==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-SEP-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 09-SEP-11 3TQH . COMPND 2 MOLECULE: QUINONE OXIDOREDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: COXIELLA BURNETII; . AUTHOR M.C.FRANKLIN,J.CHEUNG,M.RUDOLPH,M.CASSIDY,E.GARY,F.BURSHTEYN . 317 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15146.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 233 73.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 31 9.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 40 12.6 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 . 23 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 76 24.0 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 1 0 2 2 0 1 2 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 3 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 . 2 0 2 1 1 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 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 K 0 0 217 0, 0.0 23,-2.7 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 9.2 47.3 2.2 59.0 2 3 A E E +A 23 0A 125 21,-0.2 2,-0.3 19,-0.0 19,-0.1 -0.541 360.0 171.2 -90.5 157.5 46.3 5.7 60.1 3 4 A X E -A 22 0A 18 19,-2.4 19,-2.7 -2,-0.2 2,-0.4 -0.968 34.8-105.5-152.1 163.9 42.9 7.4 60.3 4 5 A K E +A 21 0A 105 -2,-0.3 102,-1.9 17,-0.2 2,-0.3 -0.791 46.7 160.7 -90.2 137.3 41.1 10.5 61.6 5 6 A A E -AB 20 105A 6 15,-2.2 15,-3.0 -2,-0.4 2,-0.5 -0.990 40.7-113.4-155.3 150.0 39.0 10.1 64.8 6 7 A I E +A 19 0A 4 98,-2.9 61,-0.4 -2,-0.3 2,-0.3 -0.761 43.8 167.4 -84.9 126.8 37.5 12.1 67.6 7 8 A Q E -A 18 0A 32 11,-2.4 11,-2.6 -2,-0.5 2,-0.3 -0.894 24.9-149.7-130.4 165.0 39.1 11.4 71.0 8 9 A F E -AC 17 65A 0 57,-1.6 57,-1.8 -2,-0.3 9,-0.1 -0.994 4.4-164.9-133.1 141.7 39.1 12.9 74.5 9 10 A D S S+ 0 0 77 7,-0.5 2,-0.3 -2,-0.3 54,-0.1 0.618 76.5 21.4 -95.6 -19.6 41.9 12.7 77.0 10 11 A Q S S- 0 0 130 6,-0.2 2,-0.3 55,-0.1 -1,-0.2 -0.987 84.3-100.1-148.5 152.6 40.0 13.8 80.0 11 12 A F S S+ 0 0 65 -2,-0.3 39,-0.3 49,-0.1 38,-0.1 -0.590 73.1 95.8 -72.4 133.6 36.4 14.0 81.2 12 13 A G - 0 0 15 37,-1.9 39,-0.1 -2,-0.3 -4,-0.0 -0.953 69.8 -24.8 177.4-159.5 35.1 17.5 80.9 13 14 A P S > S- 0 0 85 0, 0.0 3,-2.1 0, 0.0 4,-0.2 -0.149 75.1 -85.3 -69.7 172.4 33.1 19.9 78.7 14 15 A P G > S+ 0 0 15 0, 0.0 3,-2.0 0, 0.0 286,-0.1 0.743 119.5 75.7 -51.9 -30.0 32.7 19.6 74.9 15 16 A K G 3 S+ 0 0 179 1,-0.3 282,-0.1 282,-0.1 283,-0.1 0.639 79.4 73.5 -58.2 -17.9 36.1 21.4 74.3 16 17 A V G < S+ 0 0 21 -3,-2.1 -7,-0.5 281,-0.1 2,-0.3 0.591 73.7 101.0 -75.0 -11.9 37.9 18.2 75.4 17 18 A L E < -A 8 0A 10 -3,-2.0 2,-0.4 -4,-0.2 -9,-0.2 -0.596 55.1-175.3 -73.3 133.6 37.0 16.5 72.1 18 19 A K E -A 7 0A 91 -11,-2.6 -11,-2.4 -2,-0.3 2,-0.7 -0.991 31.5-127.1-134.0 140.3 39.8 16.5 69.5 19 20 A L E +A 6 0A 87 -2,-0.4 2,-0.3 -13,-0.2 -13,-0.2 -0.802 48.4 178.5 -81.9 117.7 40.2 15.5 65.9 20 21 A V E -A 5 0A 33 -15,-3.0 -15,-2.2 -2,-0.7 2,-0.5 -0.910 36.5-118.8-131.2 145.4 43.2 13.2 66.2 21 22 A D E +A 4 0A 108 -2,-0.3 -17,-0.2 -17,-0.2 -19,-0.0 -0.752 48.9 158.9 -79.6 129.9 45.4 11.0 64.0 22 23 A T E -A 3 0A 22 -19,-2.7 -19,-2.4 -2,-0.5 -2,-0.0 -0.972 41.0 -87.9-151.9 157.9 45.1 7.4 65.3 23 24 A P E -A 2 0A 88 0, 0.0 -21,-0.2 0, 0.0 3,-0.1 -0.260 47.7 -98.2 -68.8 158.0 45.6 3.8 64.1 24 25 A T - 0 0 36 -23,-2.7 84,-0.1 1,-0.1 -21,-0.0 -0.472 52.8 -92.9 -68.9 144.8 43.0 1.8 62.4 25 26 A P - 0 0 35 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.269 35.8-119.6 -56.6 144.4 41.2 -0.6 64.8 26 27 A E - 0 0 184 -3,-0.1 2,-0.4 83,-0.1 6,-0.1 -0.580 29.6-157.5 -75.1 148.7 42.4 -4.2 65.1 27 28 A Y - 0 0 78 -2,-0.2 6,-0.1 4,-0.1 51,-0.0 -0.999 7.4-134.0-133.4 137.9 39.9 -6.8 64.2 28 29 A R > - 0 0 154 -2,-0.4 3,-1.7 4,-0.1 51,-0.1 -0.205 39.5 -92.6 -75.1 174.9 39.8 -10.5 65.2 29 30 A K T 3 S+ 0 0 138 1,-0.3 52,-2.4 50,-0.2 53,-0.4 0.673 128.7 46.6 -66.0 -19.7 39.1 -13.4 62.9 30 31 A N T 3 S+ 0 0 73 51,-0.2 -1,-0.3 50,-0.1 2,-0.2 0.217 108.0 69.5-105.1 14.1 35.4 -13.2 63.6 31 32 A Q < - 0 0 38 -3,-1.7 48,-2.0 80,-0.2 2,-0.3 -0.621 66.8-142.1-119.7 179.8 35.2 -9.4 63.2 32 33 A X E -DE 78 110B 0 78,-2.0 78,-1.8 46,-0.2 2,-0.5 -0.931 13.8-121.5-140.4 162.5 35.5 -6.9 60.3 33 34 A L E -DE 77 109B 3 44,-2.7 43,-3.0 -2,-0.3 44,-1.6 -0.947 29.4-161.3-108.3 129.5 36.8 -3.4 59.4 34 35 A I E -DE 75 108B 0 74,-2.9 74,-1.8 -2,-0.5 2,-0.7 -0.929 18.6-137.8-115.4 129.1 34.3 -0.9 58.1 35 36 A K E -DE 74 107B 60 39,-3.4 39,-2.6 -2,-0.4 2,-0.3 -0.786 36.6-130.4 -77.9 115.8 34.9 2.3 56.2 36 37 A V E +D 73 0B 0 70,-2.6 37,-0.3 -2,-0.7 3,-0.1 -0.541 36.1 170.3 -79.1 127.6 32.5 4.7 58.0 37 38 A H E S+ 0 0 34 35,-2.9 280,-2.1 1,-0.4 279,-1.8 0.765 72.1 5.5 -97.5 -36.9 30.2 6.8 55.8 38 39 A A E -DF 72 315B 0 34,-2.0 34,-2.2 277,-0.2 -1,-0.4 -0.994 55.0-174.5-150.0 151.4 28.0 8.2 58.7 39 40 A A E - F 0 314B 0 275,-2.1 275,-3.3 -2,-0.3 32,-0.2 -0.951 17.4-144.3-149.7 126.0 27.8 8.1 62.5 40 41 A S E - F 0 313B 0 88,-0.7 30,-0.5 30,-0.4 29,-0.4 -0.564 13.9-122.3 -96.5 156.3 25.0 9.6 64.7 41 42 A L - 0 0 2 271,-2.0 271,-0.4 -2,-0.2 -1,-0.0 -0.724 25.1-176.8 -94.1 142.6 25.2 11.2 68.1 42 43 A N >> - 0 0 8 -2,-0.3 3,-1.9 269,-0.1 4,-0.6 -0.963 39.4-112.9-131.6 153.2 23.4 10.1 71.2 43 44 A P H >> S+ 0 0 58 0, 0.0 4,-2.1 0, 0.0 3,-0.7 0.827 113.6 69.9 -52.6 -36.1 23.2 11.6 74.7 44 45 A I H 3> S+ 0 0 55 1,-0.2 4,-1.6 2,-0.2 5,-0.2 0.827 91.9 63.4 -49.3 -33.3 25.2 8.6 76.1 45 46 A D H <> S+ 0 0 0 -3,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.922 107.3 38.2 -58.1 -48.2 28.1 10.2 74.1 46 47 A Y H S+ 0 0 64 -4,-2.1 6,-2.4 2,-0.2 5,-1.0 0.791 111.5 45.3 -68.3 -31.0 27.4 11.7 79.5 48 49 A T H ><5S+ 0 0 0 -4,-1.6 3,-1.0 -5,-0.3 -2,-0.2 0.946 113.8 49.1 -73.3 -50.1 30.4 9.5 78.9 49 50 A R H 3<5S+ 0 0 1 -4,-2.1 -37,-1.9 1,-0.3 -2,-0.2 0.830 112.3 46.6 -59.8 -39.0 32.6 12.5 77.8 50 51 A N T 3<5S- 0 0 52 -4,-2.5 -1,-0.3 -39,-0.3 -2,-0.2 0.584 113.0-120.7 -83.2 -7.5 31.6 14.5 80.9 51 52 A G T < 5S+ 0 0 31 -3,-1.0 -3,-0.2 -4,-0.4 -2,-0.1 0.480 82.9 110.9 90.3 5.2 32.2 11.5 83.1 52 53 A S < + 0 0 67 -5,-1.0 -4,-0.2 -6,-0.2 -5,-0.1 0.793 57.2 85.8 -82.1 -29.5 28.8 11.2 84.6 53 54 A G S > S- 0 0 17 -6,-2.4 4,-0.6 -9,-0.1 3,-0.1 -0.145 84.7-116.0 -75.7 166.1 27.7 7.9 82.9 54 55 A F H >> S+ 0 0 141 1,-0.2 4,-0.9 2,-0.2 3,-0.6 0.805 116.0 59.8 -67.3 -32.0 28.4 4.3 84.0 55 56 A V H >> S+ 0 0 12 1,-0.2 4,-1.8 2,-0.2 3,-0.6 0.867 96.9 61.0 -64.9 -35.3 30.5 3.8 80.8 56 57 A A H 3> S+ 0 0 3 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.779 94.8 64.2 -58.6 -29.5 32.8 6.6 82.1 57 58 A K H << S+ 0 0 151 -3,-0.6 3,-0.3 -4,-0.6 4,-0.3 0.907 106.9 40.7 -59.7 -44.7 33.4 4.4 85.1 58 59 A K H << S+ 0 0 106 -4,-0.9 3,-0.4 -3,-0.6 -2,-0.2 0.823 116.1 48.8 -75.5 -34.9 35.1 1.7 82.9 59 60 A L H >< S+ 0 0 11 -4,-1.8 3,-2.0 1,-0.2 4,-0.3 0.513 83.2 101.5 -80.4 -6.6 37.0 4.2 80.7 60 61 A K T 3< S+ 0 0 133 -4,-0.7 3,-0.3 -3,-0.3 -1,-0.2 0.848 94.5 25.6 -46.9 -48.3 38.3 6.1 83.8 61 62 A N T 3 S+ 0 0 135 -3,-0.4 -1,-0.3 -4,-0.3 -2,-0.1 0.146 117.1 66.8-103.3 18.9 41.7 4.5 83.7 62 63 A N S < S+ 0 0 113 -3,-2.0 -2,-0.2 3,-0.0 -1,-0.2 0.085 78.1 168.2-131.7 23.1 41.7 3.8 79.9 63 64 A L + 0 0 46 -3,-0.3 -54,-0.1 -4,-0.3 2,-0.1 -0.479 44.3 69.1 -81.8 157.7 41.7 7.3 78.2 64 65 A P S S+ 0 0 69 0, 0.0 2,-0.3 0, 0.0 -55,-0.2 0.466 74.1 175.7 -70.4 153.3 42.1 8.6 75.6 65 66 A S B -C 8 0A 9 -57,-1.8 -57,-1.6 -2,-0.1 37,-0.1 -0.940 27.1-131.6-128.9 148.2 38.8 7.1 74.3 66 67 A G - 0 0 15 35,-0.6 2,-0.3 -2,-0.3 36,-0.2 -0.120 26.6-137.0 -74.7-173.1 36.8 7.5 71.1 67 68 A L + 0 0 1 -61,-0.4 37,-3.0 37,-0.1 -61,-0.2 -0.983 48.0 58.4-147.3 156.1 33.0 8.1 71.1 68 69 A G - 0 0 0 -2,-0.3 34,-2.2 35,-0.2 35,-1.6 0.268 35.3-158.6 101.2 140.0 29.8 6.9 69.4 69 70 A Y + 0 0 2 -29,-0.4 26,-2.2 32,-0.2 2,-0.4 0.630 68.3 81.8-118.0 -28.0 28.1 3.6 68.9 70 71 A D E + G 0 94B 0 -30,-0.5 -30,-0.4 24,-0.2 2,-0.3 -0.694 56.8 161.2 -90.3 133.6 25.9 4.2 65.8 71 72 A F E - G 0 93B 0 22,-2.4 22,-2.2 -2,-0.4 2,-0.3 -0.981 27.9-163.8-151.4 164.7 27.4 3.8 62.3 72 73 A S E +DG 38 92B 0 -34,-2.2 -35,-2.9 -2,-0.3 -34,-2.0 -0.986 38.9 100.5-146.2 139.3 26.8 3.3 58.6 73 74 A G E -DG 36 91B 0 18,-2.6 18,-3.3 -2,-0.3 2,-0.4 -0.992 58.8 -56.7 172.2-164.8 29.5 2.3 56.0 74 75 A E E -DG 35 90B 61 -39,-2.6 -39,-3.4 -2,-0.3 2,-0.5 -0.908 41.5-119.5-116.2 135.7 31.3 -0.2 53.8 75 76 A V E +D 34 0B 0 14,-2.3 13,-2.8 -2,-0.4 -41,-0.2 -0.622 37.5 166.6 -73.8 122.7 33.0 -3.4 54.8 76 77 A I E + 0 0 54 -43,-3.0 2,-0.3 -2,-0.5 -42,-0.2 0.755 62.0 22.5-110.0 -39.0 36.7 -3.1 53.8 77 78 A E E -D 33 0B 83 -44,-1.6 -44,-2.7 9,-0.1 -1,-0.4 -0.979 65.6-159.7-133.1 147.4 38.4 -6.0 55.5 78 79 A L E -D 32 0B 42 -2,-0.3 -46,-0.2 -46,-0.2 -48,-0.1 -0.962 20.7-116.5-126.7 143.6 37.1 -9.3 56.9 79 80 A G > - 0 0 9 -48,-2.0 3,-1.2 -2,-0.4 -50,-0.2 -0.318 35.1-107.1 -68.8 160.2 38.4 -11.7 59.5 80 81 A S T 3 S+ 0 0 96 1,-0.2 -50,-0.1 -2,-0.0 -1,-0.1 0.788 116.0 45.0 -58.5 -31.6 39.2 -15.3 58.4 81 82 A D T 3 S+ 0 0 107 -52,-2.4 2,-0.6 -50,-0.1 -1,-0.2 0.258 77.7 115.9-105.8 11.1 36.2 -16.8 60.0 82 83 A V < + 0 0 21 -3,-1.2 -51,-0.1 -53,-0.4 -52,-0.1 -0.738 35.9 174.7 -84.5 121.8 33.4 -14.4 59.0 83 84 A N + 0 0 142 -2,-0.6 -1,-0.1 1,-0.1 -53,-0.0 0.842 64.8 40.8 -98.1 -41.3 30.9 -16.4 56.8 84 85 A N S S+ 0 0 155 2,-0.0 2,-0.3 0, 0.0 -1,-0.1 0.440 98.3 76.1-101.0 -3.3 27.8 -14.2 55.9 85 86 A V - 0 0 10 4,-0.0 2,-0.3 32,-0.0 -7,-0.0 -0.812 61.7-156.2-104.8 150.6 29.4 -10.8 55.2 86 87 A N > - 0 0 106 -2,-0.3 3,-1.8 -9,-0.0 -11,-0.2 -0.923 29.0 -97.2-122.2 152.4 31.3 -9.8 52.0 87 88 A I T 3 S+ 0 0 98 -2,-0.3 -11,-0.2 1,-0.2 3,-0.1 -0.463 112.9 29.1 -61.4 132.6 33.9 -7.1 51.2 88 89 A G T 3 S+ 0 0 32 -13,-2.8 -1,-0.2 1,-0.3 -12,-0.1 0.245 85.3 141.3 96.5 -11.9 32.1 -4.2 49.7 89 90 A D < - 0 0 36 -3,-1.8 -14,-2.3 -14,-0.1 2,-0.5 -0.383 52.5-128.6 -63.9 137.7 28.8 -4.8 51.5 90 91 A K E +G 74 0B 98 -16,-0.2 28,-2.4 28,-0.2 2,-0.3 -0.811 39.9 179.4 -87.9 125.4 27.0 -1.6 52.7 91 92 A V E -GH 73 117B 0 -18,-3.3 -18,-2.6 -2,-0.5 2,-0.3 -0.858 23.0-165.9-133.4 162.4 26.2 -2.1 56.4 92 93 A X E +GH 72 116B 0 24,-2.2 24,-2.5 -2,-0.3 2,-0.3 -0.992 35.7 87.8-146.8 144.3 24.6 -0.3 59.4 93 94 A G E -GH 71 115B 0 -22,-2.2 -22,-2.4 -2,-0.3 2,-0.4 -0.979 65.8 -44.5 166.4-151.8 24.7 -1.1 63.1 94 95 A I E -G 70 0B 6 20,-2.4 2,-0.4 -2,-0.3 17,-0.3 -0.937 40.5-166.3-120.7 137.8 26.4 -0.6 66.4 95 96 A A + 0 0 0 -26,-2.2 7,-0.4 -2,-0.4 8,-0.2 -0.983 65.8 0.6-129.3 137.1 30.1 -0.8 67.2 96 97 A G S > S- 0 0 30 -2,-0.4 4,-2.4 13,-0.2 -1,-0.1 0.671 84.4-159.7 70.4 20.1 32.0 -1.1 70.4 97 98 A F T 4 - 0 0 94 1,-0.2 -1,-0.2 2,-0.2 2,-0.1 -0.661 57.0 -14.0 -85.8 130.0 28.9 -1.1 72.6 98 99 A P T 4 S+ 0 0 51 0, 0.0 -1,-0.2 0, 0.0 -3,-0.0 -0.956 135.0 31.9 -99.5 -21.9 29.2 -0.4 75.5 99 100 A D T 4 S+ 0 0 50 1,-0.2 -2,-0.2 -2,-0.1 -3,-0.1 0.546 117.5 45.3 -83.1 -8.1 32.8 -0.4 76.7 100 101 A H < - 0 0 146 -4,-2.4 -1,-0.2 -35,-0.1 -33,-0.1 -0.424 69.9-174.0-132.4 60.5 34.7 0.7 73.5 101 102 A P + 0 0 4 0, 0.0 -35,-0.6 0, 0.0 -32,-0.2 -0.312 22.9 145.6 -60.8 140.5 32.8 3.6 71.9 102 103 A C + 0 0 35 -34,-2.2 -34,-0.2 -7,-0.4 5,-0.2 0.330 23.8 108.5-163.3 5.6 34.5 4.4 68.6 103 104 A C + 0 0 0 -35,-1.6 2,-2.7 -8,-0.2 -35,-0.2 0.670 55.7 87.3 -88.2 -18.5 32.2 5.6 65.8 104 105 A Y S S+ 0 0 1 -37,-3.0 -98,-2.9 -98,-0.2 2,-0.3 -0.502 86.8 83.6 -70.9 73.0 33.2 9.3 65.6 105 106 A A B S-B 5 0A 2 -2,-2.7 -100,-0.2 -100,-0.2 211,-0.1 -0.985 90.7-108.1-171.8 162.6 35.9 8.0 63.2 106 107 A E S S+ 0 0 32 -102,-1.9 -70,-2.6 -2,-0.3 2,-0.3 0.718 102.8 29.8 -79.2 -23.8 36.8 7.0 59.6 107 108 A Y E -E 35 0B 49 -103,-0.3 2,-0.3 -72,-0.2 -72,-0.2 -0.999 64.6-175.3-137.8 141.4 37.0 3.3 60.4 108 109 A V E -E 34 0B 0 -74,-1.8 -74,-2.9 -2,-0.3 2,-0.4 -0.952 22.0-131.1-130.9 155.2 35.3 1.0 63.0 109 110 A C E +E 33 0B 20 -2,-0.3 2,-0.3 -76,-0.2 -13,-0.2 -0.878 36.0 172.3 -99.1 136.5 35.7 -2.6 64.0 110 111 A A E -E 32 0B 3 -78,-1.8 -78,-2.0 -2,-0.4 -15,-0.1 -0.992 31.4-125.3-147.2 153.1 32.4 -4.6 64.2 111 112 A S > - 0 0 26 -2,-0.3 3,-1.4 -17,-0.3 -80,-0.2 -0.682 28.2-123.3 -89.4 147.9 31.0 -8.1 64.8 112 113 A P G > S+ 0 0 40 0, 0.0 3,-0.7 0, 0.0 -1,-0.1 0.689 111.0 66.3 -62.9 -15.9 28.6 -9.5 62.2 113 114 A D G 3 S+ 0 0 114 1,-0.2 155,-0.2 3,-0.0 -3,-0.0 0.669 101.1 47.2 -77.6 -19.2 26.1 -9.9 65.1 114 115 A T G < S+ 0 0 43 -3,-1.4 -20,-2.4 -20,-0.1 2,-0.3 0.053 108.1 60.1-113.7 25.2 25.8 -6.1 65.6 115 116 A I E < -H 93 0B 7 -3,-0.7 2,-0.3 -22,-0.2 -22,-0.2 -0.935 55.5-164.0-137.9 164.1 25.2 -5.1 62.0 116 117 A I E -H 92 0B 12 -24,-2.5 -24,-2.2 -2,-0.3 2,-0.3 -0.927 40.0 -86.1-135.2 167.8 22.8 -5.6 59.1 117 118 A Q E -H 91 0B 80 -2,-0.3 2,-0.3 -26,-0.2 -26,-0.3 -0.596 47.1-120.7 -67.7 128.4 22.9 -5.0 55.4 118 119 A K - 0 0 19 -28,-2.4 -28,-0.2 -2,-0.3 2,-0.1 -0.601 28.5-117.6 -67.2 129.8 21.8 -1.4 54.6 119 120 A L > - 0 0 65 -2,-0.3 3,-0.9 1,-0.1 8,-0.1 -0.421 20.8-121.0 -64.6 145.8 18.8 -1.4 52.4 120 121 A E T 3 S+ 0 0 151 1,-0.2 -1,-0.1 -2,-0.1 -2,-0.0 0.886 110.4 55.7 -59.3 -41.0 19.5 0.3 49.0 121 122 A K T 3 S+ 0 0 166 2,-0.0 2,-0.3 155,-0.0 -1,-0.2 0.719 91.7 89.1 -67.6 -23.0 16.7 2.9 49.5 122 123 A L S < S- 0 0 1 -3,-0.9 2,-0.1 4,-0.0 157,-0.1 -0.596 75.4-135.1 -74.7 132.7 18.3 4.1 52.8 123 124 A S > - 0 0 50 -2,-0.3 4,-2.4 1,-0.1 5,-0.1 -0.459 24.0-114.2 -74.4 160.5 20.9 6.8 52.7 124 125 A F H > S+ 0 0 41 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.891 118.4 53.8 -61.7 -41.4 24.0 6.2 54.8 125 126 A L H > S+ 0 0 32 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.901 110.8 45.8 -59.7 -44.3 23.0 9.2 57.0 126 127 A Q H > S+ 0 0 55 1,-0.2 4,-0.8 2,-0.2 3,-0.3 0.916 111.5 52.8 -63.1 -43.4 19.6 7.7 57.6 127 128 A A H < S+ 0 0 0 -4,-2.4 3,-0.3 1,-0.2 -2,-0.2 0.840 110.5 46.2 -63.0 -36.2 21.1 4.3 58.3 128 129 A A H < S+ 0 0 0 -4,-2.1 -88,-0.7 1,-0.2 4,-0.3 0.705 110.0 54.8 -79.9 -21.3 23.5 5.7 61.0 129 130 A S H < S+ 0 0 0 -4,-1.1 4,-0.3 -3,-0.3 -1,-0.2 0.616 103.1 59.0 -84.5 -13.0 20.8 7.7 62.7 130 131 A L S X>S+ 0 0 0 -4,-0.8 4,-2.9 -3,-0.3 5,-0.5 0.882 81.0 71.6 -89.3 -44.7 18.5 4.7 63.2 131 132 A P H >5S+ 0 0 0 0, 0.0 4,-2.1 0, 0.0 5,-0.3 0.875 106.1 29.0 -53.1 -59.9 20.0 1.9 65.3 132 133 A T H >5S+ 0 0 15 -4,-0.3 4,-2.2 2,-0.2 5,-0.2 0.976 127.3 41.2 -65.4 -55.7 20.2 3.3 68.9 133 134 A A H >5S+ 0 0 0 -4,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.911 120.4 43.5 -59.2 -47.3 17.2 5.7 68.7 134 135 A G H X5S+ 0 0 0 -4,-2.9 4,-2.4 2,-0.2 -1,-0.2 0.900 113.8 47.9 -67.6 -46.1 15.0 3.2 66.8 135 136 A L H XS+ 0 0 0 -4,-2.1 5,-1.7 -5,-0.3 -2,-0.2 0.882 114.1 49.1 -61.0 -39.0 7.0 0.2 73.5 142 143 A N H ><5S+ 0 0 73 -4,-2.4 3,-1.3 2,-0.2 -2,-0.2 0.883 107.0 53.6 -67.2 -42.9 7.3 -3.6 73.6 143 144 A Q H 3<5S+ 0 0 74 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.890 109.6 49.9 -57.9 -38.1 8.3 -3.6 77.3 144 145 A A T 3<5S- 0 0 9 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.492 106.0-134.5 -76.5 -5.5 5.1 -1.6 77.9 145 146 A E T < 5 - 0 0 147 -3,-1.3 2,-0.2 1,-0.2 -3,-0.2 0.900 29.7-164.5 48.8 48.6 3.1 -4.2 75.9 146 147 A V < + 0 0 12 -5,-1.7 2,-0.3 4,-0.0 -1,-0.2 -0.453 11.8 177.7 -65.6 127.4 1.3 -1.4 74.0 147 148 A K > - 0 0 151 -2,-0.2 3,-1.6 26,-0.1 25,-0.1 -0.807 41.7 -72.7-121.9 168.2 -1.9 -2.6 72.1 148 149 A Q T 3 S+ 0 0 164 -2,-0.3 26,-0.2 1,-0.2 25,-0.1 -0.388 119.9 30.3 -60.3 137.2 -4.5 -0.8 70.0 149 150 A G T 3 S+ 0 0 54 24,-1.9 -1,-0.2 1,-0.4 25,-0.1 -0.025 90.7 125.6 100.9 -27.7 -6.8 1.3 72.3 150 151 A D < - 0 0 39 -3,-1.6 25,-2.5 1,-0.1 2,-0.5 -0.287 58.8-130.6 -67.2 146.0 -4.1 2.0 74.9 151 152 A V E -j 175 0C 25 23,-0.2 62,-1.7 60,-0.1 63,-1.5 -0.871 27.4-168.6 -95.5 131.0 -3.2 5.6 76.0 152 153 A V E -jk 176 214C 0 23,-3.3 25,-3.3 -2,-0.5 2,-0.6 -0.983 14.6-157.8-129.3 126.3 0.5 6.2 75.9 153 154 A L E -jk 177 215C 0 61,-2.6 63,-2.9 -2,-0.4 2,-0.6 -0.920 11.3-171.9-101.3 117.1 2.4 9.1 77.3 154 155 A I E -jk 178 216C 0 23,-2.9 25,-1.2 -2,-0.6 3,-0.5 -0.939 12.0-150.0-111.9 107.4 5.9 9.6 75.7 155 156 A H S S+ 0 0 3 61,-1.9 63,-0.1 -2,-0.6 25,-0.1 -0.437 79.2 20.5 -70.4 151.0 8.0 12.2 77.4 156 157 A A S > S+ 0 0 38 23,-0.4 3,-1.2 -2,-0.1 6,-0.5 0.924 75.5 171.5 58.5 49.1 10.5 14.2 75.3 157 158 A G T 3 + 0 0 0 22,-1.4 9,-0.2 -3,-0.5 23,-0.1 0.692 65.5 58.8 -66.2 -23.4 8.6 13.4 72.1 158 159 A A T 3 S+ 0 0 8 21,-0.4 152,-2.9 4,-0.2 -1,-0.2 0.557 93.4 85.7 -85.9 -8.4 10.6 15.7 69.8 159 160 A G S <> S- 0 0 17 -3,-1.2 4,-2.1 150,-0.3 5,-0.3 0.067 96.9 -73.2 -86.8-166.6 14.0 14.1 70.5 160 161 A G H > S+ 0 0 20 150,-0.3 4,-0.6 1,-0.2 126,-0.1 0.948 128.6 22.4 -53.3 -64.0 16.0 11.2 69.1 161 162 A V H >> S+ 0 0 28 1,-0.1 4,-2.4 2,-0.1 3,-0.7 0.918 121.1 60.2 -71.6 -44.5 14.1 8.3 70.6 162 163 A G H 3> S+ 0 0 1 -6,-0.5 4,-3.0 1,-0.2 5,-0.2 0.877 98.5 52.3 -54.1 -52.2 10.8 10.2 71.1 163 164 A H H 3X S+ 0 0 0 -4,-2.1 4,-1.0 1,-0.2 -1,-0.2 0.791 115.0 44.3 -63.1 -27.9 10.0 11.2 67.6 164 165 A L H S+ 0 0 0 -4,-3.2 5,-2.0 -5,-0.2 4,-0.4 0.863 109.4 50.9 -66.2 -37.9 3.1 4.1 68.9 170 171 A K H ><5S+ 0 0 116 -4,-2.0 3,-1.4 1,-0.2 -2,-0.2 0.904 107.6 53.2 -64.4 -42.8 0.7 5.6 66.4 171 172 A Q H 3<5S+ 0 0 84 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.734 103.0 58.3 -65.3 -23.9 1.3 2.7 64.0 172 173 A K T 3<5S- 0 0 68 -4,-1.0 -1,-0.3 -5,-0.1 -2,-0.2 0.589 121.1-110.3 -78.4 -12.5 0.3 0.3 66.9 173 174 A G T < 5 + 0 0 31 -3,-1.4 -24,-1.9 -4,-0.4 2,-0.2 0.707 68.8 143.5 91.6 24.9 -3.0 2.1 67.1 174 175 A T < - 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