==== 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 OXIDOREDUCTASE 30-JUN-04 1WLY . COMPND 2 MOLECULE: 2-HALOACRYLATE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BURKHOLDERIA SP. WS; . AUTHOR R.OMI . 322 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14360.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 243 75.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 9.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 40 12.4 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 29 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 75 23.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 3.1 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 1 0 1 1 0 1 3 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 2 2 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 2 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 1 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 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 2 A V 0 0 54 0, 0.0 19,-2.9 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 130.6 32.7 7.3 26.2 2 3 A M E +A 19 0A 51 17,-0.3 88,-2.7 319,-0.1 89,-0.4 -0.713 360.0 175.6-110.9 155.3 32.1 4.5 23.6 3 4 A A E -AB 18 89A 0 15,-2.2 15,-2.2 86,-0.2 2,-1.0 -0.968 39.2-109.3-152.0 156.5 34.5 2.6 21.4 4 5 A A E -A 17 0A 2 84,-2.3 50,-0.5 -2,-0.3 2,-0.3 -0.828 50.3-169.9 -88.3 104.4 34.5 -0.2 18.9 5 6 A V E -AC 16 53A 4 11,-2.8 11,-2.4 -2,-1.0 2,-0.5 -0.716 22.8-145.7-101.1 147.1 36.3 -2.9 20.9 6 7 A I E +AC 15 52A 0 46,-2.5 46,-2.4 -2,-0.3 3,-0.2 -0.958 21.1 168.7-109.4 127.8 37.6 -6.3 19.9 7 8 A H S S+ 0 0 99 7,-0.5 2,-0.4 -2,-0.5 -1,-0.1 0.576 79.7 30.4-107.7 -15.6 37.4 -8.9 22.7 8 9 A K S S- 0 0 138 6,-0.3 -1,-0.3 44,-0.1 6,-0.0 -0.949 88.3-125.8-146.1 112.4 38.2 -11.8 20.4 9 10 A K + 0 0 112 -2,-0.4 2,-0.3 -3,-0.2 39,-0.2 -0.312 67.6 89.9 -57.4 147.2 40.5 -11.2 17.5 10 11 A G S S- 0 0 23 37,-2.2 4,-0.1 1,-0.1 -1,-0.0 -0.981 71.4 -4.8 161.9-150.7 38.7 -12.4 14.3 11 12 A G S > S- 0 0 33 -2,-0.3 3,-2.1 1,-0.1 4,-0.2 0.130 73.7 -90.8 -69.9 174.8 36.4 -11.1 11.6 12 13 A P G > S+ 0 0 29 0, 0.0 3,-1.6 0, 0.0 293,-0.1 0.805 119.5 66.0 -57.9 -31.6 34.7 -7.8 11.3 13 14 A D G 3 S+ 0 0 111 1,-0.3 -2,-0.1 289,-0.1 289,-0.1 0.444 82.5 79.1 -76.9 7.2 31.6 -8.8 13.1 14 15 A N G < + 0 0 41 -3,-2.1 -7,-0.5 -4,-0.1 -1,-0.3 0.556 65.0 111.3 -85.7 -8.7 33.7 -9.2 16.3 15 16 A F E < -A 6 0A 28 -3,-1.6 2,-0.5 -4,-0.2 -9,-0.2 -0.411 53.2-160.4 -62.8 145.0 33.6 -5.5 17.0 16 17 A V E -A 5 0A 60 -11,-2.4 -11,-2.8 -2,-0.1 2,-0.8 -0.988 11.6-143.9-129.2 120.9 31.5 -4.6 20.0 17 18 A W E +A 4 0A 76 -2,-0.5 2,-0.3 -13,-0.2 -13,-0.2 -0.754 48.4 133.5 -80.5 111.6 30.2 -1.0 20.4 18 19 A E E -A 3 0A 60 -15,-2.2 -15,-2.2 -2,-0.8 2,-0.1 -0.947 58.5 -74.9-153.1 175.9 30.4 -0.4 24.2 19 20 A E E -A 2 0A 114 -2,-0.3 2,-0.3 -17,-0.2 -17,-0.3 -0.461 42.4-170.0 -78.7 144.7 31.5 2.0 26.9 20 21 A V - 0 0 31 -19,-2.9 2,-0.4 -2,-0.1 71,-0.0 -0.949 23.7-115.1-131.5 155.4 35.3 2.3 27.6 21 22 A K - 0 0 167 -2,-0.3 2,-0.5 0, 0.0 -19,-0.0 -0.767 28.5-179.2 -93.9 127.0 37.0 4.2 30.5 22 23 A V - 0 0 40 -2,-0.4 70,-0.1 70,-0.1 9,-0.0 -0.983 10.9-169.0-125.3 121.3 39.2 7.2 29.6 23 24 A G - 0 0 48 -2,-0.5 69,-0.0 1,-0.2 0, 0.0 0.051 36.3 -68.3 -92.0-158.4 40.8 8.9 32.6 24 25 A S - 0 0 77 1,-0.1 -1,-0.2 69,-0.0 2,-0.1 -0.687 63.1 -95.1 -96.6 144.9 42.7 12.2 32.9 25 26 A P - 0 0 8 0, 0.0 3,-0.1 0, 0.0 6,-0.1 -0.391 31.4-145.4 -65.1 140.7 46.1 12.4 31.1 26 27 A G > - 0 0 31 1,-0.2 3,-2.2 40,-0.2 40,-0.3 -0.119 54.5 -39.0 -85.8-172.5 49.4 11.7 32.8 27 28 A P T 3 S+ 0 0 99 0, 0.0 -1,-0.2 0, 0.0 41,-0.2 -0.284 130.7 5.1 -54.7 134.1 52.7 13.5 32.0 28 29 A G T 3 S+ 0 0 32 39,-1.9 68,-2.4 1,-0.3 69,-0.5 0.503 110.6 104.8 69.4 8.8 53.2 14.2 28.4 29 30 A Q E < -D 95 0B 63 -3,-2.2 37,-2.9 66,-0.3 2,-0.3 -0.715 49.5-160.8-115.5 165.9 49.7 12.9 27.4 30 31 A V E -DE 94 65B 0 64,-2.0 64,-2.0 -2,-0.2 2,-0.5 -0.897 22.7-119.8-136.4 162.4 46.5 14.6 26.4 31 32 A R E -DE 93 64B 51 33,-3.0 32,-2.6 -2,-0.3 33,-1.3 -0.965 34.0-159.3-107.0 130.6 42.9 13.5 26.3 32 33 A L E -DE 92 62B 0 60,-3.2 60,-1.9 -2,-0.5 2,-0.6 -0.875 18.3-153.5-111.5 141.4 41.4 13.6 22.8 33 34 A R E -DE 91 61B 96 28,-2.6 28,-2.0 -2,-0.4 58,-0.2 -0.981 28.9-138.9-107.5 109.4 37.9 13.8 21.6 34 35 A N E - E 0 60B 2 56,-1.4 26,-0.3 -2,-0.6 3,-0.1 -0.480 22.0-176.0 -70.3 138.5 38.0 12.2 18.1 35 36 A T E S+ 0 0 17 24,-2.9 2,-0.3 1,-0.4 25,-0.2 0.653 72.0 1.6-107.6 -21.0 35.9 13.9 15.5 36 37 A A E - E 0 59B 0 23,-1.5 23,-2.6 284,-0.1 2,-0.5 -0.932 67.4-146.9-166.6 143.2 36.5 11.5 12.5 37 38 A I E -FE 319 58B 0 282,-2.3 282,-3.3 -2,-0.3 2,-0.3 -0.961 10.8-134.7-126.9 129.6 38.5 8.3 12.2 38 39 A G E -FE 318 57B 1 19,-2.2 2,-0.6 -2,-0.5 19,-0.6 -0.597 14.3-143.0 -86.9 135.7 40.4 7.0 9.2 39 40 A V E -F 317 0B 10 278,-3.2 278,-0.6 -2,-0.3 2,-0.3 -0.839 23.6-175.4 -97.4 124.6 40.0 3.3 8.3 40 41 A N >> - 0 0 28 -2,-0.6 3,-1.0 1,-0.1 4,-0.6 -0.809 38.1-118.2-122.2 149.7 43.2 1.7 7.1 41 42 A F H >> S+ 0 0 55 -2,-0.3 3,-1.5 1,-0.3 4,-0.7 0.872 113.1 62.8 -53.1 -39.8 44.0 -1.7 5.7 42 43 A L H >> S+ 0 0 86 1,-0.3 4,-2.2 2,-0.2 3,-1.2 0.866 90.2 68.9 -52.7 -37.0 46.4 -2.3 8.7 43 44 A D H <> S+ 0 0 0 -3,-1.0 4,-2.3 1,-0.3 -1,-0.3 0.813 94.4 56.4 -54.7 -31.2 43.4 -2.0 11.1 44 45 A T H - 0 0 7 -37,-2.9 3,-1.8 -2,-0.4 -40,-0.2 -0.112 46.8 -51.1 -81.0 177.5 48.5 16.4 31.3 67 77 A P T 3 S+ 0 0 84 0, 0.0 -39,-1.9 0, 0.0 -38,-0.2 -0.335 122.8 10.6 -50.9 135.5 51.4 17.6 33.5 68 78 A G T 3 S+ 0 0 76 1,-0.2 2,-0.9 -41,-0.2 -2,-0.1 0.427 87.7 136.6 74.9 2.9 54.2 19.3 31.6 69 79 A V < + 0 0 19 -3,-1.8 -1,-0.2 1,-0.2 -4,-0.1 -0.760 7.9 145.0 -89.4 114.9 52.3 19.6 28.4 70 80 A T + 0 0 125 -2,-0.9 -1,-0.2 -3,-0.1 -2,-0.0 0.457 56.3 72.9-120.0 -12.7 52.8 23.1 26.9 71 81 A D S S+ 0 0 83 1,-0.0 2,-0.3 2,-0.0 -2,-0.1 0.627 99.5 50.6 -79.1 -9.0 52.8 22.5 23.1 72 82 A F - 0 0 3 29,-0.0 2,-0.3 4,-0.0 24,-0.0 -0.966 66.8-160.0-129.5 147.0 49.0 21.9 23.1 73 83 A T > - 0 0 93 -2,-0.3 3,-2.0 -9,-0.0 -11,-0.3 -0.894 35.6 -91.9-123.0 154.0 46.1 23.8 24.5 74 84 A V T 3 S+ 0 0 92 -2,-0.3 -11,-0.2 1,-0.3 3,-0.1 -0.414 113.0 28.9 -66.4 136.7 42.5 22.7 25.3 75 85 A G T 3 S+ 0 0 54 -13,-3.2 -1,-0.3 1,-0.3 2,-0.2 0.242 87.6 137.7 95.3 -8.1 40.2 23.2 22.3 76 86 A E < - 0 0 34 -3,-2.0 -14,-2.4 -14,-0.2 2,-0.4 -0.458 54.4-125.5 -77.4 143.4 43.0 22.8 19.7 77 87 A R E +G 61 0B 55 25,-0.4 25,-2.1 -16,-0.2 2,-0.3 -0.741 43.3 159.2 -88.0 133.4 42.3 20.8 16.6 78 88 A V E -GH 60 101B 0 -18,-2.0 -18,-2.9 -2,-0.4 2,-0.3 -0.877 27.0-140.2-145.5 169.7 44.8 18.0 16.0 79 89 A C E -GH 59 100B 0 21,-1.9 21,-2.7 -2,-0.3 2,-0.4 -0.971 2.4-152.6-136.0 155.3 45.4 14.8 14.2 80 90 A T E +G 58 0B 0 -22,-2.2 -22,-2.2 -2,-0.3 38,-0.2 -0.924 23.8 156.5-117.8 150.1 46.9 11.4 14.9 81 91 A C + 0 0 2 -2,-0.4 -24,-0.2 17,-0.3 -1,-0.1 0.133 59.3 67.7-154.0 20.6 48.4 9.1 12.3 82 92 A L S S- 0 0 5 -26,-0.5 -1,-0.1 2,-0.1 16,-0.1 -0.935 81.4 -60.7-139.0 158.6 50.9 7.0 14.3 83 93 A P S S+ 0 0 60 0, 0.0 2,-0.2 0, 0.0 -2,-0.1 -0.267 76.6 99.1 -60.7 163.9 50.7 4.3 17.0 84 94 A P S S- 0 0 59 0, 0.0 -2,-0.1 0, 0.0 3,-0.1 0.339 75.8-131.9 -63.3 153.3 49.8 3.9 19.8 85 95 A L + 0 0 70 -2,-0.2 -29,-0.2 1,-0.1 -31,-0.2 -0.165 67.7 96.6 -69.5 163.6 46.6 2.2 18.6 86 96 A G + 0 0 10 -31,-1.9 -32,-0.2 -34,-0.1 -31,-0.2 0.465 34.4 127.7 127.4 17.3 43.1 3.2 19.9 87 97 A A + 0 0 0 -32,-2.1 2,-2.3 1,-0.2 -32,-0.2 0.725 54.1 85.4 -75.4 -16.4 41.6 5.7 17.4 88 98 A Y S S+ 0 0 0 -34,-2.5 -84,-2.3 -33,-0.2 2,-0.3 -0.306 79.7 91.8 -80.6 58.7 38.3 3.7 17.0 89 99 A S B S-B 3 0A 4 -2,-2.3 -86,-0.2 -86,-0.2 -55,-0.2 -0.950 81.5-126.7-147.5 156.5 37.0 5.5 20.1 90 100 A Q S S+ 0 0 22 -88,-2.7 -56,-1.4 -2,-0.3 2,-0.3 0.836 98.9 4.5 -76.0 -31.1 35.0 8.6 20.9 91 101 A E E S+D 33 0B 45 -89,-0.4 2,-0.3 -58,-0.2 -1,-0.3 -0.969 72.5 160.3-147.3 157.2 37.8 9.8 23.3 92 102 A R E -D 32 0B 15 -60,-1.9 -60,-3.2 -2,-0.3 2,-0.3 -0.971 39.3-101.4-168.0 165.1 41.2 8.5 24.3 93 103 A L E +D 31 0B 69 -2,-0.3 -62,-0.2 -62,-0.2 -69,-0.0 -0.815 42.8 174.6 -95.5 147.7 44.5 9.3 25.9 94 104 A Y E -D 30 0B 0 -64,-2.0 -64,-2.0 -2,-0.3 2,-0.3 -0.996 36.7 -98.3-152.7 148.0 47.4 9.9 23.5 95 105 A P E > -D 29 0B 22 0, 0.0 3,-1.2 0, 0.0 4,-0.4 -0.475 25.1-144.6 -70.9 132.1 51.0 11.1 23.7 96 106 A A G > S+ 0 0 8 -68,-2.4 3,-1.6 -2,-0.3 -67,-0.1 0.855 91.2 71.4 -61.7 -35.3 51.5 14.8 22.9 97 107 A E G 3 S+ 0 0 133 -69,-0.5 -1,-0.2 1,-0.3 -68,-0.1 0.742 102.1 41.9 -58.8 -21.1 54.8 14.3 21.2 98 108 A K G < S+ 0 0 15 -3,-1.2 -17,-0.3 2,-0.1 -1,-0.3 0.420 88.5 115.3-108.1 3.5 53.3 12.6 18.2 99 109 A L < - 0 0 0 -3,-1.6 2,-0.5 -4,-0.4 -19,-0.2 -0.343 58.9-133.5 -75.8 151.5 50.2 14.8 17.7 100 110 A I E -H 79 0B 0 -21,-2.7 -21,-1.9 -2,-0.1 2,-0.3 -0.871 14.9-135.5-105.2 130.7 49.8 16.9 14.6 101 111 A K E -H 78 0B 55 -2,-0.5 -23,-0.2 -23,-0.2 -29,-0.0 -0.653 13.9-152.4 -84.4 136.0 48.7 20.5 15.0 102 112 A V - 0 0 10 -25,-2.1 -25,-0.4 -2,-0.3 175,-0.0 -0.930 16.3-128.0-112.6 120.4 46.0 21.7 12.6 103 113 A P > - 0 0 43 0, 0.0 3,-1.6 0, 0.0 -25,-0.0 -0.356 15.3-126.8 -66.8 144.0 46.0 25.5 11.7 104 114 A K T 3 S+ 0 0 205 1,-0.3 -2,-0.0 3,-0.1 -28,-0.0 0.770 107.0 60.7 -66.2 -23.7 42.6 27.2 12.2 105 115 A D T 3 S+ 0 0 107 2,-0.1 2,-0.8 0, 0.0 -1,-0.3 0.307 71.3 109.9 -89.4 14.5 42.7 28.5 8.7 106 116 A L < - 0 0 6 -3,-1.6 2,-1.3 2,-0.1 175,-0.1 -0.793 61.4-151.9 -85.3 122.1 42.7 25.0 7.0 107 117 A D + 0 0 160 -2,-0.8 2,-0.3 2,-0.0 -2,-0.1 -0.694 51.0 120.2-101.2 77.0 39.3 25.0 5.5 108 118 A L - 0 0 31 -2,-1.3 -2,-0.1 3,-0.0 176,-0.0 -0.983 60.0-121.3-143.7 131.4 38.7 21.3 5.6 109 119 A D > - 0 0 90 -2,-0.3 4,-2.6 1,-0.1 5,-0.2 -0.196 32.1-102.7 -75.1 168.1 36.0 19.4 7.4 110 120 A D H > S+ 0 0 64 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.871 118.6 51.3 -57.3 -42.5 36.7 16.7 10.0 111 121 A V H > S+ 0 0 24 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.915 113.7 42.1 -63.2 -43.5 36.0 13.8 7.7 112 122 A H H > S+ 0 0 51 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.850 114.7 53.2 -73.8 -34.8 38.3 15.0 4.9 113 123 A L H >X S+ 0 0 0 -4,-2.6 4,-1.1 2,-0.2 3,-0.6 0.972 110.5 46.2 -61.8 -52.7 40.9 16.0 7.5 114 124 A A H >< S+ 0 0 0 -4,-3.1 3,-0.5 1,-0.2 4,-0.4 0.902 112.6 51.2 -54.8 -48.6 40.8 12.5 9.1 115 125 A G H 3< S+ 0 0 0 -4,-2.0 4,-0.3 1,-0.2 -1,-0.2 0.757 108.6 52.0 -62.3 -25.9 41.0 10.8 5.7 116 126 A L H S+ 0 0 38 -4,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.968 124.8 37.8 -56.8 -52.4 48.4 9.1 6.9 119 129 A K H > S+ 0 0 35 -4,-0.3 4,-3.1 1,-0.2 5,-0.2 0.931 118.0 52.1 -65.0 -44.2 48.7 9.4 3.0 120 130 A G H X S+ 0 0 0 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.896 113.0 41.2 -59.6 -48.4 49.3 13.1 3.2 121 131 A M H X S+ 0 0 6 -4,-2.9 4,-1.8 -5,-0.3 -1,-0.2 0.856 115.5 52.0 -71.7 -33.8 52.1 13.0 5.8 122 132 A T H X S+ 0 0 15 -4,-2.1 4,-2.2 -5,-0.3 -2,-0.2 0.955 111.7 45.6 -65.7 -46.8 53.7 10.0 4.0 123 133 A A H X S+ 0 0 0 -4,-3.1 4,-2.5 1,-0.2 5,-0.2 0.900 109.1 59.7 -63.9 -34.4 53.7 11.8 0.6 124 134 A Q H X S+ 0 0 12 -4,-2.0 4,-1.2 -5,-0.2 5,-0.3 0.942 109.9 37.6 -62.4 -48.8 55.1 14.9 2.3 125 135 A Y H X>S+ 0 0 4 -4,-1.8 5,-2.4 1,-0.2 4,-2.4 0.890 115.3 54.6 -73.4 -36.4 58.2 13.2 3.5 126 136 A L H <>S+ 0 0 0 -4,-2.2 5,-1.2 3,-0.2 -1,-0.2 0.910 116.1 37.6 -60.7 -37.6 58.7 11.1 0.4 127 137 A L H <5S+ 0 0 1 -4,-2.5 6,-2.2 -5,-0.2 -1,-0.2 0.512 129.5 29.6 -93.1 -12.6 58.6 14.1 -1.9 128 138 A H H <5S+ 0 0 29 -4,-1.2 -3,-0.2 -3,-0.2 -2,-0.2 0.630 133.6 16.0-118.4 -21.4 60.5 16.7 0.3 129 139 A Q T <5S+ 0 0 102 -4,-2.4 3,-0.3 -5,-0.3 -3,-0.2 0.780 119.1 50.1-123.8 -56.1 62.9 14.6 2.3 130 140 A T T - 0 0 97 -2,-0.1 3,-2.3 26,-0.1 26,-0.1 -0.934 39.5 -66.3-139.3 162.2 62.5 19.6 -7.9 135 145 A P T 3 S+ 0 0 107 0, 0.0 26,-0.2 0, 0.0 25,-0.1 -0.177 119.0 20.1 -48.9 130.7 61.8 21.2 -11.3 136 146 A G T 3 S+ 0 0 58 24,-2.4 25,-0.2 1,-0.3 24,-0.1 0.304 88.3 132.0 93.0 -12.0 63.0 19.0 -14.0 137 147 A D < - 0 0 5 -3,-2.3 25,-3.1 23,-0.1 2,-0.5 -0.456 54.6-133.2 -65.1 153.1 63.3 15.7 -12.1 138 148 A Y E -j 162 0C 72 23,-0.2 68,-1.9 -3,-0.1 69,-1.1 -0.955 26.9-167.9-100.6 128.6 61.8 12.6 -13.7 139 149 A V E -jk 163 207C 0 23,-2.5 25,-2.8 -2,-0.5 2,-0.5 -0.975 11.1-157.8-119.3 124.0 59.7 10.9 -10.9 140 150 A L E -jk 164 208C 0 67,-2.4 69,-2.6 -2,-0.5 2,-0.5 -0.903 11.2-172.6 -99.5 125.2 58.4 7.3 -11.3 141 151 A I E > -jk 165 209C 3 23,-2.8 25,-2.3 -2,-0.5 3,-0.5 -0.973 14.4-144.0-119.6 112.9 55.4 6.6 -9.0 142 152 A H T 3 S+ 0 0 5 67,-2.1 25,-0.1 -2,-0.5 4,-0.1 -0.536 82.4 17.1 -73.7 150.7 54.2 2.9 -8.9 143 153 A A T > S+ 0 0 33 -2,-0.2 3,-2.0 1,-0.1 6,-0.6 0.922 76.7 176.8 52.9 55.1 50.4 2.3 -8.6 144 154 A A T < S+ 0 0 0 22,-2.6 9,-0.2 -3,-0.5 23,-0.1 0.626 71.7 53.9 -65.2 -21.8 49.7 5.8 -9.7 145 155 A A T 3 S+ 0 0 12 21,-0.4 -1,-0.3 4,-0.1 -2,-0.1 0.395 92.3 98.3 -92.0 0.9 45.9 5.4 -9.6 146 156 A G S <> S- 0 0 21 -3,-2.0 4,-2.4 -4,-0.1 168,-0.1 -0.034 95.4 -88.2 -76.7-177.8 45.9 4.1 -6.0 147 157 A G T 4 S+ 0 0 20 1,-0.2 4,-0.4 2,-0.2 144,-0.1 0.941 131.7 42.7 -60.4 -49.5 45.1 6.0 -2.9 148 158 A M T >> S+ 0 0 42 1,-0.2 4,-3.1 2,-0.2 3,-1.6 0.902 110.8 59.0 -62.6 -36.6 48.7 7.1 -2.4 149 159 A G H 3> S+ 0 0 1 -6,-0.6 4,-2.5 1,-0.3 -2,-0.2 0.892 96.3 63.6 -58.7 -38.9 48.9 7.9 -6.2 150 160 A H H 3< S+ 0 0 46 -4,-2.4 139,-0.3 1,-0.2 -1,-0.3 0.735 115.8 27.7 -61.5 -22.1 46.1 10.3 -5.8 151 161 A I H <> S+ 0 0 3 -3,-1.6 4,-1.6 -4,-0.4 -2,-0.2 0.798 120.4 53.8-101.1 -44.1 48.2 12.5 -3.6 152 162 A M H X S+ 0 0 1 -4,-3.1 4,-2.7 2,-0.2 5,-0.2 0.888 106.2 51.6 -62.3 -40.5 51.7 11.6 -4.9 153 163 A V H X S+ 0 0 0 -4,-2.5 4,-2.4 -9,-0.2 5,-0.2 0.963 113.1 39.4 -68.6 -54.0 51.0 12.4 -8.6 154 164 A P H > S+ 0 0 26 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.876 117.9 50.5 -67.3 -28.5 49.6 15.9 -8.4 155 165 A W H X S+ 0 0 5 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.946 110.3 48.0 -72.1 -42.3 52.0 16.9 -5.7 156 166 A A H <>S+ 0 0 0 -4,-2.7 5,-1.9 2,-0.2 4,-0.2 0.907 112.9 49.9 -64.3 -34.6 55.1 15.7 -7.6 157 167 A R H ><5S+ 0 0 118 -4,-2.4 3,-1.7 1,-0.2 -1,-0.2 0.923 109.6 50.9 -65.8 -44.7 53.8 17.6 -10.7 158 168 A H H 3<5S+ 0 0 117 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.849 103.9 58.3 -58.5 -36.3 53.2 20.7 -8.6 159 169 A L T 3<5S- 0 0 36 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.487 127.1-100.8 -74.3 -3.9 56.8 20.4 -7.4 160 170 A G T < 5S+ 0 0 32 -3,-1.7 -24,-2.4 1,-0.3 -3,-0.2 0.533 73.9 139.4 100.3 8.4 58.0 20.6 -11.1 161 171 A A < - 0 0 3 -5,-1.9 2,-0.7 -26,-0.2 -1,-0.3 -0.416 58.4-121.2 -82.4 156.7 58.7 16.9 -11.9 162 172 A T E -j 138 0C 41 -25,-3.1 -23,-2.5 -2,-0.1 2,-0.5 -0.918 42.3-145.2 -92.0 119.6 57.9 15.1 -15.1 163 173 A V E -j 139 0C 0 -2,-0.7 19,-2.4 17,-0.3 20,-1.7 -0.809 21.7-173.8-100.6 124.3 55.7 12.4 -13.6 164 174 A I E -jl 140 183C 0 -25,-2.8 -23,-2.8 -2,-0.5 2,-0.4 -0.977 12.6-169.9-113.0 121.5 55.6 8.8 -14.9 165 175 A G E -jl 141 184C 0 18,-2.5 20,-2.2 -2,-0.5 2,-0.4 -0.898 11.8-145.4-118.0 145.0 53.0 6.6 -13.3 166 176 A T E + l 0 185C 0 -25,-2.3 -22,-2.6 -2,-0.4 -21,-0.4 -0.861 22.6 171.3-106.6 147.9 52.5 2.9 -13.5 167 177 A V E - l 0 186C 2 18,-2.5 20,-1.9 -2,-0.4 21,-0.5 -0.890 37.7-129.1-144.1 173.6 49.1 1.1 -13.4 168 178 A S S S+ 0 0 28 -2,-0.3 2,-0.3 18,-0.2 18,-0.1 0.512 86.3 26.3-104.5 -11.3 47.5 -2.2 -13.9 169 179 A T S > S- 0 0 57 1,-0.1 4,-1.6 19,-0.1 5,-0.1 -0.960 75.3-111.9-147.7 167.3 44.7 -1.3 -16.3 170 180 A E H > S+ 0 0 125 -2,-0.3 4,-1.9 2,-0.2 5,-0.1 0.862 116.8 51.8 -72.3 -35.3 43.8 1.1 -19.0 171 181 A E H > S+ 0 0 134 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.895 109.2 52.8 -69.0 -29.2 41.0 2.8 -17.1 172 182 A K H > S+ 0 0 89 1,-0.2 4,-3.0 2,-0.2 -2,-0.2 0.867 105.4 55.3 -69.3 -32.9 43.6 3.2 -14.2 173 183 A A H X S+ 0 0 9 -4,-1.6 4,-2.7 1,-0.2 -1,-0.2 0.902 105.7 50.7 -64.1 -41.9 45.9 4.8 -16.8 174 184 A E H X S+ 0 0 71 -4,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.918 111.7 48.3 -62.0 -42.5 43.2 7.4 -17.6 175 185 A T H X S+ 0 0 48 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.967 111.2 49.5 -60.4 -47.7 42.8 8.1 -13.9 176 186 A A H X>S+ 0 0 0 -4,-3.0 5,-2.5 1,-0.2 4,-0.9 0.878 111.7 50.9 -60.3 -39.0 46.6 8.4 -13.5 177 187 A R H ><5S+ 0 0 126 -4,-2.7 3,-0.9 3,-0.2 -1,-0.2 0.953 109.4 47.6 -61.2 -50.9 46.6 10.8 -16.5 178 188 A K H 3<5S+ 0 0 151 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.854 106.1 60.0 -62.7 -32.0 43.9 13.1 -15.2 179 189 A L H 3<5S- 0 0 34 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.758 132.7 -88.4 -65.1 -25.5 45.7 13.1 -11.7 180 190 A G T <<5S+ 0 0 7 -4,-0.9 -17,-0.3 -3,-0.9 -3,-0.2 0.531 71.5 153.4 131.7 1.6 48.7 14.7 -13.6 181 191 A C < - 0 0 6 -5,-2.5 -1,-0.2 1,-0.2 -17,-0.2 -0.487 30.7-158.8 -62.2 132.5 50.9 11.9 -14.9 182 192 A H S S+ 0 0 75 -19,-2.4 2,-0.4 1,-0.3 -18,-0.2 0.745 84.7 19.8 -79.5 -25.4 52.9 13.2 -18.0 183 193 A H E S-l 164 0C 75 -20,-1.7 -18,-2.5 -7,-0.1 2,-0.4 -0.997 71.3-162.3-143.9 135.0 53.3 9.5 -19.0 184 194 A T E -l 165 0C 51 -2,-0.4 2,-0.4 -20,-0.2 -18,-0.2 -0.970 2.6-163.5-120.0 150.0 51.5 6.3 -17.9 185 195 A I E -l 166 0C 0 -20,-2.2 -18,-2.5 -2,-0.4 2,-1.0 -0.996 14.4-144.4-131.6 127.0 52.7 2.7 -18.2 186 196 A N E >> -l 167 0C 6 -2,-0.4 4,-1.5 -20,-0.2 3,-1.0 -0.818 13.4-169.6 -94.2 100.0 50.5 -0.3 -17.9 187 197 A Y T 34 S+ 0 0 89 -20,-1.9 -19,-0.2 -2,-1.0 -1,-0.1 0.479 81.4 66.9 -69.6 -1.8 52.7 -2.8 -16.2 188 198 A S T 34 S+ 0 0 81 -21,-0.5 -1,-0.2 1,-0.1 -20,-0.1 0.902 120.8 18.5 -82.1 -29.0 50.3 -5.6 -16.9 189 199 A T T <4 S+ 0 0 103 -3,-1.0 2,-0.3 2,-0.0 -2,-0.2 0.321 123.7 55.9-116.0 -4.0 51.0 -5.3 -20.7 190 200 A Q S < S- 0 0 80 -4,-1.5 2,-0.8 -5,-0.0 3,-0.1 -0.882 77.6-119.1-130.9 160.7 54.3 -3.4 -20.8 191 201 A D > - 0 0 46 -2,-0.3 4,-2.6 1,-0.2 5,-0.3 -0.893 27.5-159.0 -97.6 108.4 57.8 -3.7 -19.4 192 202 A F H > S+ 0 0 9 -2,-0.8 4,-2.3 1,-0.2 -1,-0.2 0.876 88.3 53.9 -62.2 -28.8 58.0 -0.6 -17.3 193 203 A A H > S+ 0 0 10 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.939 111.2 46.4 -68.1 -46.3 61.9 -0.5 -17.2 194 204 A E H > S+ 0 0 119 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.958 115.0 46.8 -59.2 -46.3 62.0 -0.7 -21.0 195 205 A V H X S+ 0 0 18 -4,-2.6 4,-3.0 1,-0.2 -1,-0.2 0.875 107.6 55.0 -64.5 -39.3 59.3 2.0 -21.3 196 206 A V H X S+ 0 0 0 -4,-2.3 4,-2.2 -5,-0.3 8,-0.3 0.928 106.8 52.4 -57.8 -42.8 61.0 4.3 -18.8 197 207 A R H X>S+ 0 0 85 -4,-1.9 5,-3.2 2,-0.2 4,-0.8 0.955 111.1 47.9 -61.9 -37.7 64.2 4.1 -20.9 198 208 A E H ><5S+ 0 0 137 -4,-2.0 3,-1.4 1,-0.2 -2,-0.2 0.989 112.9 47.5 -64.5 -51.0 62.2 5.1 -24.0 199 209 A I H 3<5S+ 0 0 35 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.866 117.5 41.9 -56.6 -39.2 60.5 8.0 -22.1 200 210 A T H ><5S- 0 0 8 -4,-2.2 3,-1.1 -5,-0.2 -1,-0.3 0.396 111.4-113.2 -94.2 5.7 63.8 9.3 -20.7 201 211 A G T <<5S- 0 0 60 -3,-1.4 -3,-0.2 -4,-0.8 -4,-0.1 0.865 76.8 -55.4 60.6 44.6 65.9 8.9 -23.8 202 212 A G T 3 > + 0 0 6 1,-0.2 4,-2.5 21,-0.2 3,-1.1 -0.649 57.0 34.8 88.5-120.8 57.9 -4.6 -3.5 214 224 A K T 34 S+ 0 0 126 24,-2.4 4,-0.4 -2,-0.6 -1,-0.2 0.874 118.8 46.8 -44.7 -55.1 58.7 -8.1 -4.8 215 225 A D T 34 S+ 0 0 111 -3,-0.4 -1,-0.2 1,-0.2 4,-0.1 0.779 128.1 21.6 -61.2 -27.1 57.2 -7.8 -8.3 216 226 A T T <> S+ 0 0 7 -3,-1.1 4,-3.0 2,-0.1 -2,-0.2 0.609 89.4 95.6-120.8 -17.1 58.8 -4.4 -9.1 217 227 A L H X S+ 0 0 16 -4,-2.5 4,-2.2 1,-0.2 5,-0.1 0.858 90.8 42.0 -54.3 -49.5 61.9 -3.6 -7.0 218 228 A Q H > S+ 0 0 68 -4,-0.4 4,-2.7 2,-0.2 -1,-0.2 0.935 117.9 48.1 -64.8 -39.7 64.7 -4.8 -9.3 219 229 A K H > S+ 0 0 75 1,-0.2 4,-1.2 2,-0.2 -2,-0.2 0.917 109.3 54.3 -67.4 -33.9 63.0 -3.3 -12.3 220 230 A S H >< S+ 0 0 0 -4,-3.0 3,-0.6 1,-0.2 4,-0.4 0.936 108.2 47.8 -62.1 -43.9 62.5 -0.1 -10.3 221 231 A L H >< S+ 0 0 1 -4,-2.2 3,-1.8 1,-0.2 -2,-0.2 0.920 105.7 60.1 -63.2 -39.3 66.3 -0.1 -9.6 222 232 A D H 3< S+ 0 0 64 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.777 100.3 60.0 -55.8 -25.8 66.8 -0.7 -13.5 223 233 A C T << S+ 0 0 0 -4,-1.2 -18,-2.7 -3,-0.6 2,-0.3 0.575 83.7 104.7 -79.7 -17.8 64.9 2.6 -14.0 224 234 A L E < -m 205 0C 3 -3,-1.8 -18,-0.2 -4,-0.4 3,-0.1 -0.577 65.2-133.8 -76.7 137.8 67.2 4.8 -12.1 225 235 A R E > - 0 0 110 -20,-2.4 3,-2.2 -2,-0.3 -21,-0.1 -0.277 59.2 -66.5 -66.1 161.8 69.7 7.3 -13.5 226 236 A P E 3 S+ 0 0 77 0, 0.0 28,-0.2 0, 0.0 -1,-0.2 -0.295 127.1 13.3 -59.0 142.7 73.2 7.1 -11.8 227 237 A R E 3 S+ 0 0 184 26,-2.2 28,-0.2 1,-0.2 27,-0.1 0.641 96.7 151.2 65.3 16.6 73.0 8.2 -8.1 228 238 A G E < - 0 0 3 -3,-2.2 28,-2.7 25,-0.2 2,-0.4 -0.363 45.1-114.4 -71.2 167.1 69.2 8.0 -8.3 229 239 A M E -mn 207 256C 35 -23,-2.2 -21,-2.0 26,-0.2 2,-0.6 -0.860 16.6-161.4-111.1 124.5 67.0 7.2 -5.3 230 240 A C E -mn 208 257C 0 26,-2.4 28,-2.0 -2,-0.4 2,-1.0 -0.937 8.5-166.9-104.7 109.3 64.9 4.0 -4.8 231 241 A A E -mn 209 258C 0 -23,-2.8 -21,-2.2 -2,-0.6 2,-1.3 -0.831 5.1-175.3 -98.5 88.4 62.3 4.8 -2.0 232 242 A A E +m 210 0C 16 26,-2.4 -21,-0.2 -2,-1.0 -23,-0.1 -0.717 21.6 151.3 -88.4 86.4 61.0 1.3 -1.2 233 243 A Y + 0 0 35 -2,-1.3 2,-0.3 -23,-0.8 -22,-0.2 0.302 58.6 24.7-106.7 7.8 58.3 2.3 1.3 234 244 A G - 0 0 16 -24,-1.1 -21,-0.2 -3,-0.1 -22,-0.1 -0.964 52.3-156.1-161.7 160.7 55.7 -0.5 0.8 235 245 A H > + 0 0 87 -2,-0.3 3,-2.3 -23,-0.1 -23,-0.3 -0.379 25.2 159.3-145.3 60.1 55.5 -4.2 -0.4 236 246 A A T 3 S+ 0 0 94 -25,-2.4 -24,-0.2 1,-0.3 -23,-0.2 0.719 80.4 46.4 -56.1 -26.4 52.0 -4.8 -1.5 237 247 A S T 3 S- 0 0 34 -25,-2.8 -1,-0.3 1,-0.4 2,-0.2 0.355 130.4 -75.8 -99.6 7.2 53.1 -7.8 -3.7 238 248 A G < - 0 0 29 -3,-2.3 -24,-2.4 -26,-0.3 -1,-0.4 -0.484 64.5 -55.9 117.7 161.9 55.3 -9.3 -1.0 239 249 A V - 0 0 98 -26,-0.2 2,-0.1 -2,-0.2 -4,-0.1 -0.514 59.9-117.4 -73.2 153.5 58.7 -8.4 0.4 240 250 A A - 0 0 30 -2,-0.1 -26,-0.1 1,-0.1 3,-0.1 -0.418 31.0 -99.9 -86.3 162.2 61.5 -8.3 -2.2 241 251 A D - 0 0 130 -27,-0.2 -1,-0.1 1,-0.2 2,-0.0 -0.204 54.5 -77.8 -71.8 167.6 64.4 -10.6 -2.1 242 252 A P - 0 0 123 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.406 47.4-133.9 -67.8 151.8 67.6 -9.4 -0.6 243 253 A I - 0 0 56 -3,-0.1 2,-0.6 -2,-0.0 3,-0.1 -0.777 6.9-129.9-104.7 147.6 69.7 -7.1 -2.8 244 254 A R >> - 0 0 151 -2,-0.3 4,-1.9 1,-0.1 5,-0.6 -0.847 16.1-147.2 -93.6 124.1 73.5 -7.3 -3.4 245 255 A V H >>S+ 0 0 100 -2,-0.6 5,-2.0 3,-0.2 4,-1.2 0.898 92.8 49.6 -62.1 -43.5 75.0 -3.9 -2.8 246 256 A V H 4>S+ 0 0 90 3,-0.2 5,-2.7 4,-0.2 4,-0.4 0.982 123.7 26.3 -59.5 -58.5 77.8 -4.2 -5.5 247 257 A E H 4>S+ 0 0 82 3,-0.2 5,-0.9 1,-0.2 -2,-0.2 0.928 126.6 44.0 -71.6 -48.1 75.6 -5.5 -8.4 248 258 A D H <5S+ 0 0 11 -4,-1.9 -3,-0.2 3,-0.1 -1,-0.2 0.793 134.5 11.7 -72.2 -32.5 72.3 -4.0 -7.5 249 259 A L T <>> - 0 0 32 -2,-0.1 3,-1.0 1,-0.1 4,-0.6 -0.986 29.2-126.9-137.6 137.4 58.7 4.7 7.5 262 272 A L G >4 S+ 0 0 17 -2,-0.3 3,-1.5 1,-0.2 4,-0.4 0.784 104.9 69.8 -50.6 -42.6 56.7 7.7 8.5 263 273 A W G >4 S+ 0 0 120 1,-0.3 3,-1.4 2,-0.2 -1,-0.2 0.920 99.3 48.5 -45.4 -46.6 57.5 7.1 12.2 264 274 A H G <4 S+ 0 0 132 -3,-1.0 3,-0.4 1,-0.3 -1,-0.3 0.643 109.5 53.4 -73.6 -13.5 61.2 8.1 11.5 265 275 A Y G << S+ 0 0 61 -3,-1.5 -1,-0.3 -4,-0.6 -2,-0.2 0.350 105.4 52.3-102.4 6.2 60.1 11.2 9.6 266 276 A M S < S+ 0 0 0 -3,-1.4 -1,-0.2 -4,-0.4 -2,-0.1 -0.432 73.9 133.1-129.8 51.1 57.9 12.5 12.5 267 277 A S + 0 0 75 -3,-0.4 2,-0.3 1,-0.1 -1,-0.1 0.407 68.0 9.4 -88.0 -11.4 60.8 12.2 15.1 268 278 A N S > S- 0 0 81 -3,-0.1 4,-2.2 1,-0.1 5,-0.2 -0.963 81.8 -97.7-159.3 170.6 60.6 15.6 16.9 269 279 A R H > S+ 0 0 43 -2,-0.3 4,-3.1 1,-0.2 5,-0.3 0.908 116.0 58.1 -62.4 -44.7 58.2 18.6 17.1 270 280 A S H > S+ 0 0 88 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.932 111.6 40.0 -55.3 -45.4 60.1 20.7 14.6 271 281 A E H > S+ 0 0 58 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.855 113.7 52.2 -80.2 -30.7 59.9 18.2 11.9 272 282 A I H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 5,-0.3 0.943 112.9 47.7 -63.8 -42.1 56.2 17.2 12.6 273 283 A D H X S+ 0 0 61 -4,-3.1 4,-2.2 -5,-0.2 -2,-0.2 0.903 113.8 45.4 -65.0 -41.7 55.3 20.8 12.5 274 284 A E H X S+ 0 0 113 -4,-2.1 4,-1.9 -5,-0.3 -1,-0.2 0.919 114.4 49.3 -70.5 -38.1 57.2 21.5 9.2 275 285 A G H X S+ 0 0 2 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.916 115.1 42.7 -65.7 -45.7 55.8 18.3 7.6 276 286 A S H X S+ 0 0 5 -4,-2.8 4,-3.2 2,-0.2 5,-0.3 0.891 112.2 53.3 -70.8 -34.4 52.2 19.1 8.5 277 287 A K H X S+ 0 0 125 -4,-2.2 4,-2.6 -5,-0.3 -1,-0.2 0.898 109.8 49.8 -65.6 -36.3 52.5 22.8 7.6 278 288 A C H X S+ 0 0 30 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.939 114.0 45.4 -65.9 -49.1 53.9 21.7 4.2 279 289 A L H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.927 115.7 45.1 -57.6 -48.8 50.9 19.3 3.7 280 290 A F H X S+ 0 0 0 -4,-3.2 4,-2.9 1,-0.2 -2,-0.2 0.875 110.3 54.4 -70.9 -32.3 48.3 21.9 4.9 281 291 A D H X S+ 0 0 58 -4,-2.6 4,-1.6 -5,-0.3 -1,-0.2 0.896 108.6 49.1 -65.1 -36.3 49.8 24.6 2.8 282 292 A A H <>S+ 0 0 9 -4,-1.9 5,-2.5 2,-0.2 6,-0.7 0.888 112.3 49.3 -69.0 -40.4 49.5 22.4 -0.3 283 293 A V H ><5S+ 0 0 23 -4,-2.2 3,-1.5 1,-0.2 -2,-0.2 0.936 110.1 49.7 -61.7 -47.4 45.9 21.7 0.7 284 294 A K H 3<5S+ 0 0 88 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.811 109.0 53.6 -63.0 -30.7 45.2 25.4 1.2 285 295 A A T 3<5S- 0 0 75 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.441 115.1-116.1 -79.6 -7.1 46.7 26.1 -2.3 286 296 A G T < 5S+ 0 0 65 -3,-1.5 -3,-0.2 -4,-0.3 -2,-0.1 0.724 81.8 123.1 78.6 17.8 44.4 23.5 -4.0 287 297 A V S -i 320 0B 30 0, 0.0 3,-2.2 0, 0.0 7,-0.2 -0.472 38.2-117.6 -66.7 150.8 29.2 5.5 12.2 298 308 A L G > S+ 0 0 0 22,-2.7 3,-1.3 1,-0.3 4,-0.1 0.869 117.7 63.1 -57.3 -34.4 32.0 4.2 14.4 299 309 A R G 3 S+ 0 0 113 21,-0.4 3,-0.3 1,-0.3 -1,-0.3 0.713 98.0 59.7 -65.8 -12.6 29.5 1.7 15.9 300 310 A E G <> + 0 0 80 -3,-2.2 4,-2.0 1,-0.2 -1,-0.3 -0.132 64.8 128.5-105.4 36.9 29.4 0.3 12.3 301 311 A A H <> + 0 0 0 -3,-1.3 4,-2.3 1,-0.2 -1,-0.2 0.832 68.1 58.5 -60.1 -36.5 33.1 -0.5 12.2 302 312 A A H > S+ 0 0 15 -3,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.945 106.8 46.7 -62.6 -45.0 32.3 -4.1 11.0 303 313 A A H > S+ 0 0 30 1,-0.2 4,-3.3 2,-0.2 -1,-0.2 0.883 109.2 55.6 -62.2 -42.0 30.4 -2.8 7.9 304 314 A A H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.920 110.7 45.1 -56.2 -42.0 33.3 -0.4 7.2 305 315 A H H X S+ 0 0 8 -4,-2.3 4,-1.4 2,-0.2 -2,-0.2 0.906 112.0 50.0 -72.3 -41.8 35.7 -3.3 7.2 306 316 A K H X S+ 0 0 104 -4,-2.4 4,-0.5 1,-0.2 3,-0.4 0.938 111.8 49.6 -62.8 -45.7 33.5 -5.5 5.1 307 317 A Y H >X S+ 0 0 55 -4,-3.3 3,-1.4 1,-0.2 4,-0.8 0.889 105.4 56.4 -58.0 -45.3 33.1 -2.6 2.6 308 318 A M H 3< S+ 0 0 35 -4,-2.3 3,-0.5 1,-0.3 -1,-0.2 0.859 102.8 58.9 -55.9 -35.7 36.9 -1.9 2.4 309 319 A G H 3< S+ 0 0 71 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.600 117.1 24.9 -69.9 -23.7 37.5 -5.6 1.4 310 320 A G H << S+ 0 0 70 -3,-1.4 -1,-0.2 -4,-0.5 -2,-0.2 0.241 92.6 114.4-130.7 21.0 35.3 -5.6 -1.8 311 321 A R < - 0 0 68 -4,-0.8 -3,-0.0 -3,-0.5 -4,-0.0 -0.352 51.2-149.1 -87.8 173.4 35.1 -2.1 -3.1 312 322 A Q S S+ 0 0 196 -2,-0.1 -1,-0.1 0, 0.0 -4,-0.0 0.710 71.1 85.7-109.8 -31.3 36.3 -0.4 -6.3 313 323 A T - 0 0 75 1,-0.1 -2,-0.1 -20,-0.0 -166,-0.1 -0.165 58.9-155.6 -71.8 165.5 37.0 3.2 -5.2 314 324 A I + 0 0 56 -168,-0.1 -1,-0.1 -169,-0.1 -23,-0.1 0.308 52.5 116.4-121.7 -0.7 40.3 4.2 -3.5 315 325 A G S S- 0 0 4 1,-0.1 -23,-0.3 -23,-0.1 -168,-0.1 -0.095 75.9 -74.1 -63.6 170.7 39.2 7.2 -1.5 316 326 A S E - i 0 292B 12 -25,-3.5 -23,-1.6 -169,-0.1 -22,-1.5 -0.342 34.7-142.7 -68.0 148.8 39.4 7.3 2.3 317 327 A I E -Fi 39 294B 2 -278,-0.6 -278,-3.2 -24,-0.2 2,-0.4 -0.965 25.0-168.4-113.1 120.2 37.0 5.4 4.4 318 328 A V E -Fi 38 295B 0 -24,-2.2 -22,-1.8 -2,-0.5 2,-0.3 -0.947 14.8-144.1-121.6 136.7 36.1 7.5 7.6 319 329 A L E -Fi 37 296B 0 -282,-3.3 -282,-2.3 -2,-0.4 -21,-0.0 -0.766 12.4-142.9 -96.9 137.2 34.2 6.5 10.9 320 330 A L E > - i 0 297B 50 -24,-2.7 -22,-2.7 -2,-0.3 3,-1.0 -0.905 8.1-158.3-103.7 109.1 31.9 9.1 12.6 321 331 A P T 3 S+ 0 0 7 0, 0.0 -1,-0.1 0, 0.0 -22,-0.1 0.831 87.6 37.8 -53.6 -40.9 32.3 8.7 16.4 322 332 A Q T 3 0 0 139 -287,-0.2 -287,-0.0 1,-0.2 -232,-0.0 0.241 360.0 360.0 -96.1 3.3 29.0 10.3 17.5 323 333 A A < 0 0 55 -3,-1.0 -1,-0.2 -27,-0.1 -4,-0.0 0.623 360.0 360.0 -88.0 360.0 26.8 9.0 14.6