==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 11-JAN-12 4D91 . COMPND 2 MOLECULE: THERMOLYSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS THERMOPROTEOLYTICUS; . AUTHOR A.BIELA,A.HEINE,G.KLEBE . 316 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12615.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 226 71.5 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 . 21 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 9.5 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 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 85 0, 0.0 2,-0.5 0, 0.0 23,-0.0 0.000 360.0 360.0 360.0 165.5 -38.4 28.9 0.3 2 2 A T + 0 0 134 21,-0.0 2,-0.3 23,-0.0 21,-0.0 -0.767 360.0 109.2 -87.3 129.1 -40.6 25.9 -0.4 3 3 A G - 0 0 36 -2,-0.5 2,-0.4 23,-0.0 22,-0.2 -0.943 66.8 -67.7-173.4-169.1 -40.1 24.7 -4.0 4 4 A T E -A 24 0A 88 20,-1.9 20,-3.0 -2,-0.3 2,-0.2 -0.891 48.5-112.6-108.9 136.5 -38.7 22.1 -6.4 5 5 A S E +A 23 0A 74 -2,-0.4 2,-0.2 18,-0.2 18,-0.2 -0.449 46.1 167.7 -68.5 133.3 -35.0 21.6 -6.8 6 6 A T E -A 22 0A 32 16,-2.6 16,-2.4 -2,-0.2 2,-0.5 -0.793 33.1-118.4-138.7 173.7 -33.8 22.6 -10.3 7 7 A V E -A 21 0A 90 -2,-0.2 14,-0.2 14,-0.2 2,-0.2 -0.970 28.7-176.0-126.4 117.0 -30.5 23.3 -12.1 8 8 A G E -A 20 0A 1 12,-3.1 12,-2.3 -2,-0.5 2,-0.3 -0.470 13.4-139.8 -99.4 176.6 -29.7 26.6 -13.6 9 9 A V E +Ab 19 61A 21 51,-1.7 53,-3.1 10,-0.3 2,-0.3 -0.988 30.7 140.0-139.2 145.8 -26.8 27.8 -15.7 10 10 A G E -Ab 18 62A 0 8,-2.1 8,-2.4 -2,-0.3 2,-0.4 -0.919 43.5 -94.2-163.5-169.3 -24.8 31.0 -15.6 11 11 A R E -A 17 0A 104 51,-2.0 60,-0.2 -2,-0.3 6,-0.2 -0.984 32.3-140.3-129.4 133.1 -21.5 32.7 -15.9 12 12 A G > - 0 0 2 4,-2.7 3,-2.2 -2,-0.4 56,-0.2 -0.142 40.2 -80.5 -84.7-176.5 -19.3 33.7 -13.0 13 13 A V T 3 S+ 0 0 30 55,-0.6 122,-0.1 1,-0.3 55,-0.1 0.819 129.2 50.2 -54.5 -36.3 -17.1 36.8 -12.3 14 14 A L T 3 S- 0 0 86 54,-0.1 -1,-0.3 121,-0.1 -2,-0.0 0.318 122.1-103.3 -89.9 9.8 -14.3 35.5 -14.5 15 15 A G S < S+ 0 0 44 -3,-2.2 2,-0.3 1,-0.3 -2,-0.1 0.593 74.4 142.3 82.9 11.7 -16.6 34.7 -17.4 16 16 A D - 0 0 60 1,-0.0 -4,-2.7 -5,-0.0 2,-0.3 -0.671 48.5-127.1 -89.8 138.9 -16.7 31.0 -16.9 17 17 A Q E +A 11 0A 127 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.2 -0.648 36.4 164.6 -86.4 138.9 -19.9 29.0 -17.4 18 18 A K E -A 10 0A 18 -8,-2.4 -8,-2.1 -2,-0.3 2,-0.3 -0.994 36.0-115.8-150.7 152.0 -21.2 26.8 -14.6 19 19 A N E -A 9 0A 104 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.3 -0.667 31.9-164.1 -83.4 145.1 -24.3 24.9 -13.5 20 20 A I E -A 8 0A 2 -12,-2.3 -12,-3.1 -2,-0.3 2,-0.5 -0.996 21.9-117.9-133.6 141.1 -25.9 26.0 -10.2 21 21 A N E +A 7 0A 41 -2,-0.4 -14,-0.2 -14,-0.2 2,-0.2 -0.640 43.8 170.6 -76.7 122.8 -28.5 24.4 -7.9 22 22 A T E -A 6 0A 1 -16,-2.4 -16,-2.6 -2,-0.5 2,-0.4 -0.667 29.4-126.2-126.2 177.4 -31.6 26.5 -7.7 23 23 A T E -AC 5 29A 0 6,-1.9 6,-3.2 -18,-0.2 2,-0.6 -0.998 19.0-142.8-131.3 131.3 -35.2 26.2 -6.3 24 24 A Y E +AC 4 28A 94 -20,-3.0 -20,-1.9 -2,-0.4 4,-0.2 -0.842 40.6 135.9-103.4 123.5 -38.3 26.9 -8.4 25 25 A S S S- 0 0 49 2,-2.9 2,-2.6 -2,-0.6 -2,-0.0 -0.618 95.2 -48.3-158.5 89.3 -41.4 28.6 -7.0 26 26 A T S S+ 0 0 111 -2,-0.1 2,-0.2 32,-0.0 -2,-0.1 -0.356 140.3 36.7 71.2 -60.4 -42.7 31.1 -9.4 27 27 A Y S S- 0 0 114 -2,-2.6 -2,-2.9 -4,-0.1 2,-0.6 -0.705 94.3-110.4-104.8 168.4 -39.2 32.4 -9.7 28 28 A Y E -CD 24 57A 56 29,-3.2 29,-2.2 -2,-0.2 2,-0.3 -0.910 39.5-159.0 -98.5 120.1 -35.9 30.4 -9.7 29 29 A Y E -CD 23 56A 49 -6,-3.2 2,-2.3 -2,-0.6 -6,-1.9 -0.730 28.1-114.1-103.0 148.6 -34.1 31.2 -6.5 30 30 A L S S+ 0 0 0 25,-2.0 11,-2.2 11,-0.3 2,-0.4 -0.552 72.1 129.5 -76.4 78.8 -30.4 30.8 -5.6 31 31 A Q E -E 40 0B 9 -2,-2.3 2,-0.7 9,-0.2 9,-0.2 -0.956 44.2-159.9-138.5 113.0 -31.2 28.1 -3.1 32 32 A D E +E 39 0B 2 7,-2.7 7,-1.7 -2,-0.4 3,-0.5 -0.870 11.5 178.7 -97.8 110.7 -29.3 24.8 -3.3 33 33 A N + 0 0 58 -2,-0.7 -1,-0.1 -11,-0.3 5,-0.1 0.417 66.7 81.7 -91.5 1.6 -31.2 22.0 -1.5 34 34 A T S S+ 0 0 82 1,-0.1 2,-0.5 5,-0.1 -1,-0.2 0.562 83.7 62.8 -85.3 -10.2 -28.6 19.4 -2.4 35 35 A R S > S- 0 0 47 -3,-0.5 3,-2.3 4,-0.0 -1,-0.1 -0.932 111.3 -65.4-125.1 111.7 -26.2 20.3 0.4 36 36 A G T 3 S- 0 0 30 -2,-0.5 3,-0.1 1,-0.3 62,-0.1 -0.219 112.9 -17.1 55.1-134.1 -27.1 20.0 4.1 37 37 A N T 3 S- 0 0 109 60,-1.3 -1,-0.3 1,-0.3 62,-0.2 0.120 119.1 -77.8 -93.1 21.7 -29.8 22.4 5.1 38 38 A G < - 0 0 2 -3,-2.3 62,-2.3 60,-0.1 2,-0.5 0.046 29.3-112.5 108.7 150.5 -29.3 24.5 2.0 39 39 A I E -Ef 32 100B 0 -7,-1.7 -7,-2.7 60,-0.2 2,-0.4 -0.995 35.5-170.6-117.6 124.2 -27.1 27.1 0.5 40 40 A F E -Ef 31 101B 19 60,-2.9 62,-2.3 -2,-0.5 2,-0.4 -0.960 7.8-164.2-122.6 131.4 -28.8 30.5 0.0 41 41 A T E - f 0 102B 0 -11,-2.2 14,-2.8 -2,-0.4 -11,-0.3 -0.947 11.3-166.4-121.5 136.5 -27.5 33.5 -1.9 42 42 A Y E -Gf 54 103B 26 60,-3.2 62,-2.3 -2,-0.4 2,-0.6 -0.803 20.9-125.1-123.7 157.4 -28.9 37.0 -1.5 43 43 A D E -Gf 53 104B 22 10,-2.8 10,-2.1 -2,-0.3 62,-0.2 -0.911 13.8-172.6-103.8 118.2 -28.8 40.3 -3.2 44 44 A A > - 0 0 5 60,-2.8 3,-2.3 -2,-0.6 5,-0.3 0.505 30.6-140.9 -87.4 -4.0 -27.8 43.3 -1.0 45 45 A K T 3 - 0 0 110 59,-0.3 61,-0.1 1,-0.3 60,-0.1 0.778 62.4 -58.5 56.7 35.7 -28.6 45.7 -3.9 46 46 A Y T 3 S+ 0 0 106 59,-2.4 -1,-0.3 1,-0.3 60,-0.2 0.527 116.9 106.1 71.1 8.2 -25.6 48.0 -3.2 47 47 A R S < S- 0 0 186 -3,-2.3 60,-2.2 58,-0.3 -1,-0.3 -0.459 74.0-125.7-108.6-177.0 -26.8 48.6 0.3 48 48 A T + 0 0 80 58,-0.2 2,-0.4 -2,-0.2 -3,-0.1 0.340 69.7 113.4-117.2 6.4 -25.5 47.4 3.7 49 49 A T S S- 0 0 108 -5,-0.3 -2,-0.2 2,-0.1 58,-0.1 -0.661 70.4 -99.8 -76.3 131.9 -28.7 45.9 5.2 50 50 A L S S- 0 0 52 -2,-0.4 -2,-0.1 1,-0.2 71,-0.0 -0.894 81.5 -5.6-120.7 148.2 -28.3 42.2 5.5 51 51 A P S S- 0 0 43 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.993 81.2-168.7 -83.9 -9.7 -28.9 39.6 4.2 52 52 A G - 0 0 34 -8,-0.1 2,-0.4 -10,-0.1 -8,-0.2 -0.741 48.1 -19.2 93.0-149.9 -31.1 41.5 1.6 53 53 A S E -G 43 0B 51 -10,-2.1 -10,-2.8 -2,-0.3 -8,-0.1 -0.802 67.2-108.4-102.8 134.5 -33.4 39.5 -0.8 54 54 A L E -G 42 0B 31 -2,-0.4 -12,-0.3 -12,-0.2 2,-0.2 -0.347 55.0 -96.2 -54.6 131.1 -33.1 35.8 -1.6 55 55 A W - 0 0 10 -14,-2.8 -25,-2.0 -25,-0.3 2,-0.4 -0.348 48.8-170.8 -65.0 121.4 -31.8 35.9 -5.2 56 56 A A E -D 29 0A 47 -27,-0.2 2,-0.4 -2,-0.2 -27,-0.2 -0.924 7.4-178.0-117.4 135.9 -34.7 35.5 -7.6 57 57 A D E -D 28 0A 23 -29,-2.2 -29,-3.2 -2,-0.4 3,-0.1 -0.997 23.9-143.1-137.0 137.0 -34.5 35.0 -11.4 58 58 A A S S+ 0 0 75 -2,-0.4 -1,-0.1 -31,-0.2 -29,-0.1 0.806 95.4 20.4 -68.4 -32.6 -37.2 34.7 -13.9 59 59 A D S S- 0 0 96 2,-0.3 -1,-0.2 -31,-0.1 3,-0.1 0.360 96.1-113.0-128.1 6.6 -35.7 32.0 -16.2 60 60 A N S S+ 0 0 14 1,-0.2 -51,-1.7 -32,-0.2 2,-0.5 0.678 81.7 117.1 69.1 16.7 -33.0 30.1 -14.4 61 61 A Q E -b 9 0A 82 -53,-0.2 -2,-0.3 -51,-0.0 2,-0.3 -0.978 43.7-172.0-116.8 128.1 -30.3 31.5 -16.6 62 62 A F E +b 10 0A 0 -53,-3.1 -51,-2.0 -2,-0.5 9,-0.1 -0.480 40.3 122.4-123.6 61.7 -27.7 33.7 -14.9 63 63 A F + 0 0 65 -53,-0.3 -1,-0.1 -2,-0.3 2,-0.1 0.368 39.5 112.5-104.3 1.8 -25.6 35.3 -17.7 64 64 A A S >> S- 0 0 50 -3,-0.2 3,-1.2 1,-0.1 4,-1.0 -0.478 75.9-121.0 -75.0 148.0 -26.1 39.0 -16.8 65 65 A S G >4 S+ 0 0 114 1,-0.3 3,-0.8 2,-0.2 -1,-0.1 0.899 116.0 55.1 -51.4 -43.0 -23.2 41.0 -15.6 66 66 A Y G 34 S+ 0 0 71 1,-0.2 4,-0.4 2,-0.1 -1,-0.3 0.749 104.8 55.4 -64.3 -24.3 -25.1 41.7 -12.4 67 67 A D G X> S+ 0 0 16 -3,-1.2 4,-2.3 1,-0.2 3,-0.7 0.754 85.0 84.8 -78.2 -27.1 -25.6 38.0 -11.9 68 68 A A H S+ 0 0 4 0, 0.0 4,-2.3 0, 0.0 -1,-0.3 0.858 113.9 49.7 -61.9 -33.1 -21.0 37.6 -8.3 70 70 A A H <> S+ 0 0 0 -3,-0.7 4,-2.4 -4,-0.4 5,-0.3 0.904 107.3 54.4 -68.3 -43.4 -24.1 35.7 -7.1 71 71 A V H X S+ 0 0 0 -4,-2.3 4,-2.6 -60,-0.2 5,-0.2 0.950 114.2 41.1 -54.6 -49.3 -23.3 32.8 -9.4 72 72 A D H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 5,-0.4 0.894 112.0 52.9 -71.5 -40.9 -19.8 32.5 -7.9 73 73 A A H X S+ 0 0 0 -4,-2.3 4,-1.4 -5,-0.2 -1,-0.2 0.925 115.6 42.9 -56.8 -42.7 -20.8 33.0 -4.3 74 74 A H H X S+ 0 0 3 -4,-2.4 4,-1.4 2,-0.2 -2,-0.2 0.938 118.0 43.6 -69.9 -48.7 -23.4 30.3 -4.6 75 75 A Y H X S+ 0 0 96 -4,-2.6 4,-1.9 -5,-0.3 -2,-0.2 0.913 114.6 47.6 -67.4 -45.3 -21.2 27.8 -6.6 76 76 A Y H X S+ 0 0 25 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.798 106.0 57.9 -71.9 -27.9 -18.1 28.3 -4.5 77 77 A A H X S+ 0 0 0 -4,-1.4 4,-2.4 -5,-0.4 -1,-0.2 0.902 107.6 50.3 -62.5 -38.1 -20.0 27.9 -1.2 78 78 A G H X S+ 0 0 0 -4,-1.4 4,-2.6 2,-0.2 -2,-0.2 0.914 109.6 48.8 -64.4 -44.3 -21.0 24.5 -2.7 79 79 A V H X S+ 0 0 14 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.919 112.5 48.5 -60.7 -43.6 -17.4 23.6 -3.5 80 80 A T H X S+ 0 0 2 -4,-2.5 4,-2.3 2,-0.2 5,-0.2 0.902 110.6 51.0 -65.0 -41.3 -16.3 24.6 0.1 81 81 A Y H X S+ 0 0 16 -4,-2.4 4,-2.2 1,-0.2 11,-0.3 0.931 111.0 49.5 -57.2 -45.6 -19.2 22.6 1.5 82 82 A D H X S+ 0 0 39 -4,-2.6 4,-3.2 1,-0.2 5,-0.4 0.902 108.5 52.9 -63.2 -42.8 -18.0 19.6 -0.6 83 83 A Y H X>S+ 0 0 10 -4,-2.5 4,-2.6 1,-0.2 5,-0.7 0.961 111.6 44.3 -56.4 -53.5 -14.4 20.0 0.6 84 84 A Y H X5S+ 0 0 7 -4,-2.3 6,-2.7 1,-0.2 4,-1.1 0.879 119.2 42.9 -63.8 -36.6 -15.3 19.9 4.3 85 85 A K H X5S+ 0 0 90 -4,-2.2 4,-1.0 4,-0.3 -2,-0.2 0.943 121.1 37.6 -73.0 -49.7 -17.7 17.0 3.9 86 86 A N H <5S+ 0 0 100 -4,-3.2 -2,-0.2 -5,-0.2 -3,-0.2 0.853 128.0 32.0 -73.1 -35.0 -15.6 14.8 1.5 87 87 A V H <5S+ 0 0 53 -4,-2.6 -3,-0.2 -5,-0.4 -2,-0.1 0.850 135.0 20.1 -94.4 -38.1 -12.2 15.5 3.0 88 88 A H H < S- 0 0 3 -2,-0.9 3,-0.8 -11,-0.3 7,-0.1 -0.007 93.3 -56.5 58.4-172.8 -21.2 22.5 6.9 93 93 A Y T 3 S+ 0 0 24 5,-0.3 58,-0.2 1,-0.2 -1,-0.2 0.760 138.4 44.5 -75.5 -24.8 -19.4 24.9 9.2 94 94 A D T 3 S- 0 0 44 -3,-0.2 -1,-0.2 4,-0.1 -2,-0.2 0.423 108.8-118.7 -96.0 -1.0 -21.1 23.9 12.5 95 95 A G S < S+ 0 0 33 -3,-0.8 -4,-0.3 -4,-0.5 -3,-0.2 0.461 101.6 82.3 76.6 0.4 -20.7 20.2 11.8 96 96 A N S S- 0 0 124 -5,-0.1 -4,-0.2 -6,-0.1 -3,-0.1 -0.037 113.4 -95.5-127.2 32.5 -24.5 19.9 11.8 97 97 A N - 0 0 36 -6,-2.4 -60,-1.3 1,-0.2 -5,-0.2 0.787 54.0-172.0 62.0 34.2 -25.4 21.0 8.3 98 98 A A - 0 0 16 -7,-0.5 -5,-0.3 1,-0.1 -1,-0.2 -0.266 34.4 -97.7 -52.1 139.9 -26.1 24.7 9.2 99 99 A A - 0 0 17 -62,-0.2 2,-0.6 -63,-0.1 -60,-0.2 -0.362 35.1-136.3 -56.9 136.6 -27.6 26.6 6.2 100 100 A I E -f 39 0B 6 -62,-2.3 -60,-2.9 -3,-0.1 2,-0.4 -0.891 24.1-171.9-102.6 118.5 -24.9 28.6 4.4 101 101 A R E +f 40 0B 89 -2,-0.6 19,-2.9 17,-0.3 2,-0.4 -0.911 6.8 179.4-116.4 137.0 -26.0 32.1 3.5 102 102 A S E -fh 41 120B 0 -62,-2.3 -60,-3.2 -2,-0.4 2,-0.4 -0.995 12.0-159.2-133.4 140.4 -24.2 34.7 1.3 103 103 A S E -fh 42 121B 0 17,-2.1 19,-2.4 -2,-0.4 2,-0.2 -0.971 13.0-170.6-116.5 134.9 -25.0 38.2 0.3 104 104 A V E +f 43 0B 0 -62,-2.3 -60,-2.8 -2,-0.4 -59,-0.3 -0.683 63.1 45.6-116.2 173.4 -23.4 39.8 -2.8 105 105 A H S S+ 0 0 8 17,-0.4 -59,-2.4 -2,-0.2 2,-0.5 0.883 74.7 178.7 57.1 40.9 -23.4 43.4 -4.1 106 106 A Y - 0 0 36 16,-2.1 18,-0.5 -3,-0.2 4,-0.4 -0.645 49.8 -37.8 -76.5 121.6 -22.7 44.6 -0.6 107 107 A S S S- 0 0 34 -60,-2.2 2,-0.4 -2,-0.5 -60,-0.1 -0.073 92.1 -59.1 59.6-161.5 -22.4 48.4 -0.5 108 108 A Q S S- 0 0 157 1,-0.1 3,-0.1 15,-0.1 18,-0.1 -0.983 110.3 -10.9-124.1 128.7 -20.7 50.4 -3.3 109 109 A G S S+ 0 0 40 -2,-0.4 2,-0.6 16,-0.4 17,-0.3 0.781 83.6 174.2 58.1 29.8 -17.1 49.9 -4.4 110 110 A Y - 0 0 73 -4,-0.4 15,-1.8 15,-0.4 2,-1.2 -0.583 22.0-158.6 -79.5 113.2 -16.6 47.7 -1.3 111 111 A N + 0 0 53 -2,-0.6 2,-0.3 -3,-0.1 -1,-0.1 -0.287 60.9 57.8 -89.3 50.4 -13.1 46.2 -1.5 112 112 A N - 0 0 76 -2,-1.2 11,-2.6 2,-0.0 2,-0.3 -0.982 56.2-148.5-163.9 172.0 -13.6 43.3 0.9 113 113 A A E +I 122 0B 3 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.975 25.9 171.4-147.8 147.6 -15.5 40.2 1.8 114 114 A F E -I 121 0B 44 7,-2.4 7,-2.0 -2,-0.3 2,-0.5 -1.000 39.1-120.7-158.5 151.8 -16.2 38.8 5.2 115 115 A W E -I 120 0B 23 -2,-0.3 5,-0.2 5,-0.2 -13,-0.0 -0.880 26.5-163.8 -86.2 126.1 -18.0 36.3 7.5 116 116 A N - 0 0 69 3,-2.7 4,-0.1 -2,-0.5 -1,-0.1 0.204 53.0 -89.7-100.6 15.5 -20.1 38.4 9.8 117 117 A G S S+ 0 0 44 2,-0.2 3,-0.1 1,-0.0 -2,-0.0 0.166 124.5 38.6 96.4 -15.9 -20.8 35.7 12.4 118 118 A S S S- 0 0 83 1,-0.4 -17,-0.3 -17,-0.0 2,-0.3 0.503 121.6 -1.6-135.0 -22.7 -23.9 34.6 10.7 119 119 A Q S S- 0 0 12 -19,-0.1 -3,-2.7 -5,-0.0 -1,-0.4 -0.984 71.2 -88.9-166.5 165.4 -23.3 34.7 6.9 120 120 A M E -hI 102 115B 0 -19,-2.9 -17,-2.1 -2,-0.3 2,-0.4 -0.621 34.4-165.7 -85.2 147.3 -20.9 35.6 4.1 121 121 A V E -hI 103 114B 0 -7,-2.0 -7,-2.4 -2,-0.2 2,-0.5 -0.998 1.5-165.6-138.3 129.8 -20.8 39.1 2.7 122 122 A Y E - I 0 113B 1 -19,-2.4 -16,-2.1 -2,-0.4 -17,-0.4 -0.960 7.8-152.4-125.2 122.1 -19.1 40.1 -0.6 123 123 A G - 0 0 1 -11,-2.6 10,-1.5 -2,-0.5 11,-0.4 -0.361 20.8-131.2 -73.1 163.7 -18.3 43.6 -1.9 124 124 A D - 0 0 24 -18,-0.5 3,-0.2 8,-0.2 -13,-0.1 0.512 44.2-130.5 -88.2 -9.6 -18.1 44.2 -5.7 125 125 A G - 0 0 8 -15,-1.8 -16,-0.4 -13,-0.2 -15,-0.4 -0.080 23.8 -89.1 74.6 172.7 -14.8 45.9 -5.4 126 126 A D - 0 0 83 -17,-0.3 -1,-0.2 5,-0.1 5,-0.1 0.345 56.3-110.9 -99.5 4.7 -14.1 49.3 -7.0 127 127 A G S S+ 0 0 47 3,-2.4 4,-0.1 -3,-0.2 -2,-0.1 0.376 109.2 61.1 83.8 -4.4 -12.9 47.7 -10.2 128 128 A Q S S+ 0 0 66 2,-0.3 68,-0.4 67,-0.1 3,-0.1 0.712 114.2 23.6-116.7 -54.8 -9.3 48.8 -9.6 129 129 A T S S+ 0 0 55 1,-0.3 65,-3.2 65,-0.2 2,-0.3 0.893 136.8 5.0 -79.1 -42.6 -8.2 47.2 -6.3 130 130 A F B -J 193 0C 10 63,-0.3 -3,-2.4 64,-0.1 -2,-0.3 -0.977 55.0-148.2-137.6 152.9 -10.8 44.3 -6.6 131 131 A I S S- 0 0 38 61,-2.2 4,-0.1 -2,-0.3 -5,-0.1 -0.612 74.9 -44.3 -99.9 174.6 -13.4 42.9 -8.9 132 132 A P > - 0 0 28 0, 0.0 3,-1.9 0, 0.0 -8,-0.2 -0.150 61.6-139.7 -51.1 127.0 -16.3 41.2 -7.2 133 133 A L G > S+ 0 0 4 -10,-1.5 3,-1.9 1,-0.3 7,-0.2 0.683 92.7 72.9 -71.1 -21.6 -14.7 39.2 -4.5 134 134 A S G 3 S+ 0 0 0 -11,-0.4 -1,-0.3 1,-0.3 -58,-0.2 0.591 80.4 80.9 -65.8 -7.3 -16.8 36.0 -4.7 135 135 A G G < S+ 0 0 0 -3,-1.9 2,-0.7 -4,-0.1 -1,-0.3 0.638 79.0 77.5 -69.1 -15.2 -14.9 35.4 -8.0 136 136 A G <> - 0 0 0 -3,-1.9 4,-2.5 1,-0.2 3,-0.2 -0.861 64.0-163.5-103.5 111.0 -12.0 34.0 -5.9 137 137 A I H > S+ 0 0 9 -2,-0.7 4,-2.6 1,-0.2 5,-0.2 0.877 94.6 53.7 -61.2 -34.8 -12.6 30.5 -4.6 138 138 A D H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.876 108.6 49.9 -66.7 -34.1 -9.8 31.0 -2.1 139 139 A V H > S+ 0 0 14 -3,-0.2 4,-2.5 2,-0.2 5,-0.2 0.935 111.8 47.5 -65.7 -48.7 -11.5 34.1 -0.8 140 140 A V H X S+ 0 0 0 -4,-2.5 4,-2.4 -7,-0.2 5,-0.2 0.952 117.0 42.5 -57.3 -51.0 -14.9 32.3 -0.5 141 141 A A H X S+ 0 0 0 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.872 110.8 57.1 -67.6 -36.6 -13.3 29.4 1.3 142 142 A H H X S+ 0 0 8 -4,-2.4 4,-1.1 -5,-0.2 -2,-0.2 0.970 111.9 41.3 -54.5 -54.9 -11.1 31.6 3.5 143 143 A E H >X S+ 0 0 21 -4,-2.5 4,-0.9 1,-0.2 3,-0.5 0.904 113.2 51.7 -71.0 -35.7 -14.1 33.5 4.8 144 144 A L H >X S+ 0 0 5 -4,-2.4 4,-1.5 1,-0.2 3,-0.5 0.852 103.3 61.5 -63.7 -30.1 -16.3 30.3 5.3 145 145 A T H 3X S+ 0 0 0 -4,-2.0 4,-2.8 1,-0.2 -1,-0.2 0.836 93.0 63.6 -66.0 -29.9 -13.4 28.8 7.2 146 146 A H H <>S+ 0 0 0 -4,-2.8 5,-2.9 1,-0.2 3,-1.2 0.915 107.5 54.7 -62.3 -42.8 -13.1 28.3 13.3 150 150 A D H 3<5S+ 0 0 76 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.851 111.2 46.1 -61.0 -32.1 -15.8 30.2 15.2 151 151 A Y H 3<5S+ 0 0 129 -4,-1.8 -1,-0.3 -58,-0.2 -2,-0.2 0.517 126.8 24.2 -86.5 -4.9 -17.6 26.9 15.9 152 152 A T T <<5S+ 0 0 44 -3,-1.2 -3,-0.2 -4,-0.6 120,-0.1 0.449 133.5 7.1-122.7 -99.9 -14.5 25.1 16.9 153 153 A A T 5S- 0 0 5 118,-0.4 -3,-0.2 123,-0.1 3,-0.1 0.865 77.3-152.0 -59.0 -38.0 -11.3 26.6 18.3 154 154 A G < - 0 0 23 -5,-2.9 -4,-0.2 1,-0.2 -1,-0.1 0.806 14.8-160.3 68.6 31.3 -13.0 30.0 18.5 155 155 A L - 0 0 4 -6,-0.2 -1,-0.2 1,-0.1 123,-0.2 -0.168 21.0-115.2 -49.0 120.6 -9.6 31.8 18.1 156 156 A I - 0 0 83 121,-3.0 2,-2.1 120,-0.1 9,-0.3 -0.346 24.2-120.6 -61.4 136.8 -10.0 35.4 19.4 157 157 A Y S S+ 0 0 84 5,-0.1 2,-0.3 -3,-0.1 -1,-0.1 -0.319 80.9 80.7 -84.1 60.7 -9.6 37.8 16.5 158 158 A Q S >> S- 0 0 89 -2,-2.1 4,-2.1 70,-0.1 3,-0.5 -0.982 88.4 -20.5-158.8 148.1 -6.6 39.8 18.0 159 159 A N H 3> S- 0 0 93 68,-2.5 4,-2.1 -2,-0.3 5,-0.2 -0.126 120.9 -13.5 52.1-139.9 -2.8 39.4 18.3 160 160 A E H 3> S+ 0 0 41 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.899 139.6 50.4 -67.8 -40.6 -1.4 35.9 18.0 161 161 A S H <> S+ 0 0 15 -3,-0.5 4,-2.4 1,-0.2 -1,-0.2 0.900 112.3 50.5 -62.0 -37.4 -4.7 34.0 18.2 162 162 A G H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.879 107.7 51.6 -65.9 -39.2 -6.1 36.3 15.6 163 163 A A H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.864 110.6 48.8 -65.8 -35.2 -3.1 35.7 13.3 164 164 A I H X S+ 0 0 0 -4,-2.1 4,-2.9 2,-0.2 5,-0.2 0.923 108.8 54.1 -66.8 -44.6 -3.6 32.0 13.7 165 165 A N H X S+ 0 0 2 -4,-2.4 4,-1.7 -9,-0.3 -2,-0.2 0.941 111.8 44.2 -52.0 -51.9 -7.3 32.5 12.9 166 166 A E H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.907 113.1 50.9 -58.6 -45.1 -6.3 34.4 9.7 167 167 A A H X S+ 0 0 0 -4,-2.5 4,-3.2 2,-0.2 -2,-0.2 0.896 106.0 54.5 -63.8 -41.4 -3.7 31.7 8.7 168 168 A I H X S+ 0 0 0 -4,-2.9 4,-2.8 1,-0.2 5,-0.3 0.927 110.0 48.3 -56.5 -44.4 -6.2 28.9 9.2 169 169 A S H X S+ 0 0 0 -4,-1.7 4,-2.0 -5,-0.2 -2,-0.2 0.873 112.7 47.3 -65.4 -37.2 -8.5 30.6 6.8 170 170 A D H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.905 112.9 50.5 -69.0 -41.6 -5.7 31.2 4.2 171 171 A I H X S+ 0 0 0 -4,-3.2 4,-2.6 2,-0.2 -2,-0.2 0.959 116.7 37.9 -61.2 -54.3 -4.6 27.5 4.6 172 172 A F H X S+ 0 0 0 -4,-2.8 4,-2.5 2,-0.2 5,-0.2 0.854 112.9 57.1 -71.9 -29.5 -8.0 26.1 4.0 173 173 A G H X S+ 0 0 0 -4,-2.0 4,-2.1 -5,-0.3 -1,-0.2 0.940 111.9 44.3 -59.6 -43.0 -8.9 28.6 1.4 174 174 A T H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.916 111.1 51.7 -69.5 -42.3 -5.8 27.4 -0.4 175 175 A L H X S+ 0 0 10 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.879 109.8 50.6 -63.8 -35.3 -6.6 23.8 0.1 176 176 A V H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.921 107.3 53.8 -66.1 -42.3 -10.1 24.3 -1.2 177 177 A E H X>S+ 0 0 0 -4,-2.1 4,-1.4 1,-0.2 5,-0.8 0.902 111.3 45.6 -55.0 -43.3 -8.6 26.0 -4.3 178 178 A F H <5S+ 0 0 30 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.876 109.6 55.5 -67.2 -37.9 -6.4 23.0 -4.9 179 179 A Y H <5S+ 0 0 90 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.900 109.2 45.7 -60.1 -42.8 -9.4 20.7 -4.3 180 180 A A H <5S- 0 0 43 -4,-2.6 -1,-0.2 -5,-0.1 -2,-0.2 0.777 101.0-150.8 -72.4 -26.4 -11.3 22.6 -7.1 181 181 A N T <5 + 0 0 119 -4,-1.4 2,-0.6 -5,-0.2 -3,-0.2 0.803 46.1 134.1 64.3 36.5 -8.1 22.2 -9.1 182 182 A K S > S+ 0 0 0 -2,-0.5 3,-1.8 12,-0.2 4,-1.6 0.510 77.2 140.8 83.9 7.9 -7.0 36.4 -3.8 190 190 A E T 34 + 0 0 34 1,-0.3 10,-0.1 2,-0.2 9,-0.1 0.776 65.4 61.3 -57.3 -27.6 -5.1 36.5 -7.1 191 191 A D T 34 S+ 0 0 44 1,-0.2 -1,-0.3 -58,-0.1 10,-0.1 0.721 118.7 24.4 -73.8 -21.2 -8.3 35.9 -9.2 192 192 A V T <4 S+ 0 0 1 -3,-1.8 -61,-2.2 -59,-0.1 2,-0.4 0.446 97.9 103.8-121.7 -4.8 -10.0 39.0 -8.0 193 193 A Y B < S-J 130 0C 60 -4,-1.6 -63,-0.3 1,-0.2 4,-0.2 -0.663 92.4 -19.0 -88.4 133.1 -7.2 41.4 -7.0 194 194 A T > - 0 0 14 -65,-3.2 3,-2.4 -2,-0.4 -1,-0.2 0.869 58.2-162.3 40.6 77.4 -6.0 44.3 -9.2 195 195 A P T 3 S+ 0 0 76 0, 0.0 -1,-0.1 0, 0.0 -67,-0.1 0.787 89.7 58.4 -57.5 -26.5 -7.4 43.3 -12.7 196 196 A G T 3 S+ 0 0 77 -68,-0.4 2,-0.5 1,-0.1 -2,-0.1 0.507 100.9 62.9 -81.1 -4.6 -5.0 45.8 -14.2 197 197 A I S X S- 0 0 99 -3,-2.4 3,-0.6 -4,-0.2 2,-0.2 -0.959 72.4-148.0-129.7 118.4 -1.9 44.1 -12.7 198 198 A S T 3 S+ 0 0 104 -2,-0.5 3,-0.1 1,-0.2 -4,-0.0 -0.537 73.0 18.2 -86.1 145.6 -0.8 40.6 -13.6 199 199 A G T 3 S+ 0 0 69 1,-0.3 -1,-0.2 -2,-0.2 2,-0.1 0.414 95.4 105.9 86.9 -0.8 1.0 38.1 -11.2 200 200 A D < + 0 0 28 -3,-0.6 2,-0.3 -6,-0.2 -1,-0.3 -0.421 38.6 176.1-103.1-178.5 0.2 39.7 -7.9 201 201 A S - 0 0 2 -2,-0.1 -12,-0.2 -3,-0.1 3,-0.1 -0.943 44.5 -94.1-165.7-178.4 -2.2 38.9 -5.0 202 202 A L S S- 0 0 57 -14,-2.3 2,-0.3 1,-0.3 -13,-0.1 0.884 102.2 -4.5 -75.2 -44.3 -3.2 40.1 -1.5 203 203 A R E -K 188 0D 26 -15,-0.9 -15,-2.6 -3,-0.1 2,-0.4 -0.975 61.7-139.7-146.4 157.2 -0.8 37.7 0.4 204 204 A S E -K 187 0D 1 -2,-0.3 -17,-0.2 -17,-0.2 7,-0.1 -0.988 6.9-170.2-121.6 130.4 1.6 35.0 -0.4 205 205 A M S S+ 0 0 0 -19,-3.0 37,-0.3 -2,-0.4 -18,-0.1 0.806 92.1 50.7 -80.9 -33.7 1.9 31.8 1.7 206 206 A S S S+ 0 0 33 -20,-0.7 -1,-0.1 1,-0.3 -19,-0.1 0.844 133.6 9.9 -74.5 -34.0 5.0 30.6 -0.1 207 207 A D > + 0 0 70 -21,-0.2 3,-2.2 1,-0.1 4,-0.3 -0.563 65.9 174.8-144.7 77.0 6.8 34.0 0.3 208 208 A P G > >S+ 0 0 0 0, 0.0 5,-1.9 0, 0.0 3,-1.7 0.815 78.1 69.3 -54.0 -30.8 4.9 36.3 2.7 209 209 A A G > 5S+ 0 0 47 1,-0.3 3,-2.2 3,-0.2 6,-0.0 0.712 77.7 81.0 -61.7 -22.4 7.7 38.8 2.4 210 210 A K G < 5S+ 0 0 111 -3,-2.2 -1,-0.3 1,-0.3 -7,-0.0 0.850 105.1 31.3 -52.2 -35.7 6.7 39.5 -1.2 211 211 A Y G < 5S- 0 0 68 -3,-1.7 -1,-0.3 -4,-0.3 -2,-0.2 -0.006 127.6 -94.1-114.9 29.3 4.0 41.8 0.2 212 212 A G T < 5S+ 0 0 66 -3,-2.2 -3,-0.2 1,-0.2 -2,-0.1 0.644 80.5 137.8 72.7 15.6 5.9 42.9 3.3 213 213 A D < - 0 0 21 -5,-1.9 -1,-0.2 -6,-0.1 -2,-0.1 -0.745 59.9-101.6 -92.0 144.3 4.4 40.3 5.6 214 214 A P - 0 0 12 0, 0.0 25,-0.2 0, 0.0 3,-0.1 -0.309 28.3-174.4 -65.1 144.1 6.8 38.6 8.1 215 215 A D S S+ 0 0 13 1,-0.1 2,-0.3 -7,-0.1 3,-0.1 0.067 72.7 51.3-120.4 17.6 8.1 35.1 7.4 216 216 A H S > S- 0 0 39 1,-0.1 3,-2.3 98,-0.1 98,-0.2 -0.973 80.8-125.1-155.3 140.2 9.8 34.7 10.7 217 217 A Y G > S+ 0 0 58 96,-3.1 3,-2.0 -2,-0.3 97,-0.1 0.826 109.6 65.9 -55.9 -32.7 8.7 35.2 14.3 218 218 A S G 3 S+ 0 0 87 1,-0.3 -1,-0.3 95,-0.1 96,-0.1 0.701 101.8 50.8 -63.6 -17.6 11.6 37.6 14.9 219 219 A K G < S+ 0 0 116 -3,-2.3 -1,-0.3 2,-0.1 -2,-0.2 0.177 81.1 141.0-104.5 16.1 9.9 39.9 12.4 220 220 A R < - 0 0 101 -3,-2.0 2,-0.5 1,-0.1 9,-0.1 -0.250 55.1-119.2 -63.7 145.0 6.4 39.9 14.0 221 221 A Y + 0 0 75 8,-0.2 12,-0.1 1,-0.1 -1,-0.1 -0.750 30.0 179.5 -83.5 129.2 4.4 43.1 14.1 222 222 A T + 0 0 117 -2,-0.5 -1,-0.1 -63,-0.0 7,-0.1 0.337 44.0 103.4-116.5 4.7 3.7 44.1 17.7 223 223 A G S S- 0 0 28 1,-0.1 -2,-0.0 2,-0.0 0, 0.0 0.084 78.8-108.3 -73.8-167.4 1.8 47.4 17.1 224 224 A T S >> S+ 0 0 126 4,-0.1 4,-0.7 3,-0.1 3,-0.5 0.567 77.1 109.7-106.8 -12.3 -2.0 47.9 17.5 225 225 A Q H >> S+ 0 0 138 1,-0.2 4,-2.3 2,-0.2 3,-0.9 -0.243 80.8 19.3 -62.4 153.3 -3.0 48.3 13.9 226 226 A D H 3> S- 0 0 51 1,-0.3 4,-2.5 2,-0.2 5,-0.3 0.885 137.4 -59.5 55.2 45.2 -5.1 45.6 12.2 227 227 A N H <4 S- 0 0 73 -3,-0.5 -68,-2.5 1,-0.2 -1,-0.3 0.864 114.0 -37.1 50.7 41.9 -6.1 44.1 15.6 228 228 A G H << S- 0 0 4 -3,-0.9 -1,-0.2 -4,-0.7 -2,-0.2 0.800 114.2 -58.9 78.1 29.8 -2.4 43.6 16.4 229 229 A G H >X S+ 0 0 0 -4,-2.3 4,-3.0 -5,-0.1 3,-1.1 0.863 76.3 160.5 75.2 39.9 -1.5 42.6 12.8 230 230 A V T 3< S+ 0 0 0 -4,-2.5 4,-0.4 1,-0.3 -64,-0.1 0.847 81.5 42.2 -64.8 -32.1 -3.8 39.6 12.3 231 231 A H T 34 S+ 0 0 60 -5,-0.3 -1,-0.3 2,-0.1 -4,-0.1 0.458 120.7 45.9 -89.0 -3.5 -3.4 39.9 8.5 232 232 A I T X4 S+ 0 0 45 -3,-1.1 3,-1.8 -6,-0.2 -2,-0.2 0.844 112.2 42.4-102.5 -58.8 0.3 40.6 8.9 233 233 A N T >X S+ 0 0 7 -4,-3.0 3,-1.3 1,-0.3 4,-0.9 0.605 94.3 82.5 -69.5 -11.7 1.6 38.0 11.4 234 234 A S H 3> S+ 0 0 0 -5,-0.4 4,-3.3 -4,-0.4 -1,-0.3 0.793 77.9 73.1 -59.1 -25.1 -0.5 35.3 9.7 235 235 A G H <> S+ 0 0 2 -3,-1.8 4,-2.4 1,-0.2 -1,-0.3 0.834 89.6 56.8 -58.2 -32.6 2.5 35.2 7.2 236 236 A I H <> S+ 0 0 0 -3,-1.3 4,-1.5 2,-0.2 -1,-0.2 0.934 114.1 37.6 -66.0 -45.0 4.6 33.5 9.9 237 237 A I H X S+ 0 0 0 -4,-0.9 4,-2.5 2,-0.2 5,-0.2 0.883 114.0 55.8 -74.3 -40.8 2.0 30.7 10.2 238 238 A N H X S+ 0 0 1 -4,-3.3 4,-2.5 1,-0.2 -2,-0.2 0.920 108.0 49.6 -53.7 -44.6 1.3 30.7 6.4 239 239 A K H X S+ 0 0 23 -4,-2.4 4,-2.6 -5,-0.2 -1,-0.2 0.915 109.6 51.3 -63.9 -41.8 5.0 30.1 5.7 240 240 A A H X S+ 0 0 0 -4,-1.5 4,-2.5 2,-0.2 -1,-0.2 0.923 111.5 46.6 -60.2 -45.5 5.1 27.3 8.2 241 241 A A H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.899 111.4 51.7 -65.4 -39.9 2.1 25.5 6.6 242 242 A Y H X>S+ 0 0 53 -4,-2.5 4,-3.3 -37,-0.3 5,-0.5 0.937 111.4 48.0 -59.8 -45.0 3.6 26.0 3.1 243 243 A L H X5S+ 0 0 3 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.901 108.3 53.7 -63.7 -42.2 6.9 24.5 4.4 244 244 A I H <5S+ 0 0 0 -4,-2.5 14,-2.6 -5,-0.2 15,-0.4 0.928 119.0 35.7 -57.0 -43.9 5.1 21.5 5.9 245 245 A S H <5S+ 0 0 3 -4,-2.1 14,-2.3 12,-0.2 -2,-0.2 0.956 134.1 19.5 -74.0 -53.5 3.3 20.8 2.6 246 246 A Q H <5S- 0 0 83 -4,-3.3 11,-0.3 -5,-0.2 -3,-0.2 0.593 94.0-141.9-101.7 -17.0 5.9 21.7 -0.0 247 247 A G << + 0 0 10 -4,-1.9 2,-0.2 -5,-0.5 9,-0.2 -0.041 32.4 148.5 75.5 176.4 9.2 21.6 1.9 248 248 A G E -L 255 0E 34 7,-2.1 7,-3.0 -5,-0.1 2,-0.5 -0.809 48.8 -84.7 145.1 174.4 12.2 23.9 1.4 249 249 A T E -L 254 0E 91 5,-0.3 2,-0.5 -2,-0.2 5,-0.2 -0.985 40.4-176.1-117.8 123.9 15.0 25.6 3.3 250 250 A H E > S-L 253 0E 17 3,-2.5 3,-2.0 -2,-0.5 -2,-0.0 -0.980 72.0 -14.7-129.4 121.9 14.1 28.8 5.1 251 251 A Y T 3 S- 0 0 131 -2,-0.5 -1,-0.2 1,-0.3 3,-0.1 0.884 131.7 -53.4 45.4 41.5 16.8 30.9 6.9 252 252 A G T 3 S+ 0 0 67 1,-0.2 2,-0.6 -3,-0.1 -1,-0.3 0.473 112.5 121.3 81.6 1.1 19.0 27.8 6.6 253 253 A V E < -L 250 0E 48 -3,-2.0 -3,-2.5 59,-0.1 2,-0.3 -0.885 54.0-143.4-100.8 122.0 16.5 25.4 8.2 254 254 A S E -L 249 0E 71 -2,-0.6 2,-0.4 -5,-0.2 -5,-0.3 -0.649 13.8-168.2 -91.4 138.0 15.5 22.5 6.0 255 255 A V E -L 248 0E 9 -7,-3.0 -7,-2.1 -2,-0.3 2,-0.6 -0.987 16.8-140.0-124.9 129.5 11.9 21.1 5.9 256 256 A V - 0 0 69 -2,-0.4 -9,-0.2 -9,-0.2 53,-0.1 -0.805 28.7-129.4 -86.0 117.5 10.9 17.8 4.3 257 257 A G - 0 0 32 -2,-0.6 -12,-0.2 -11,-0.3 -11,-0.2 -0.358 23.2-173.7 -69.8 146.4 7.5 18.4 2.6 258 258 A I - 0 0 24 -14,-2.6 4,-0.4 1,-0.2 -13,-0.2 0.382 45.6-107.2-120.0 -0.4 4.7 15.9 3.3 259 259 A G > - 0 0 25 -14,-2.3 4,-1.9 -15,-0.4 -1,-0.2 0.046 30.1 -76.8 93.9 163.2 2.1 17.2 0.9 260 260 A R H > S+ 0 0 93 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.866 120.0 56.8 -66.0 -43.6 -1.2 19.1 1.0 261 261 A D H > S+ 0 0 130 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.927 110.8 43.2 -58.8 -47.5 -3.5 16.4 2.1 262 262 A K H > S+ 0 0 80 -4,-0.4 4,-2.6 2,-0.2 -1,-0.2 0.871 111.0 55.9 -68.9 -35.9 -1.5 15.6 5.2 263 263 A L H X S+ 0 0 0 -4,-1.9 4,-2.5 1,-0.2 5,-0.3 0.943 109.2 48.4 -53.0 -49.3 -1.1 19.4 5.9 264 264 A G H X S+ 0 0 3 -4,-2.8 4,-2.5 1,-0.2 5,-0.2 0.909 111.4 48.5 -59.2 -45.4 -4.9 19.6 5.8 265 265 A K H X S+ 0 0 87 -4,-2.2 4,-2.3 2,-0.2 5,-0.2 0.928 113.0 47.7 -62.1 -46.1 -5.4 16.6 8.2 266 266 A I H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.942 116.8 41.1 -62.9 -49.3 -2.9 18.0 10.7 267 267 A F H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.843 113.2 53.0 -70.9 -34.4 -4.3 21.5 10.8 268 268 A Y H X S+ 0 0 32 -4,-2.5 4,-2.1 -5,-0.3 -1,-0.2 0.920 112.2 46.4 -65.2 -41.6 -7.9 20.4 10.7 269 269 A R H X>S+ 0 0 84 -4,-2.3 4,-2.2 -5,-0.2 5,-0.5 0.920 113.2 49.2 -64.3 -43.2 -7.2 18.1 13.7 270 270 A A H X>S+ 0 0 0 -4,-2.4 5,-2.8 1,-0.2 4,-1.7 0.934 113.1 47.6 -58.9 -47.3 -5.4 21.0 15.5 271 271 A L H <5S+ 0 0 1 -4,-2.7 -118,-0.4 1,-0.2 -1,-0.2 0.860 120.9 35.2 -63.0 -39.9 -8.2 23.4 14.8 272 272 A T H <5S+ 0 0 38 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.656 130.4 25.1 -94.5 -16.6 -11.0 21.0 16.0 273 273 A Q H <5S+ 0 0 119 -4,-2.2 -3,-0.2 -5,-0.2 -2,-0.2 0.666 129.3 19.9-119.6 -24.6 -9.3 19.1 18.9 274 274 A Y T < - 0 0 61 -122,-0.1 3,-1.6 -120,-0.0 -120,-0.1 -0.782 40.9 -89.4-129.9 174.3 -8.6 27.3 22.0 277 277 A P T 3 S+ 0 0 61 0, 0.0 -121,-3.0 0, 0.0 -123,-0.1 0.815 126.3 40.7 -56.9 -29.8 -9.8 30.9 21.8 278 278 A T T 3 S+ 0 0 94 -123,-0.2 -117,-0.1 -125,-0.1 -118,-0.1 0.262 80.3 143.3-105.5 11.5 -6.5 32.1 23.4 279 279 A S < - 0 0 5 -3,-1.6 -115,-0.2 -126,-0.1 2,-0.2 -0.240 31.8-159.7 -55.6 133.0 -4.0 29.9 21.6 280 280 A N > - 0 0 61 -120,-0.1 4,-2.2 -119,-0.1 5,-0.2 -0.466 36.9 -88.9-102.2-178.2 -0.7 31.6 20.7 281 281 A F H > S+ 0 0 2 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.885 126.9 50.5 -62.3 -41.7 1.9 30.6 18.1 282 282 A S H > S+ 0 0 57 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.895 111.5 49.0 -62.3 -39.1 3.9 28.4 20.5 283 283 A Q H > S+ 0 0 92 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.849 107.3 55.0 -72.0 -32.9 0.6 26.6 21.4 284 284 A L H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.922 105.9 52.9 -61.6 -44.0 -0.3 26.2 17.7 285 285 A R H X S+ 0 0 33 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.948 110.8 46.2 -55.8 -48.9 3.1 24.4 17.3 286 286 A A H X S+ 0 0 60 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.879 112.4 50.8 -61.3 -39.9 2.3 22.0 20.1 287 287 A A H X S+ 0 0 7 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.901 112.0 46.7 -64.5 -42.4 -1.2 21.4 18.8 288 288 A A H X S+ 0 0 0 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.887 112.5 49.8 -67.7 -40.2 0.1 20.6 15.3 289 289 A V H X S+ 0 0 26 -4,-2.5 4,-2.0 -5,-0.2 -2,-0.2 0.919 113.2 46.3 -64.1 -43.0 2.8 18.3 16.7 290 290 A Q H X S+ 0 0 84 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.893 112.2 51.3 -67.1 -39.1 0.3 16.5 18.8 291 291 A S H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.922 111.0 46.9 -61.7 -46.0 -2.1 16.3 15.9 292 292 A A H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 5,-0.5 0.851 111.7 52.5 -66.6 -34.7 0.6 14.8 13.6 293 293 A T H X S+ 0 0 35 -4,-2.0 4,-2.0 3,-0.2 -2,-0.2 0.921 109.7 48.4 -62.7 -46.1 1.5 12.4 16.4 294 294 A D H < S+ 0 0 61 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.930 120.0 38.1 -58.6 -46.8 -2.1 11.3 16.7 295 295 A L H < S+ 0 0 62 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.838 136.1 11.4 -76.7 -35.7 -2.4 10.8 13.0 296 296 A Y H < S- 0 0 70 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.2 0.488 106.5 -96.5-129.8 -8.5 1.0 9.3 12.0 297 297 A G >< - 0 0 29 -4,-2.0 3,-1.7 -5,-0.5 6,-0.4 0.138 34.0 -88.9 98.1 147.0 2.9 8.4 15.2 298 298 A S T 3 S+ 0 0 84 1,-0.3 -1,-0.1 -5,-0.1 -5,-0.1 0.775 125.5 48.9 -60.6 -29.6 5.5 10.1 17.3 299 299 A T T 3 S+ 0 0 138 -6,-0.1 -1,-0.3 -3,-0.1 -2,-0.1 0.379 89.5 120.8 -93.1 5.0 8.4 8.7 15.2 300 300 A S S <> S- 0 0 16 -3,-1.7 4,-1.9 1,-0.1 5,-0.1 -0.170 73.4-123.4 -70.2 158.3 6.9 9.7 11.8 301 301 A Q H > S+ 0 0 90 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.848 112.2 63.3 -60.5 -35.9 8.3 12.0 9.1 302 302 A E H > S+ 0 0 22 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.912 104.8 43.1 -60.3 -44.6 5.1 14.0 9.5 303 303 A V H > S+ 0 0 3 -6,-0.4 4,-2.2 -11,-0.2 -1,-0.2 0.937 113.9 51.1 -66.4 -46.2 5.9 14.9 13.1 304 304 A A H X S+ 0 0 39 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.893 110.5 50.4 -57.0 -40.7 9.5 15.6 12.3 305 305 A S H X S+ 0 0 0 -4,-2.9 4,-2.6 2,-0.2 -1,-0.2 0.888 106.4 53.1 -67.3 -42.3 8.4 17.9 9.4 306 306 A V H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 5,-0.2 0.931 111.5 47.8 -55.9 -45.7 6.0 19.9 11.6 307 307 A K H X S+ 0 0 92 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.938 111.5 49.1 -61.9 -48.1 8.8 20.5 14.0 308 308 A Q H X S+ 0 0 56 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.905 110.3 52.5 -55.6 -45.3 11.2 21.6 11.2 309 309 A A H X S+ 0 0 0 -4,-2.6 4,-1.5 2,-0.2 -2,-0.2 0.932 111.8 42.9 -60.0 -50.7 8.6 24.0 9.8 310 310 A F H <>S+ 0 0 0 -4,-2.1 5,-3.1 1,-0.2 -1,-0.2 0.872 113.3 53.9 -67.6 -34.7 7.9 25.8 13.0 311 311 A D H ><5S+ 0 0 55 -4,-2.4 3,-1.7 -5,-0.2 -2,-0.2 0.929 104.8 55.7 -57.0 -47.9 11.7 25.9 13.7 312 312 A A H 3<5S+ 0 0 1 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.838 110.3 43.6 -58.9 -35.0 12.2 27.5 10.3 313 313 A V T 3<5S- 0 0 0 -4,-1.5 -96,-3.1 2,-0.1 -1,-0.3 0.308 119.4-109.5 -95.5 9.6 9.8 30.3 11.1 314 314 A G T < 5S+ 0 0 21 -3,-1.7 2,-0.7 1,-0.2 -3,-0.2 0.739 70.9 140.1 76.2 24.6 11.3 30.8 14.6 315 315 A V < 0 0 4 -5,-3.1 -1,-0.2 -6,-0.1 -2,-0.1 -0.901 360.0 360.0-104.1 113.9 8.3 29.4 16.6 316 316 A K 0 0 157 -2,-0.7 -1,-0.1 -3,-0.1 -5,-0.1 0.618 360.0 360.0-103.0 360.0 9.3 27.3 19.5