0B 2 7,-2.8 7,-1.5 -2,-0.4 3,-0.5 -0.877 10.9 179.4 -97.3 107.4 -28.8 24.4 -3.2 33 33 A N T 3 + 0 0 57 -2,-0.7 -1,-0.1 -11,-0.3 -28,-0.1 0.386 67.0 80.8 -88.8 3.4 -30.7 21.7 -1.4 34 34 A T T 3 S+ 0 0 83 1,-0.1 2,-0.5 5,-0.1 -1,-0.2 0.568 84.8 61.6 -88.2 -10.0 -28.2 19.0 -2.1 35 35 A R S X S- 0 0 48 -3,-0.5 3,-2.5 4,-0.1 -1,-0.1 -0.935 111.4 -63.8-124.6 113.3 -25.7 20.0 0.6 36 36 A G T 3 S- 0 0 28 -2,-0.5 62,-0.1 1,-0.3 3,-0.1 -0.198 112.1 -18.0 51.9-136.4 -26.7 19.8 4.3 37 37 A N T 3 S- 0 0 108 60,-1.7 -1,-0.3 1,-0.3 62,-0.2 0.202 120.1 -77.9 -88.4 14.5 -29.5 22.1 5.3 38 38 A G < - 0 0 2 -3,-2.5 62,-2.3 60,-0.1 2,-0.4 -0.058 29.4-111.1 115.1 154.8 -28.9 24.2 2.2 39 39 A I E -Ef 32 100B 0 -7,-1.5 -7,-2.8 60,-0.2 2,-0.4 -0.996 35.9-169.3-118.8 126.1 -26.6 26.7 0.6 40 40 A F E -Ef 31 101B 20 60,-3.3 62,-2.1 -2,-0.4 2,-0.4 -0.980 6.9-164.2-126.3 123.1 -28.3 30.1 0.1 41 41 A T E - f 0 102B 0 -11,-2.4 14,-2.6 -2,-0.4 -11,-0.3 -0.952 11.5-165.5-117.2 131.9 -27.0 33.0 -1.9 42 42 A Y E -Gf 54 103B 28 60,-2.9 62,-2.4 -2,-0.4 2,-0.6 -0.813 20.3-127.3-117.6 153.7 -28.4 36.5 -1.5 43 43 A D E -Gf 53 104B 17 10,-2.9 10,-2.1 -2,-0.3 62,-0.2 -0.894 13.6-173.7 -99.8 117.5 -28.3 39.9 -3.4 44 44 A A > - 0 0 6 60,-2.9 3,-2.4 -2,-0.6 5,-0.3 0.539 31.6-140.8 -84.9 -5.3 -27.3 42.8 -1.2 45 45 A K T 3 - 0 0 108 59,-0.4 61,-0.1 1,-0.3 60,-0.1 0.767 62.9 -58.0 56.9 37.1 -28.1 45.1 -4.2 46 46 A Y T 3 S+ 0 0 107 59,-2.7 -1,-0.3 1,-0.3 60,-0.2 0.479 116.6 108.8 72.5 7.1 -25.1 47.4 -3.6 47 47 A R S < S- 0 0 177 -3,-2.4 60,-2.4 58,-0.3 -1,-0.3 -0.433 73.3-126.2-103.8-177.4 -26.3 48.2 -0.1 48 48 A T + 0 0 80 58,-0.2 2,-0.3 -2,-0.1 -3,-0.1 0.304 69.9 114.5-117.8 8.5 -25.0 47.2 3.3 49 49 A T - 0 0 103 -5,-0.3 -2,-0.1 2,-0.1 58,-0.1 -0.597 69.1-102.5 -73.3 135.0 -28.2 45.7 4.8 50 50 A L S S- 0 0 50 -2,-0.3 -2,-0.1 1,-0.2 -6,-0.0 -0.952 81.8 -5.3-124.5 146.9 -27.7 42.0 5.3 51 51 A P S S- 0 0 49 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.993 81.2-169.6 -82.7 -11.6 -28.4 39.5 4.1 52 52 A G - 0 0 33 -8,-0.1 2,-0.4 -10,-0.1 -8,-0.2 -0.723 48.2 -21.2 92.3-148.5 -30.6 41.2 1.5 53 53 A S E -G 43 0B 51 -10,-2.1 -10,-2.9 -2,-0.3 -8,-0.1 -0.831 66.6-107.2-105.7 135.4 -32.9 39.2 -0.8 54 54 A L E -G 42 0B 36 -2,-0.4 -12,-0.3 -12,-0.2 2,-0.3 -0.338 55.9 -97.0 -56.9 132.2 -32.5 35.4 -1.6 55 55 A W - 0 0 10 -14,-2.6 -25,-2.1 -25,-0.3 2,-0.4 -0.376 48.1-169.9 -68.0 125.9 -31.3 35.6 -5.2 56 56 A A E -D 29 0A 46 -2,-0.3 2,-0.4 -27,-0.2 -27,-0.2 -0.897 8.5-179.3-119.6 135.2 -34.2 35.1 -7.7 57 57 A D E -D 28 0A 22 -29,-2.1 -29,-3.0 -2,-0.4 3,-0.1 -0.998 24.0-142.3-137.8 138.3 -33.9 34.5 -11.4 58 58 A A S S+ 0 0 74 -2,-0.4 -1,-0.1 -31,-0.2 -29,-0.1 0.810 94.6 21.9 -72.5 -33.7 -36.8 34.1 -13.9 59 59 A D S S- 0 0 87 2,-0.3 -1,-0.2 -31,-0.1 3,-0.1 0.374 96.6-113.0-125.6 7.3 -35.3 31.5 -16.2 60 60 A N S S+ 0 0 19 1,-0.2 -51,-1.7 -32,-0.2 2,-0.4 0.645 80.9 117.6 72.1 16.3 -32.5 29.5 -14.4 61 61 A Q E -b 9 0A 105 -53,-0.2 -2,-0.3 -51,-0.0 2,-0.3 -0.975 43.0-172.4-115.8 130.4 -29.8 31.0 -16.7 62 62 A F E +b 10 0A 0 -53,-2.8 -51,-2.1 -2,-0.4 9,-0.1 -0.517 41.1 121.9-125.8 61.8 -27.2 33.1 -14.9 63 63 A F + 0 0 57 -53,-0.3 -1,-0.1 -2,-0.3 2,-0.1 0.351 39.3 112.0-106.6 3.3 -25.1 34.6 -17.7 64 64 A A S >> S- 0 0 48 -3,-0.2 4,-1.1 1,-0.1 3,-0.8 -0.456 76.0-122.2 -73.7 149.6 -25.6 38.3 -16.9 65 65 A S G >4 S+ 0 0 114 1,-0.2 3,-0.9 2,-0.2 -1,-0.1 0.923 116.1 55.9 -57.1 -37.8 -22.6 40.2 -15.7 66 66 A Y G 34 S+ 0 0 65 1,-0.2 4,-0.4 2,-0.1 -1,-0.2 0.776 105.3 53.9 -63.0 -27.3 -24.6 41.1 -12.6 67 67 A D G X> S+ 0 0 17 -3,-0.8 4,-2.2 1,-0.2 3,-0.7 0.765 85.6 85.1 -76.8 -26.5 -25.1 37.4 -12.0 68 68 A A H S+ 0 0 4 0, 0.0 4,-2.3 0, 0.0 -1,-0.3 0.870 113.2 50.0 -63.6 -31.8 -20.5 37.1 -8.4 70 70 A A H <> S+ 0 0 0 -3,-0.7 4,-2.4 -4,-0.4 5,-0.3 0.909 107.1 53.0 -70.9 -41.4 -23.6 35.2 -7.2 71 71 A V H X S+ 0 0 0 -4,-2.2 4,-2.6 -60,-0.3 5,-0.2 0.931 114.5 42.6 -55.8 -48.7 -22.8 32.1 -9.4 72 72 A D H X S+ 0 0 0 -4,-2.1 4,-2.9 2,-0.2 5,-0.4 0.908 112.1 51.6 -73.9 -37.8 -19.3 31.9 -8.0 73 73 A A H X S+ 0 0 0 -4,-2.3 4,-1.7 -5,-0.2 -1,-0.2 0.941 116.7 42.5 -56.9 -44.5 -20.3 32.6 -4.3 74 74 A H H X S+ 0 0 4 -4,-2.4 4,-1.6 2,-0.2 -2,-0.2 0.947 118.0 43.6 -68.8 -49.5 -22.9 29.8 -4.6 75 75 A Y H X S+ 0 0 98 -4,-2.6 4,-2.0 -5,-0.3 -2,-0.2 0.927 115.2 47.5 -65.4 -47.3 -20.8 27.3 -6.5 76 76 A Y H X S+ 0 0 28 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.835 106.0 58.2 -72.1 -27.1 -17.6 27.8 -4.4 77 77 A A H X S+ 0 0 0 -4,-1.7 4,-2.4 -5,-0.4 -1,-0.2 0.905 107.6 50.5 -61.2 -38.4 -19.6 27.5 -1.2 78 78 A G H X S+ 0 0 0 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.925 109.0 48.7 -62.0 -46.3 -20.6 24.1 -2.5 79 79 A V H X S+ 0 0 15 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.913 112.0 50.0 -59.6 -42.0 -17.0 23.1 -3.3 80 80 A T H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 5,-0.2 0.914 109.6 50.5 -67.1 -40.1 -15.9 24.2 0.2 81 81 A Y H X S+ 0 0 14 -4,-2.4 4,-2.5 1,-0.2 11,-0.3 0.911 110.7 50.2 -55.3 -50.3 -18.7 22.2 1.8 82 82 A D H X S+ 0 0 40 -4,-2.5 4,-3.0 1,-0.2 5,-0.4 0.897 108.3 53.1 -62.1 -39.9 -17.6 19.2 -0.3 83 83 A Y H X>S+ 0 0 10 -4,-2.4 4,-2.7 1,-0.2 5,-0.8 0.971 111.9 43.6 -57.2 -52.9 -14.0 19.6 0.9 84 84 A Y H X5S+ 0 0 3 -4,-2.5 6,-2.3 1,-0.2 4,-1.1 0.913 119.7 42.6 -64.0 -36.7 -14.9 19.7 4.5 85 85 A K H X5S+ 0 0 87 -4,-2.5 4,-1.1 4,-0.3 -1,-0.2 0.956 121.9 36.7 -73.0 -46.1 -17.3 16.7 4.2 86 86 A N H <5S+ 0 0 97 -4,-3.0 -2,-0.2 -5,-0.2 -3,-0.2 0.830 128.0 32.5 -80.2 -32.7 -15.2 14.5 1.9 87 87 A V H <5S+ 0 0 55 -4,-2.7 -3,-0.2 -5,-0.4 -1,-0.2 0.828 135.8 19.8 -96.1 -35.4 -11.7 15.3 3.4 88 88 A H H < - 0 0 54 -2,-0.5 6,-2.7 4,-0.3 4,-0.5 -0.803 63.9 -45.1 -95.6 101.8 -20.8 18.5 7.8 92 92 A S T >4 S- 0 0 5 -2,-0.9 3,-0.7 -11,-0.3 7,-0.1 -0.032 92.6 -55.2 60.6-172.5 -20.9 22.3 7.2 93 93 A Y T 34 S+ 0 0 18 5,-0.3 58,-0.2 1,-0.2 -1,-0.2 0.814 138.0 44.7 -76.7 -23.5 -19.1 24.8 9.4 94 94 A D T 34 S- 0 0 48 -3,-0.2 -1,-0.2 4,-0.1 -2,-0.2 0.461 108.6-117.0 -96.4 -1.1 -20.8 23.8 12.7 95 95 A G S << S+ 0 0 34 -3,-0.7 -4,-0.3 -4,-0.5 -3,-0.2 0.475 103.2 79.5 80.6 -2.0 -20.4 20.0 12.1 96 96 A N S S- 0 0 124 -5,-0.2 -4,-0.2 -6,-0.1 -3,-0.1 -0.069 114.1 -94.8-130.7 32.2 -24.2 19.7 12.0 97 97 A N - 0 0 36 -6,-2.7 -60,-1.7 1,-0.2 -5,-0.2 0.755 53.6-171.8 63.7 33.0 -25.0 20.8 8.5 98 98 A A - 0 0 16 -7,-0.5 -5,-0.3 -62,-0.1 -1,-0.2 -0.185 34.6 -97.7 -51.5 139.8 -25.8 24.4 9.3 99 99 A A - 0 0 14 -62,-0.2 2,-0.6 -63,-0.1 -60,-0.2 -0.408 36.0-134.3 -56.9 137.5 -27.2 26.3 6.3 100 100 A I E -f 39 0B 1 -62,-2.3 -60,-3.3 -3,-0.1 2,-0.4 -0.879 23.3-168.8-104.0 120.2 -24.5 28.3 4.5 101 101 A R E +f 40 0B 87 -2,-0.6 19,-2.6 17,-0.3 2,-0.3 -0.921 8.2 176.0-114.9 136.8 -25.5 31.9 3.6 102 102 A S E -fh 41 120B 0 -62,-2.1 -60,-2.9 -2,-0.4 2,-0.4 -0.994 13.1-158.0-133.2 142.7 -23.7 34.3 1.4 103 103 A S E -fh 42 121B 0 17,-2.5 19,-2.4 -2,-0.3 3,-0.2 -0.980 10.9-170.0-118.1 138.8 -24.4 37.8 0.1 104 104 A V E +f 43 0B 0 -62,-2.4 -60,-2.9 -2,-0.4 -59,-0.4 -0.657 63.9 43.4-118.2 173.2 -22.9 39.4 -3.0 105 105 A H E S+ 0 0 7 17,-0.3 -59,-2.7 -2,-0.2 2,-0.5 0.884 74.4 176.3 56.1 40.5 -23.0 43.0 -4.4 106 106 A Y E - h 0 123B 35 16,-2.1 18,-0.5 -3,-0.2 4,-0.4 -0.674 50.3 -32.3 -76.3 125.6 -22.3 44.2 -0.9 107 107 A S S S- 0 0 32 -60,-2.4 2,-0.4 -2,-0.5 -60,-0.1 -0.104 93.1 -61.2 63.4-165.1 -21.9 48.0 -0.9 108 108 A Q S S- 0 0 157 1,-0.1 3,-0.1 15,-0.1 18,-0.1 -0.983 109.8 -12.2-121.3 125.3 -20.3 49.9 -3.8 109 109 A G S S+ 0 0 38 -2,-0.4 2,-0.7 16,-0.4 17,-0.3 0.803 83.7 175.6 62.2 32.7 -16.8 49.3 -5.0 110 110 A Y - 0 0 73 -4,-0.4 15,-1.9 15,-0.4 2,-1.5 -0.576 21.8-159.3 -83.7 113.8 -16.1 47.3 -1.8 111 111 A N + 0 0 49 -2,-0.7 2,-0.3 -3,-0.1 -1,-0.1 -0.351 62.3 54.9 -89.6 56.2 -12.6 45.8 -2.0 112 112 A N - 0 0 85 -2,-1.5 11,-2.5 2,-0.0 2,-0.3 -0.993 57.3-146.8-169.3 174.7 -13.1 43.1 0.5 113 113 A A E +I 122 0B 5 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.942 24.8 169.7-146.7 156.7 -15.0 40.0 1.7 114 114 A F E -I 121 0B 52 7,-2.1 7,-2.5 -2,-0.3 2,-0.5 -0.984 37.9-115.1-161.8 169.4 -15.7 38.8 5.3 115 115 A W E -I 120 0B 28 -2,-0.3 5,-0.2 5,-0.2 -2,-0.0 -0.971 24.2-162.9-108.7 123.3 -17.6 36.5 7.7 116 116 A N - 0 0 66 3,-2.4 4,-0.1 -2,-0.5 -1,-0.1 0.218 55.3 -87.7 -98.2 15.4 -19.9 38.6 9.8 117 117 A G S S+ 0 0 44 2,-0.2 3,-0.1 0, 0.0 -2,-0.0 0.094 125.2 36.9 100.4 -17.6 -20.5 36.0 12.6 118 118 A S S S+ 0 0 84 1,-0.4 -17,-0.3 -17,-0.0 2,-0.3 0.482 118.8 5.8-137.7 -21.6 -23.5 34.6 10.6 119 119 A Q S S- 0 0 12 -19,-0.1 -3,-2.4 24,-0.0 -1,-0.4 -0.979 70.2 -91.8-161.6 165.5 -22.8 34.6 6.9 120 120 A M E -hI 102 115B 0 -19,-2.6 -17,-2.5 -2,-0.3 2,-0.4 -0.635 35.3-166.7 -83.3 141.0 -20.3 35.3 4.1 121 121 A V E -hI 103 114B 0 -7,-2.5 -7,-2.1 -2,-0.3 2,-0.5 -0.996 2.1-168.6-135.8 131.9 -20.3 38.8 2.5 122 122 A Y E - I 0 113B 0 -19,-2.4 -16,-2.1 -2,-0.4 -17,-0.3 -0.976 8.9-150.7-127.6 126.8 -18.6 39.8 -0.8 123 123 A G E -h 106 0B 1 -11,-2.5 10,-2.0 -2,-0.5 11,-0.4 -0.319 21.3-128.6 -74.7 168.4 -17.9 43.1 -2.3 124 124 A D - 0 0 24 -18,-0.5 3,-0.2 8,-0.2 -13,-0.1 0.568 44.7-131.7 -88.6 -10.5 -17.7 43.7 -6.0 125 125 A G - 0 0 8 -15,-1.9 -16,-0.4 -13,-0.2 -15,-0.4 -0.006 24.8 -89.3 71.9 171.3 -14.3 45.5 -5.8 126 126 A D - 0 0 80 -17,-0.3 -1,-0.2 5,-0.1 5,-0.2 0.405 56.0-111.1 -99.0 4.8 -13.6 48.8 -7.5 127 127 A G S S+ 0 0 46 3,-2.9 4,-0.1 -3,-0.2 -2,-0.1 0.252 109.0 60.8 85.7 -9.2 -12.5 47.1 -10.7 128 128 A Q S S+ 0 0 66 2,-0.3 68,-0.5 67,-0.1 3,-0.1 0.729 114.3 24.0-112.4 -55.2 -8.9 48.2 -10.1 129 129 A T S S+ 0 0 55 1,-0.3 65,-3.2 65,-0.2 2,-0.3 0.906 137.0 2.9 -77.3 -43.7 -7.8 46.7 -6.8 130 130 A F B -J 193 0C 13 63,-0.3 -3,-2.9 64,-0.1 -1,-0.3 -0.985 55.5-148.2-139.9 153.6 -10.3 43.9 -7.0 131 131 A I S S- 0 0 36 61,-2.1 -5,-0.1 -2,-0.3 4,-0.1 -0.528 74.4 -40.9 -99.7 176.6 -13.0 42.4 -9.2 132 132 A P > - 0 0 27 0, 0.0 3,-1.9 0, 0.0 -8,-0.2 -0.165 61.9-139.7 -54.7 128.2 -15.9 40.7 -7.4 133 133 A L G > S+ 0 0 4 -10,-2.0 3,-1.7 1,-0.3 7,-0.2 0.692 93.0 71.2 -74.6 -20.4 -14.3 38.8 -4.6 134 134 A S G 3 S+ 0 0 0 -11,-0.4 -1,-0.3 1,-0.3 -58,-0.2 0.594 79.6 82.8 -68.4 -7.9 -16.4 35.6 -4.8 135 135 A G G < S+ 0 0 1 -3,-1.9 2,-0.6 -4,-0.1 -1,-0.3 0.622 79.2 76.2 -67.3 -11.4 -14.4 34.9 -8.0 136 136 A G <> - 0 0 0 -3,-1.7 4,-2.4 1,-0.2 3,-0.3 -0.879 65.8-161.6-104.5 115.9 -11.6 33.5 -5.9 137 137 A I H > S+ 0 0 9 -2,-0.6 4,-2.8 1,-0.2 5,-0.3 0.888 95.1 56.1 -62.7 -33.3 -12.2 30.1 -4.5 138 138 A D H > S+ 0 0 1 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.878 107.5 49.8 -66.2 -32.1 -9.5 30.7 -1.9 139 139 A V H > S+ 0 0 14 -3,-0.3 4,-2.5 2,-0.2 -2,-0.2 0.952 111.9 46.9 -67.9 -48.0 -11.4 33.8 -0.8 140 140 A V H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 5,-0.2 0.944 116.7 43.4 -59.3 -47.8 -14.7 31.9 -0.5 141 141 A A H X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.860 110.2 56.6 -69.1 -33.3 -13.0 29.1 1.4 142 142 A H H X S+ 0 0 8 -4,-2.2 4,-1.2 -5,-0.3 -1,-0.2 0.938 111.8 44.3 -56.8 -49.1 -11.0 31.6 3.6 143 143 A E H >X S+ 0 0 13 -4,-2.5 4,-1.0 2,-0.2 3,-0.5 0.944 112.8 48.3 -68.3 -45.3 -14.3 33.1 4.6 144 144 A L H 3X S+ 0 0 4 -4,-2.7 4,-1.8 1,-0.2 3,-0.5 0.878 106.5 59.7 -61.2 -32.3 -16.2 29.8 5.3 145 145 A T H 3X S+ 0 0 0 -4,-2.2 4,-3.0 1,-0.3 -1,-0.2 0.857 94.4 63.0 -68.8 -26.3 -13.2 28.7 7.3 146 146 A H H <>S+ 0 0 0 -4,-3.0 5,-2.9 1,-0.2 3,-1.2 0.942 108.7 54.4 -59.2 -43.9 -12.9 28.3 13.5 150 150 A D H 3<5S+ 0 0 73 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.839 112.8 43.7 -61.5 -34.1 -15.6 30.3 15.3 151 151 A Y H 3<5S+ 0 0 130 -4,-1.8 -1,-0.3 -3,-0.2 -2,-0.2 0.518 127.1 27.5 -85.3 -9.3 -17.4 26.9 15.9 152 152 A T T <<5S+ 0 0 39 -3,-1.2 -3,-0.2 -4,-0.8 120,-0.1 0.461 133.4 5.7-118.6-103.2 -14.3 25.0 16.9 153 153 A A T 5S- 0 0 6 118,-0.4 -3,-0.2 -5,-0.1 126,-0.1 0.848 77.7-151.0 -58.7 -37.7 -11.1 26.6 18.4 154 154 A G < - 0 0 24 -5,-2.9 -4,-0.2 1,-0.2 -1,-0.1 0.801 15.8-162.6 73.6 26.1 -12.8 30.0 18.7 155 155 A L - 0 0 4 -6,-0.2 -1,-0.2 1,-0.1 123,-0.2 -0.203 21.6-116.5 -50.3 121.0 -9.5 31.9 18.3 156 156 A I - 0 0 83 121,-2.9 2,-1.8 1,-0.1 9,-0.3 -0.324 24.1-120.9 -60.9 137.6 -10.0 35.5 19.5 157 157 A Y S S+ 0 0 83 5,-0.1 2,-0.3 4,-0.1 -1,-0.1 -0.329 80.6 81.7 -89.0 62.7 -9.4 37.9 16.6 158 158 A Q S > S- 0 0 32 -2,-1.8 4,-2.1 70,-0.1 3,-0.4 -0.979 88.9 -20.3-155.5 145.6 -6.5 39.8 18.1 159 159 A N H > S- 0 0 104 68,-2.2 4,-2.1 -2,-0.3 5,-0.2 -0.075 120.8 -13.9 54.8-144.6 -2.7 39.5 18.4 160 160 A E H > S+ 0 0 42 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.937 138.7 50.9 -68.7 -38.7 -1.3 35.9 18.1 161 161 A S H > S+ 0 0 14 -3,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.908 112.2 49.4 -63.2 -35.1 -4.6 34.0 18.4 162 162 A G H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.863 107.6 52.6 -70.2 -35.6 -6.0 36.3 15.7 163 163 A A H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.862 109.9 49.8 -68.2 -33.2 -3.0 35.7 13.4 164 164 A I H X S+ 0 0 0 -4,-2.3 4,-2.9 2,-0.2 -2,-0.2 0.922 108.6 52.4 -67.0 -44.3 -3.6 32.0 13.9 165 165 A N H X S+ 0 0 2 -4,-2.3 4,-2.0 -9,-0.3 -2,-0.2 0.956 112.5 46.7 -50.7 -51.8 -7.3 32.5 13.0 166 166 A E H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.930 111.8 48.7 -56.6 -48.4 -6.2 34.2 9.9 167 167 A A H X S+ 0 0 0 -4,-2.4 4,-3.3 1,-0.2 5,-0.2 0.905 106.4 56.9 -64.8 -37.6 -3.6 31.6 8.9 168 168 A I H X S+ 0 0 1 -4,-2.9 4,-2.7 1,-0.2 5,-0.3 0.932 108.9 47.7 -56.9 -42.7 -6.1 28.8 9.4 169 169 A S H X S+ 0 0 0 -4,-2.0 4,-1.8 -5,-0.2 -2,-0.2 0.865 114.0 45.8 -68.0 -34.4 -8.4 30.6 6.9 170 170 A D H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.898 113.3 50.8 -70.6 -39.1 -5.5 31.0 4.4 171 171 A I H X S+ 0 0 0 -4,-3.3 4,-2.6 2,-0.2 -2,-0.2 0.962 117.6 36.4 -62.0 -54.5 -4.3 27.4 4.9 172 172 A F H X S+ 0 0 0 -4,-2.7 4,-2.6 -5,-0.2 5,-0.2 0.855 112.9 59.0 -76.1 -26.0 -7.8 25.8 4.3 173 173 A G H X S+ 0 0 0 -4,-1.8 4,-2.1 -5,-0.3 -1,-0.2 0.943 111.3 43.6 -57.2 -44.7 -8.6 28.4 1.6 174 174 A T H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.915 111.3 51.7 -68.7 -43.2 -5.5 27.1 -0.2 175 175 A L H X S+ 0 0 9 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.886 110.2 50.2 -66.8 -32.5 -6.3 23.4 0.4 176 176 A V H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 5,-0.3 0.922 108.0 53.2 -66.2 -41.2 -9.8 24.0 -1.0 177 177 A E H X>S+ 0 0 0 -4,-2.1 4,-1.4 -5,-0.2 5,-0.8 0.931 112.1 45.1 -59.6 -42.0 -8.2 25.7 -4.0 178 178 A F H <5S+ 0 0 37 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.899 109.3 56.5 -66.2 -38.6 -6.0 22.6 -4.5 179 179 A Y H <5S+ 0 0 92 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.911 109.6 44.4 -56.5 -45.6 -9.0 20.3 -3.9 180 180 A A H <5S- 0 0 45 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.770 100.4-150.9 -71.0 -28.0 -10.9 22.0 -6.8 181 181 A N T <5 + 0 0 120 -4,-1.4 2,-0.5 -5,-0.3 -3,-0.2 0.817 45.9 134.8 63.2 40.4 -7.6 21.8 -8.9 182 182 A K S > S+ 0 0 3 -2,-0.5 3,-1.6 12,-0.2 4,-1.3 0.504 78.0 138.4 88.6 5.8 -6.7 36.2 -3.8 190 190 A E T 34 + 0 0 34 1,-0.3 10,-0.2 2,-0.2 9,-0.1 0.780 65.5 60.2 -58.9 -29.3 -4.8 36.1 -7.1 191 191 A D T 34 S+ 0 0 41 1,-0.2 -1,-0.3 -58,-0.1 10,-0.1 0.739 118.8 27.0 -73.7 -19.4 -7.8 35.3 -9.2 192 192 A V T <4 S+ 0 0 1 -3,-1.6 -61,-2.1 -59,-0.1 2,-0.3 0.423 98.5 101.8-119.3 -2.9 -9.6 38.5 -8.2 193 193 A Y B < S-J 130 0C 55 -4,-1.3 -63,-0.3 1,-0.2 7,-0.2 -0.704 91.5 -19.1 -91.7 138.3 -6.8 40.9 -7.3 194 194 A T > - 0 0 13 -65,-3.2 3,-2.4 -2,-0.3 -1,-0.2 0.879 57.5-161.5 38.7 76.4 -5.6 43.7 -9.6 195 195 A P T 3 S+ 0 0 77 0, 0.0 -1,-0.1 0, 0.0 -66,-0.1 0.755 88.8 59.7 -59.6 -21.9 -6.9 42.7 -13.0 196 196 A G T 3 S+ 0 0 80 -68,-0.5 2,-0.4 1,-0.1 -2,-0.1 0.522 102.6 58.7 -82.2 -1.4 -4.4 45.1 -14.7 197 197 A I S X S- 0 0 100 -3,-2.4 3,-0.6 -4,-0.2 2,-0.2 -0.975 74.2-146.6-130.1 118.8 -1.3 43.2 -13.1 198 198 A S T 3 S+ 0 0 119 -2,-0.4 3,-0.1 1,-0.2 -4,-0.0 -0.604 72.9 19.2 -90.0 151.0 -0.4 39.6 -13.6 199 199 A G T 3 S+ 0 0 68 1,-0.3 -1,-0.2 -2,-0.2 2,-0.2 0.471 92.9 109.7 83.3 7.9 1.1 37.3 -11.1 200 200 A D < + 0 0 27 -3,-0.6 2,-0.3 -6,-0.2 -1,-0.3 -0.499 38.0 179.6-107.0 178.1 0.4 39.2 -7.9 201 201 A S - 0 0 0 -2,-0.2 -12,-0.2 -3,-0.1 3,-0.1 -0.940 42.1-100.6-162.2 175.1 -1.9 38.5 -5.0 202 202 A L S S+ 0 0 66 -14,-2.2 2,-0.3 -2,-0.3 -13,-0.2 0.864 102.4 0.5 -76.2 -40.8 -2.9 39.9 -1.6 203 203 A R E -K 188 0D 21 -15,-1.1 -15,-2.9 -3,-0.1 2,-0.4 -0.966 64.2-143.5-140.9 160.2 -0.7 37.6 0.5 204 204 A S E -K 187 0D 2 -2,-0.3 -17,-0.2 -17,-0.2 7,-0.1 -0.995 7.8-170.3-124.3 132.6 1.7 34.8 -0.2 205 205 A M S S+ 0 0 0 -19,-3.2 37,-0.2 -2,-0.4 -18,-0.2 0.789 91.9 53.2 -84.8 -29.3 2.1 31.7 2.0 206 206 A S S S+ 0 0 34 -20,-0.8 -1,-0.1 1,-0.3 -19,-0.1 0.820 133.3 7.3 -75.7 -30.0 5.2 30.5 0.2 207 207 A D > + 0 0 70 -21,-0.2 3,-2.1 1,-0.1 4,-0.3 -0.549 67.0 177.2-149.4 77.6 7.0 33.9 0.6 208 208 A P G > >S+ 0 0 0 0, 0.0 5,-1.9 0, 0.0 3,-1.8 0.833 77.2 70.5 -54.1 -28.7 5.0 36.2 2.9 209 209 A A G > 5S+ 0 0 47 1,-0.3 3,-1.9 3,-0.2 6,-0.0 0.724 76.6 79.9 -66.0 -19.2 7.7 38.8 2.7 210 210 A K G < 5S+ 0 0 113 -3,-2.1 -1,-0.3 1,-0.3 -7,-0.0 0.821 104.7 33.6 -56.1 -28.8 6.8 39.5 -0.9 211 211 A Y G < 5S- 0 0 66 -3,-1.8 -1,-0.3 -4,-0.3 -2,-0.2 0.038 128.6 -90.4-119.4 27.3 4.0 41.7 0.4 212 212 A G T < 5S+ 0 0 66 -3,-1.9 -3,-0.2 1,-0.3 -2,-0.1 0.630 83.1 134.6 84.0 13.0 5.7 43.0 3.5 213 213 A D < - 0 0 21 -5,-1.9 -1,-0.3 -6,-0.1 -2,-0.1 -0.756 58.9-104.9 -99.7 147.5 4.5 40.2 5.9 214 214 A P - 0 0 9 0, 0.0 25,-0.2 0, 0.0 3,-0.1 -0.321 25.1-173.5 -67.4 149.4 6.8 38.5 8.4 215 215 A D S S+ 0 0 14 1,-0.2 2,-0.3 -7,-0.1 18,-0.0 0.058 72.8 45.9-126.9 21.1 8.2 35.1 7.8 216 216 A H S > S- 0 0 42 98,-0.1 3,-2.1 1,-0.1 98,-0.2 -0.943 82.3-119.5-160.1 142.3 9.9 34.7 11.2 217 217 A Y G > S+ 0 0 60 96,-3.0 3,-2.0 -2,-0.3 97,-0.1 0.785 110.5 66.8 -56.6 -31.8 8.8 35.4 14.7 218 218 A S G 3 S+ 0 0 84 1,-0.3 -1,-0.3 95,-0.1 96,-0.1 0.686 101.6 50.2 -66.2 -11.4 11.6 37.9 15.2 219 219 A K G < S+ 0 0 121 -3,-2.1 -1,-0.3 2,-0.1 -2,-0.2 0.169 81.7 139.6-106.7 14.9 9.9 40.0 12.6 220 220 A R < - 0 0 105 -3,-2.0 2,-0.4 1,-0.1 9,-0.1 -0.231 54.9-120.9 -63.7 150.0 6.5 39.9 14.2 221 221 A Y + 0 0 79 8,-0.2 12,-0.1 1,-0.1 -1,-0.1 -0.771 29.2 178.1 -87.0 132.0 4.4 43.1 14.3 222 222 A T + 0 0 120 -2,-0.4 -1,-0.1 -63,-0.0 7,-0.1 0.249 45.1 103.7-121.1 11.6 3.5 44.3 17.9 223 223 A G S S- 0 0 28 1,-0.1 -2,-0.0 2,-0.0 0, 0.0 -0.085 79.4-107.6 -81.7-170.6 1.6 47.5 17.1 224 224 A T S >> S+ 0 0 134 4,-0.1 4,-0.8 3,-0.1 3,-0.6 0.530 76.1 111.8-102.3 -10.9 -2.1 48.0 17.3 225 225 A Q H >> S+ 0 0 51 1,-0.2 4,-2.3 2,-0.2 3,-0.8 -0.252 81.6 16.3 -61.1 153.8 -3.1 48.3 13.6 226 226 A D H 3> S- 0 0 53 1,-0.3 4,-2.6 2,-0.2 5,-0.3 0.896 137.2 -56.8 57.0 44.5 -5.1 45.4 12.1 227 227 A N H <4 S- 0 0 90 -3,-0.6 -68,-2.2 1,-0.3 -1,-0.3 0.870 114.7 -40.2 56.0 38.3 -6.2 44.0 15.5 228 228 A G H << S- 0 0 4 -3,-0.8 -1,-0.3 -4,-0.8 -2,-0.2 0.811 113.8 -53.7 78.2 32.7 -2.6 43.7 16.4 229 229 A G H >X>S+ 0 0 0 -4,-2.3 4,-2.9 3,-0.1 3,-1.5 0.797 78.1 156.6 80.3 29.9 -1.4 42.5 13.0 230 230 A V T 3<5S+ 0 0 0 -4,-2.6 4,-0.4 1,-0.3 -63,-0.1 0.815 82.0 39.7 -65.2 -29.2 -3.8 39.5 12.4 231 231 A H T 345S+ 0 0 56 -5,-0.3 -1,-0.3 2,-0.1 -4,-0.1 0.396 122.6 44.9 -91.9 2.8 -3.3 39.7 8.5 232 232 A I T X45S+ 0 0 44 -3,-1.5 3,-2.0 -6,-0.2 4,-0.2 0.802 113.7 42.1-105.9 -61.4 0.4 40.5 9.0 233 233 A N T >X5S+ 0 0 7 -4,-2.9 3,-1.5 1,-0.3 4,-0.8 0.674 95.4 81.6 -65.3 -18.3 1.7 38.0 11.6 234 234 A S H 3> S+ 0 0 1 -3,-2.0 4,-2.3 1,-0.2 -1,-0.3 0.825 89.4 57.8 -60.0 -32.1 2.6 35.1 7.5 236 236 A I H <> S+ 0 0 0 -3,-1.5 4,-1.4 -4,-0.2 -1,-0.2 0.914 114.4 36.4 -64.9 -42.2 4.7 33.4 10.2 237 237 A I H X S+ 0 0 0 -4,-0.8 4,-2.7 -3,-0.3 5,-0.2 0.873 114.0 55.9 -79.0 -37.3 2.2 30.6 10.5 238 238 A N H X S+ 0 0 2 -4,-3.1 4,-2.9 1,-0.2 -2,-0.2 0.927 108.7 49.1 -60.1 -39.3 1.4 30.5 6.8 239 239 A K H X S+ 0 0 23 -4,-2.3 4,-2.6 -5,-0.3 -1,-0.2 0.920 109.5 51.4 -64.3 -41.7 5.1 30.0 6.1 240 240 A A H X S+ 0 0 0 -4,-1.4 4,-2.6 2,-0.2 -2,-0.2 0.919 111.9 47.3 -61.7 -44.8 5.3 27.2 8.6 241 241 A A H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 5,-0.2 0.931 111.1 51.1 -60.1 -45.8 2.3 25.5 6.9 242 242 A Y H X S+ 0 0 55 -4,-2.9 4,-3.2 -37,-0.2 5,-0.4 0.925 111.6 47.6 -58.4 -46.7 3.8 25.9 3.5 243 243 A L H X S+ 0 0 3 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.908 108.2 54.8 -65.4 -40.5 7.1 24.4 4.8 244 244 A I H < S+ 0 0 0 -4,-2.6 14,-2.7 -5,-0.2 15,-0.4 0.924 119.4 34.1 -58.8 -43.2 5.3 21.4 6.4 245 245 A S H < S+ 0 0 4 -4,-2.3 14,-2.1 12,-0.2 -2,-0.2 0.957 134.8 21.1 -72.7 -51.3 3.6 20.6 3.1 246 246 A Q H < S- 0 0 80 -4,-3.2 11,-0.3 -5,-0.2 -3,-0.2 0.623 94.7-140.7 -99.2 -17.9 6.2 21.6 0.5 247 247 A G < + 0 0 12 -4,-2.3 2,-0.2 -5,-0.4 9,-0.2 0.012 31.5 152.0 75.7 174.6 9.5 21.5 2.4 248 248 A G E -L 255 0E 32 7,-1.9 7,-3.0 -5,-0.1 2,-0.5 -0.813 47.2 -90.8 151.9 175.5 12.4 23.9 2.1 249 249 A T E -L 254 0E 93 5,-0.3 2,-0.4 -2,-0.2 5,-0.2 -0.992 41.7-179.5-116.7 124.9 15.3 25.5 3.8 250 250 A H E > -L 253 0E 17 3,-2.2 3,-2.0 -2,-0.5 -2,-0.0 -0.991 69.8 -13.6-132.3 122.8 14.4 28.8 5.5 251 251 A Y T 3 S- 0 0 127 -2,-0.4 -1,-0.2 1,-0.3 3,-0.1 0.882 131.3 -53.3 46.8 41.5 16.9 30.9 7.4 252 252 A G T 3 S+ 0 0 66 1,-0.2 2,-0.5 -3,-0.0 -1,-0.3 0.394 113.7 117.0 86.8 -4.7 19.2 27.9 7.3 253 253 A V E < -L 250 0E 48 -3,-2.0 -3,-2.2 59,-0.1 2,-0.4 -0.844 54.8-145.6-105.3 122.0 16.7 25.4 8.8 254 254 A S E -L 249 0E 73 -2,-0.5 2,-0.4 -5,-0.2 -5,-0.3 -0.721 11.8-166.4 -94.7 140.1 15.7 22.5 6.5 255 255 A V E -L 248 0E 8 -7,-3.0 -7,-1.9 -2,-0.4 2,-0.6 -0.986 16.7-138.2-122.8 128.7 12.2 21.0 6.5 256 256 A V - 0 0 71 -2,-0.4 -9,-0.3 -9,-0.2 2,-0.1 -0.736 28.8-130.1 -85.0 121.5 11.2 17.8 4.9 257 257 A G - 0 0 33 -2,-0.6 -12,-0.2 -11,-0.3 -11,-0.2 -0.489 23.1-173.6 -71.6 149.8 7.8 18.3 3.2 258 258 A I - 0 0 26 -14,-2.7 4,-0.4 1,-0.2 -13,-0.2 0.327 45.7-108.9-122.1 0.6 5.0 15.8 3.9 259 259 A G > - 0 0 24 -14,-2.1 4,-2.1 -15,-0.4 -1,-0.2 0.062 30.5 -74.5 93.9 163.6 2.5 17.1 1.4 260 260 A R H > S+ 0 0 82 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.835 120.4 56.2 -67.7 -37.2 -0.8 18.9 1.5 261 261 A D H > S+ 0 0 130 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.936 111.3 44.1 -66.1 -44.8 -3.1 16.1 2.7 262 262 A K H > S+ 0 0 77 -4,-0.4 4,-2.8 2,-0.2 5,-0.2 0.896 111.1 54.8 -67.1 -37.0 -1.1 15.5 5.8 263 263 A L H X S+ 0 0 0 -4,-2.1 4,-3.0 1,-0.2 5,-0.3 0.963 110.3 47.4 -55.0 -49.2 -0.8 19.2 6.4 264 264 A G H X S+ 0 0 2 -4,-2.7 4,-2.6 1,-0.2 5,-0.3 0.908 111.6 49.2 -59.7 -42.8 -4.6 19.4 6.3 265 265 A K H X S+ 0 0 94 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.927 113.4 47.1 -66.3 -41.9 -5.1 16.5 8.6 266 266 A I H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.946 117.1 40.6 -65.4 -47.1 -2.6 17.9 11.1 267 267 A F H X S+ 0 0 0 -4,-3.0 4,-2.8 -5,-0.2 -2,-0.2 0.871 112.7 55.3 -74.1 -29.4 -4.0 21.4 11.2 268 268 A Y H X S+ 0 0 32 -4,-2.6 4,-2.1 -5,-0.3 5,-0.2 0.944 111.6 45.3 -63.5 -46.6 -7.7 20.2 11.1 269 269 A R H X S+ 0 0 67 -4,-2.2 4,-2.3 -5,-0.3 5,-0.5 0.921 113.6 48.9 -63.9 -41.5 -7.0 18.1 14.2 270 270 A A H X>S+ 0 0 0 -4,-2.4 5,-2.9 -5,-0.2 4,-2.0 0.953 112.7 48.7 -61.4 -44.8 -5.2 20.9 15.9 271 271 A L H <5S+ 0 0 1 -4,-2.8 -118,-0.4 1,-0.2 -1,-0.2 0.876 121.2 34.1 -61.3 -39.4 -8.0 23.3 15.1 272 272 A T H <5S+ 0 0 44 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.671 130.5 24.9 -98.6 -16.4 -10.8 21.0 16.3 273 273 A Q H <5S+ 0 0 104 -4,-2.3 -3,-0.2 -5,-0.2 -2,-0.2 0.617 128.8 20.7-123.4 -17.1 -9.2 19.2 19.3 274 274 A Y T <5S+ 0 0 82 -4,-2.0 -3,-0.2 -5,-0.5 -4,-0.1 0.643 90.8 88.8-127.4 -35.6 -6.3 21.3 20.8 275 275 A L < - 0 0 12 -5,-2.9 9,-0.0 12,-0.1 -120,-0.0 -0.411 52.3-167.4 -72.2 152.8 -6.5 25.0 20.0 276 276 A T > - 0 0 63 -122,-0.1 3,-1.6 -2,-0.1 -120,-0.1 -0.720 39.9 -89.0-129.4 173.1 -8.4 27.3 22.3 277 277 A P T 3 S+ 0 0 62 0, 0.0 -121,-2.9 0, 0.0 -123,-0.1 0.812 125.5 39.6 -58.4 -26.9 -9.6 30.9 22.0 278 278 A T T 3 S+ 0 0 97 -123,-0.2 -117,-0.1 -125,-0.1 -118,-0.1 0.241 80.1 144.5-109.9 15.3 -6.5 32.3 23.5 279 279 A S < - 0 0 5 -3,-1.6 -115,-0.2 -126,-0.1 2,-0.1 -0.267 32.1-157.7 -54.4 134.2 -3.9 30.0 21.8 280 280 A N > - 0 0 61 -120,-0.1 4,-2.3 -119,-0.1 5,-0.2 -0.393 37.0 -89.6-101.8-178.6 -0.6 31.8 21.0 281 281 A F H > S+ 0 0 1 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.903 127.2 51.7 -63.8 -41.5 2.0 30.7 18.4 282 282 A S H > S+ 0 0 57 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.896 110.9 49.4 -58.9 -41.0 3.9 28.5 20.9 283 283 A Q H > S+ 0 0 97 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.854 107.4 54.2 -69.4 -32.2 0.7 26.8 21.8 284 284 A L H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 5,-0.3 0.927 106.0 52.6 -65.2 -44.1 -0.1 26.2 18.2 285 285 A R H X S+ 0 0 25 -4,-2.3 4,-2.7 1,-0.2 5,-0.2 0.961 111.1 47.1 -54.0 -46.3 3.3 24.5 17.7 286 286 A A H X S+ 0 0 61 -4,-2.3 4,-2.6 1,-0.2 5,-0.2 0.907 112.3 50.1 -63.5 -41.6 2.4 22.2 20.7 287 287 A A H X S+ 0 0 7 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.896 112.3 46.6 -63.0 -40.5 -1.1 21.5 19.2 288 288 A A H X S+ 0 0 0 -4,-2.8 4,-2.8 2,-0.2 5,-0.2 0.906 112.2 50.0 -69.1 -42.6 0.3 20.7 15.8 289 289 A V H X S+ 0 0 27 -4,-2.7 4,-2.0 -5,-0.3 -2,-0.2 0.938 113.6 46.0 -60.9 -43.5 3.0 18.4 17.2 290 290 A Q H X S+ 0 0 83 -4,-2.6 4,-2.9 -5,-0.2 -2,-0.2 0.926 111.9 51.0 -66.8 -38.5 0.4 16.6 19.3 291 291 A S H X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.945 111.3 47.6 -62.0 -44.9 -1.9 16.3 16.4 292 292 A A H X>S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 5,-0.6 0.835 111.3 53.0 -65.9 -30.6 0.9 14.8 14.3 293 293 A T H X5S+ 0 0 34 -4,-2.0 4,-1.9 3,-0.2 -2,-0.2 0.935 108.7 48.4 -69.3 -45.5 1.7 12.5 17.2 294 294 A D H <5S+ 0 0 62 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.863 120.5 37.8 -57.2 -39.7 -1.9 11.2 17.4 295 295 A L H <5S+ 0 0 65 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.843 135.4 13.3 -82.2 -39.3 -2.0 10.7 13.6 296 296 A Y H <5S- 0 0 64 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.2 0.590 107.0 -96.9-124.2 -17.6 1.4 9.4 12.8 297 297 A G ><< - 0 0 29 -4,-1.9 3,-1.7 -5,-0.6 6,-0.3 0.012 36.9 -87.3 107.8 147.2 3.3 8.4 16.1 298 298 A S T 3 S+ 0 0 80 1,-0.3 -1,-0.1 -5,-0.1 -5,-0.1 0.771 125.2 46.1 -61.7 -27.1 5.8 10.3 18.2 299 299 A T T 3 S+ 0 0 136 -6,-0.1 -1,-0.3 -3,-0.1 -2,-0.1 0.242 90.4 126.6 -96.4 13.5 8.9 9.2 16.2 300 300 A S S <> S- 0 0 16 -3,-1.7 4,-2.1 1,-0.1 5,-0.1 -0.212 71.8-121.8 -76.6 158.4 7.3 9.9 12.8 301 301 A Q H > S+ 0 0 93 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.895 113.3 59.8 -59.1 -37.3 8.6 12.0 9.9 302 302 A E H > S+ 0 0 23 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.932 105.7 45.4 -59.4 -45.8 5.5 14.0 10.2 303 303 A V H > S+ 0 0 4 -6,-0.3 4,-2.1 -11,-0.2 -1,-0.2 0.938 113.1 51.2 -62.8 -44.4 6.2 15.0 13.8 304 304 A A H X S+ 0 0 37 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.880 110.1 49.9 -60.5 -40.8 9.8 15.8 12.9 305 305 A S H X S+ 0 0 0 -4,-3.1 4,-2.4 2,-0.2 -1,-0.2 0.839 106.8 52.9 -71.3 -35.5 8.7 18.0 10.0 306 306 A V H X S+ 0 0 0 -4,-2.2 4,-2.4 -5,-0.2 5,-0.2 0.944 111.9 47.5 -57.5 -46.2 6.2 20.0 12.1 307 307 A K H X S+ 0 0 88 -4,-2.1 4,-2.8 1,-0.2 -2,-0.2 0.935 111.1 50.3 -61.5 -46.1 9.0 20.7 14.6 308 308 A Q H X S+ 0 0 52 -4,-2.2 4,-2.8 2,-0.2 -1,-0.2 0.893 109.9 51.2 -58.6 -45.9 11.4 21.7 11.8 309 309 A A H X S+ 0 0 0 -4,-2.4 4,-1.3 2,-0.2 -2,-0.2 0.938 112.4 44.1 -62.7 -45.7 8.8 24.1 10.2 310 310 A F H <>S+ 0 0 0 -4,-2.4 5,-2.6 1,-0.2 3,-0.4 0.904 113.4 52.3 -69.4 -35.9 8.1 25.9 13.5 311 311 A D H ><5S+ 0 0 54 -4,-2.8 3,-1.7 1,-0.2 -2,-0.2 0.921 105.5 55.7 -57.8 -44.1 11.9 26.0 14.2 312 312 A A H 3<5S+ 0 0 1 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.829 110.8 43.3 -61.5 -29.8 12.4 27.5 10.8 313 313 A V T 3<5S- 0 0 0 -4,-1.3 -96,-3.0 -3,-0.4 -1,-0.3 0.271 118.4-108.8 -98.3 10.9 10.0 30.4 11.6 314 314 A G T < 5S+ 0 0 25 -3,-1.7 2,-0.6 -4,-0.2 -3,-0.2 0.738 71.8 138.1 76.9 20.4 11.3 31.0 15.1 315 315 A V < 0 0 3 -5,-2.6 -1,-0.2 -6,-0.1 -2,-0.2 -0.918 360.0 360.0-104.4 113.9 8.3 29.6 17.1 316 316 A K 0 0 168 -2,-0.6 -31,-0.2 -5,-0.1 -30,-0.2 -0.619 360.0 360.0-102.1 360.0 9.3 27.4 20.0