==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 05-FEB-08 2VNI . COMPND 2 MOLECULE: NADPH\:FERREDOXIN REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: RHODOBACTER CAPSULATUS; . AUTHOR I.PEREZ-DORADO,J.A.HERMOSO . 257 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11988.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 174 67.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 37 14.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 36 14.0 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 . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 16 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 43 16.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.8 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 2 1 3 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 0 0 1 1 2 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 . 0 0 0 2 0 1 2 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 1 1 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 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 16 A P 0 0 146 0, 0.0 89,-0.2 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 125.6 -23.4 56.1 -18.2 2 17 A D E -A 89 0A 63 87,-2.3 87,-2.9 22,-0.0 2,-0.5 -0.410 360.0-143.8 -84.8 159.4 -23.8 52.4 -17.5 3 18 A A E -A 88 0A 55 85,-0.2 2,-0.3 -2,-0.1 85,-0.2 -0.994 24.9-177.0-122.7 118.3 -26.4 50.6 -15.4 4 19 A Q E -A 87 0A 23 83,-2.1 83,-2.0 -2,-0.5 2,-0.4 -0.813 22.5-113.1-116.3 159.7 -25.0 47.6 -13.6 5 20 A T E -A 86 0A 43 -2,-0.3 17,-1.8 81,-0.2 2,-0.4 -0.760 18.7-122.9-101.5 138.4 -26.7 45.1 -11.4 6 21 A V E +D 21 0B 1 79,-2.7 78,-2.3 -2,-0.4 15,-0.3 -0.603 27.2 178.5 -73.5 126.5 -26.2 44.5 -7.7 7 22 A T E + 0 0 47 13,-2.6 2,-0.3 -2,-0.4 14,-0.2 0.484 64.9 2.5-107.6 -8.7 -25.2 40.8 -7.1 8 23 A S E -D 20 0B 40 12,-1.0 12,-2.2 74,-0.1 -1,-0.3 -0.906 56.9-162.0-174.9 147.2 -24.8 40.9 -3.3 9 24 A V E -D 19 0B 36 -2,-0.3 2,-0.4 10,-0.2 10,-0.2 -0.988 4.7-175.2-137.4 145.4 -25.2 43.2 -0.3 10 25 A R E -D 18 0B 108 8,-2.6 8,-2.6 -2,-0.3 2,-0.5 -0.966 13.5-149.5-145.0 125.5 -23.9 43.0 3.2 11 26 A H E +D 17 0B 102 -2,-0.4 6,-0.2 6,-0.2 3,-0.1 -0.823 15.9 175.3 -97.3 129.3 -24.6 45.4 6.1 12 27 A W E - 0 0 43 4,-2.5 2,-0.3 -2,-0.5 5,-0.2 0.849 63.7 -16.1 -98.3 -46.2 -21.8 45.9 8.7 13 28 A T E > S-D 16 0B 24 3,-1.6 3,-0.6 134,-0.1 -1,-0.3 -0.820 82.1 -78.9-146.2-175.9 -23.2 48.5 11.1 14 29 A D T 3 S+ 0 0 137 -2,-0.3 3,-0.1 1,-0.2 -3,-0.0 0.482 132.5 31.3 -69.8 -1.6 -25.9 51.1 11.2 15 30 A T T 3 S+ 0 0 30 1,-0.1 53,-1.2 54,-0.1 2,-0.4 0.368 112.6 64.5-135.1 1.5 -23.7 53.3 9.0 16 31 A L E < +DE 13 67B 4 -3,-0.6 -4,-2.5 51,-0.2 -3,-1.6 -0.985 46.2 153.2-136.5 140.2 -21.7 50.9 6.8 17 32 A F E -DE 11 66B 0 49,-2.2 49,-3.3 -2,-0.4 2,-0.3 -0.987 21.5-149.6-156.4 156.9 -22.4 48.4 4.1 18 33 A S E +DE 10 65B 1 -8,-2.6 -8,-2.6 -2,-0.3 2,-0.3 -0.927 15.9 177.5-128.1 154.4 -20.7 46.8 1.1 19 34 A F E -DE 9 64B 2 45,-1.7 45,-2.0 -2,-0.3 2,-0.3 -0.984 18.4-137.1-153.0 159.4 -22.1 45.5 -2.2 20 35 A R E -DE 8 63B 44 -12,-2.2 -13,-2.6 -2,-0.3 -12,-1.0 -0.908 18.6-174.2-121.2 150.1 -21.0 44.0 -5.5 21 36 A V E -DE 6 62B 0 41,-2.7 41,-2.9 -2,-0.3 -15,-0.2 -0.962 35.4 -89.5-140.7 157.7 -22.1 44.7 -9.0 22 37 A T E - E 0 61B 47 -17,-1.8 39,-0.2 -2,-0.3 38,-0.0 -0.371 45.5-129.0 -63.5 143.3 -21.6 43.4 -12.5 23 38 A R - 0 0 38 37,-0.8 2,-0.1 -19,-0.1 -1,-0.1 -0.800 19.9-109.4-100.1 138.5 -18.6 45.0 -14.2 24 39 A P > - 0 0 14 0, 0.0 3,-0.6 0, 0.0 -20,-0.0 -0.453 28.8-126.7 -62.5 134.3 -18.9 46.5 -17.7 25 40 A Q T 3 S+ 0 0 175 1,-0.2 -2,-0.0 -2,-0.1 0, 0.0 0.821 108.6 46.9 -49.8 -35.6 -16.9 44.2 -20.0 26 41 A T T 3 S+ 0 0 116 2,-0.0 -1,-0.2 0, 0.0 2,-0.0 0.765 81.2 112.8 -80.6 -30.5 -14.9 47.3 -21.2 27 42 A L < + 0 0 4 -3,-0.6 2,-0.4 65,-0.0 65,-0.1 -0.221 41.9 178.6 -52.3 119.6 -14.1 49.0 -17.9 28 43 A R + 0 0 173 63,-0.3 2,-0.3 -2,-0.0 -2,-0.0 -0.974 8.9 151.4-124.7 138.8 -10.4 48.9 -17.2 29 44 A F - 0 0 20 -2,-0.4 2,-0.5 28,-0.2 3,-0.0 -0.977 42.1-108.1-158.3 170.0 -8.7 50.4 -14.1 30 45 A R > - 0 0 88 -2,-0.3 3,-2.3 64,-0.0 93,-0.1 -0.909 50.1 -96.3-107.0 131.1 -5.8 50.2 -11.8 31 46 A S T 3 S+ 0 0 5 -2,-0.5 68,-0.4 1,-0.3 3,-0.1 -0.156 111.6 36.5 -45.6 131.7 -6.4 49.0 -8.2 32 47 A G T 3 S+ 0 0 0 21,-0.5 65,-0.3 1,-0.4 -1,-0.3 0.051 90.0 115.9 110.0 -23.1 -6.9 52.0 -6.0 33 48 A E < - 0 0 12 -3,-2.3 20,-2.3 62,-0.1 -1,-0.4 -0.253 51.8-140.5 -75.9 166.6 -8.7 54.2 -8.4 34 49 A F E -BC 52 94A 43 60,-2.9 60,-1.7 18,-0.3 2,-0.3 -0.786 11.5-165.5-124.3 167.8 -12.3 55.5 -8.1 35 50 A V E -B 51 0A 1 16,-2.6 16,-2.7 -2,-0.3 2,-0.4 -0.909 30.7 -98.7-144.1 169.0 -15.3 56.1 -10.3 36 51 A M E +BC 50 90A 56 54,-0.7 54,-2.7 -2,-0.3 2,-0.3 -0.791 43.5 169.6 -94.9 136.3 -18.6 57.9 -10.0 37 52 A I E +BC 49 89A 1 12,-2.3 12,-2.8 -2,-0.4 2,-0.3 -0.890 8.0 136.9-136.9 166.1 -21.7 55.8 -9.2 38 53 A G E -BC 48 88A 1 50,-1.8 50,-3.0 -2,-0.3 2,-0.3 -0.985 37.0-109.3 179.1-169.5 -25.2 56.8 -8.2 39 54 A L E -B 47 0A 23 8,-1.5 8,-3.0 -2,-0.3 2,-0.3 -0.880 36.2 -99.4-140.7 169.5 -29.0 56.4 -8.4 40 55 A L E -B 46 0A 92 -2,-0.3 -2,-0.0 6,-0.2 0, 0.0 -0.739 31.3-136.5 -95.3 144.8 -31.9 58.5 -9.8 41 56 A D > - 0 0 28 4,-2.4 3,-0.6 -2,-0.3 -1,-0.1 0.080 43.7 -80.1 -78.3-158.5 -33.9 60.8 -7.6 42 57 A D T 3 S+ 0 0 143 1,-0.2 -2,-0.0 2,-0.1 -1,-0.0 0.874 131.4 51.8 -76.2 -36.4 -37.7 60.9 -7.9 43 58 A N T 3 S- 0 0 150 2,-0.1 -1,-0.2 1,-0.1 -3,-0.0 0.398 123.3-104.9 -79.3 4.3 -37.8 63.2 -10.9 44 59 A G S < S+ 0 0 41 -3,-0.6 -2,-0.1 1,-0.3 -1,-0.1 0.683 74.3 143.1 81.4 18.7 -35.4 60.8 -12.6 45 60 A K - 0 0 139 1,-0.1 -4,-2.4 2,-0.0 -1,-0.3 -0.813 53.9-111.0 -95.7 129.5 -32.3 63.0 -12.2 46 61 A P E -B 40 0A 71 0, 0.0 2,-0.6 0, 0.0 -6,-0.2 -0.242 20.0-158.1 -60.0 139.0 -29.0 61.2 -11.4 47 62 A I E -B 39 0A 22 -8,-3.0 -8,-1.5 -6,-0.1 2,-0.3 -0.967 23.3-174.5-118.6 105.3 -27.4 61.6 -8.0 48 63 A M E +B 38 0A 47 -2,-0.6 2,-0.3 -10,-0.2 -10,-0.2 -0.832 11.8 174.8-109.5 146.0 -23.7 60.8 -8.5 49 64 A R E -B 37 0A 107 -12,-2.8 -12,-2.3 -2,-0.3 2,-0.2 -0.993 36.0-103.3-145.9 147.7 -20.9 60.5 -6.0 50 65 A A E -B 36 0A 57 -2,-0.3 2,-0.3 -14,-0.2 -14,-0.2 -0.476 40.5-178.7 -71.1 141.5 -17.2 59.4 -6.2 51 66 A Y E -B 35 0A 25 -16,-2.7 -16,-2.6 -2,-0.2 2,-0.1 -0.972 26.6-126.6-146.1 127.5 -16.5 55.9 -4.9 52 67 A S E -B 34 0A 19 -2,-0.3 2,-0.9 -18,-0.3 13,-0.4 -0.458 33.5-114.9 -67.0 143.1 -13.2 54.0 -4.7 53 68 A I - 0 0 0 -20,-2.3 -21,-0.5 1,-0.2 11,-0.2 -0.763 27.1-163.8 -83.7 109.6 -13.5 50.6 -6.3 54 69 A A + 0 0 0 9,-1.7 10,-0.2 -2,-0.9 -1,-0.2 0.572 65.2 76.8 -70.0 -13.1 -13.1 48.3 -3.3 55 70 A S S S- 0 0 0 8,-0.7 -23,-0.3 1,-0.1 67,-0.2 -0.742 89.0-100.6-101.8 150.2 -12.3 45.3 -5.6 56 71 A P > - 0 0 0 0, 0.0 3,-1.5 0, 0.0 67,-0.1 -0.200 33.8-106.3 -64.9 157.9 -8.9 44.5 -7.4 57 72 A A T 3 S+ 0 0 25 1,-0.3 -28,-0.2 65,-0.1 69,-0.1 0.766 118.5 52.6 -55.5 -29.6 -8.4 45.3 -11.0 58 73 A W T 3 S+ 0 0 160 2,-0.0 2,-0.4 0, 0.0 -1,-0.3 0.610 80.8 109.7 -84.5 -13.7 -8.5 41.5 -11.9 59 74 A D < - 0 0 21 -3,-1.5 -4,-0.1 1,-0.2 4,-0.1 -0.515 63.4-145.9 -70.3 121.0 -11.9 40.8 -10.2 60 75 A E S S+ 0 0 175 -2,-0.4 -37,-0.8 2,-0.0 2,-0.3 0.609 84.9 54.4 -60.9 -14.3 -14.6 40.2 -12.7 61 76 A E E S-E 22 0B 57 -39,-0.2 2,-0.4 -54,-0.0 -39,-0.2 -0.848 84.5-124.2-119.1 157.8 -17.1 41.9 -10.4 62 77 A L E -E 21 0B 0 -41,-2.9 -41,-2.7 -2,-0.3 2,-0.3 -0.851 23.2-164.5-103.8 138.5 -17.0 45.3 -8.8 63 78 A E E -E 20 0B 5 -2,-0.4 -9,-1.7 -43,-0.2 -8,-0.7 -0.882 3.4-169.0-120.3 152.6 -17.2 45.9 -5.1 64 79 A F E -E 19 0B 0 -45,-2.0 -45,-1.7 -2,-0.3 2,-0.5 -0.996 14.1-151.1-141.2 143.9 -17.9 49.0 -3.0 65 80 A Y E -E 18 0B 5 -13,-0.4 2,-0.4 -2,-0.3 -47,-0.2 -0.980 31.4-168.3-115.3 123.6 -17.6 49.9 0.7 66 81 A S E -E 17 0B 0 -49,-3.3 -49,-2.2 -2,-0.5 2,-0.1 -0.906 23.4-140.1-129.2 148.4 -20.1 52.6 1.6 67 82 A I E -E 16 0B 41 -2,-0.4 2,-0.5 -51,-0.2 -51,-0.2 -0.416 21.4-134.2 -86.8 167.0 -21.1 55.0 4.3 68 83 A K + 0 0 14 -53,-1.2 8,-0.1 -2,-0.1 -52,-0.0 -0.953 23.8 175.7-127.5 107.9 -24.8 55.7 5.3 69 84 A V > - 0 0 46 -2,-0.5 3,-3.7 3,-0.1 7,-0.3 -0.797 21.1-150.2-112.2 85.3 -25.6 59.3 5.7 70 85 A P T 3 S+ 0 0 78 0, 0.0 -2,-0.1 0, 0.0 4,-0.0 -0.413 94.6 30.6 -56.2 132.6 -29.4 59.5 6.3 71 86 A D T 3 S+ 0 0 161 1,-0.4 3,-0.1 2,-0.1 4,-0.0 0.272 94.3 125.7 95.2 -5.5 -30.3 63.0 4.8 72 87 A G <> - 0 0 11 -3,-3.7 4,-2.5 1,-0.1 5,-0.4 -0.782 67.0-133.3 -85.8 117.6 -27.5 62.3 2.4 73 88 A P T 4 S+ 0 0 68 0, 0.0 4,-0.3 0, 0.0 -1,-0.1 0.821 99.1 27.5 -37.0 -49.6 -28.9 62.6 -1.1 74 89 A L T >> S+ 0 0 4 2,-0.1 4,-3.3 1,-0.1 3,-1.1 0.962 123.4 42.5 -84.5 -56.5 -27.2 59.4 -2.3 75 90 A T H 3> S+ 0 0 10 1,-0.3 4,-1.7 2,-0.2 -1,-0.1 0.672 100.5 68.8 -70.0 -16.2 -26.8 57.1 0.6 76 91 A S H 3< S+ 0 0 30 -4,-2.5 -1,-0.3 -7,-0.3 -2,-0.1 0.862 118.9 27.4 -65.7 -30.5 -30.3 57.8 2.1 77 92 A R H X4 S+ 0 0 71 -3,-1.1 3,-2.4 -5,-0.4 4,-0.4 0.898 117.8 56.7 -91.3 -54.5 -31.3 55.9 -1.0 78 93 A L H >< S+ 0 0 2 -4,-3.3 3,-1.3 1,-0.3 -3,-0.2 0.759 94.6 67.3 -52.3 -32.0 -28.4 53.7 -1.7 79 94 A Q T 3< S+ 0 0 37 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.1 0.748 100.5 52.3 -63.0 -20.5 -28.5 52.0 1.7 80 95 A H T < S+ 0 0 117 -3,-2.4 -1,-0.3 -5,-0.1 -2,-0.2 0.602 79.6 129.6 -89.8 -12.7 -31.8 50.5 0.6 81 96 A I < - 0 0 11 -3,-1.3 2,-0.3 -4,-0.4 6,-0.0 -0.072 42.6-157.7 -46.1 135.5 -30.4 49.0 -2.6 82 97 A K > - 0 0 130 4,-0.1 3,-2.2 1,-0.0 -76,-0.3 -0.800 28.5 -84.8-118.3 160.6 -31.3 45.3 -3.0 83 98 A V T 3 S+ 0 0 89 -2,-0.3 -76,-0.2 1,-0.3 3,-0.1 -0.414 118.4 30.1 -60.7 133.6 -29.8 42.4 -5.0 84 99 A G T 3 S+ 0 0 54 -78,-2.3 -1,-0.3 1,-0.5 -77,-0.1 0.122 99.2 102.9 101.0 -22.0 -31.3 42.6 -8.5 85 100 A E < - 0 0 93 -3,-2.2 -79,-2.7 -80,-0.1 -1,-0.5 -0.331 66.0-124.9 -84.7 175.7 -31.6 46.3 -8.5 86 101 A Q E -A 5 0A 102 -81,-0.2 2,-0.3 -3,-0.1 -81,-0.2 -0.839 13.2-152.9-127.7 163.7 -29.2 48.6 -10.4 87 102 A I E -A 4 0A 3 -83,-2.0 -83,-2.1 -2,-0.3 2,-0.4 -0.938 27.9-112.4-129.8 152.4 -26.8 51.5 -9.9 88 103 A I E -AC 3 38A 30 -50,-3.0 -50,-1.8 -2,-0.3 2,-0.4 -0.718 37.1-172.8 -84.0 132.1 -25.6 54.2 -12.3 89 104 A L E -AC 2 37A 0 -87,-2.9 -87,-2.3 -2,-0.4 -52,-0.2 -0.981 22.2-152.8-134.5 122.6 -21.8 53.8 -13.0 90 105 A R E - C 0 36A 105 -54,-2.7 2,-3.5 -2,-0.4 -54,-0.7 -0.791 20.1-146.7 -91.7 97.3 -19.5 56.1 -15.0 91 106 A P E + 0 0 42 0, 0.0 -63,-0.3 0, 0.0 -1,-0.1 -0.140 63.5 110.0 -63.1 51.9 -16.9 53.7 -16.3 92 107 A K E - 0 0 124 -2,-3.5 -56,-0.2 -56,-0.1 -2,-0.1 -0.836 55.6-155.1-132.4 94.2 -14.0 56.2 -16.2 93 108 A P E + 0 0 33 0, 0.0 2,-0.3 0, 0.0 -58,-0.2 -0.362 23.6 153.3 -71.6 146.9 -11.5 55.6 -13.4 94 109 A V E + C 0 34A 69 -60,-1.7 -60,-2.9 -2,-0.1 2,-0.2 -0.874 8.6 115.8-154.9-178.8 -9.3 58.3 -11.8 95 110 A G - 0 0 27 -2,-0.3 -62,-0.1 -62,-0.2 3,-0.1 -0.491 58.8-107.6 127.9 162.0 -7.5 59.0 -8.6 96 111 A T S S+ 0 0 69 -2,-0.2 2,-1.2 1,-0.1 -1,-0.1 0.460 90.0 92.5-102.7 -5.4 -4.1 59.5 -7.0 97 112 A L + 0 0 0 -65,-0.3 2,-0.4 -3,-0.1 -1,-0.1 -0.296 56.3 128.1 -90.2 55.6 -3.9 56.1 -5.1 98 113 A V > - 0 0 3 -2,-1.2 3,-1.8 -66,-0.1 -66,-0.1 -0.871 63.8-131.8-112.1 141.3 -2.1 54.2 -7.9 99 114 A I G > S+ 0 0 7 -68,-0.4 3,-1.8 -2,-0.4 -1,-0.1 0.817 104.2 67.7 -56.1 -34.1 1.1 52.2 -7.5 100 115 A D G 3 S+ 0 0 68 1,-0.3 -1,-0.3 143,-0.0 139,-0.1 0.632 90.5 63.3 -63.6 -14.5 2.6 53.8 -10.6 101 116 A A G < S+ 0 0 3 -3,-1.8 143,-1.2 -5,-0.1 2,-0.4 0.329 94.6 76.3 -93.2 8.4 2.7 57.1 -8.7 102 117 A L B < S-f 244 0C 2 -3,-1.8 143,-0.2 141,-0.2 3,-0.1 -0.949 83.4-118.1-122.4 140.1 5.2 55.7 -6.2 103 118 A L - 0 0 61 141,-3.0 141,-0.1 -2,-0.4 -2,-0.1 -0.406 47.2 -95.8 -68.2 148.5 8.9 55.0 -6.5 104 119 A P + 0 0 87 0, 0.0 2,-0.3 0, 0.0 29,-0.1 -0.267 63.2 143.5 -62.7 158.9 9.7 51.3 -6.1 105 120 A G - 0 0 27 27,-1.0 29,-0.2 1,-0.1 106,-0.1 -0.899 55.4 -95.4-169.8-163.9 10.8 50.4 -2.6 106 121 A K S S+ 0 0 85 105,-1.4 29,-2.3 -2,-0.3 28,-1.4 0.784 97.5 41.3-104.0 -40.5 10.6 47.7 0.1 107 122 A R E -gh 135 212D 6 104,-2.8 106,-2.7 27,-0.2 2,-0.5 -0.952 60.5-166.7-121.8 126.7 7.8 48.6 2.4 108 123 A L E -gh 136 213D 0 27,-3.3 29,-2.7 -2,-0.5 2,-0.4 -0.931 9.0-157.8-112.3 123.3 4.4 50.0 1.3 109 124 A W E -gh 137 214D 0 104,-3.7 106,-1.9 -2,-0.5 2,-0.5 -0.807 7.0-160.8-103.6 141.8 2.1 51.6 3.9 110 125 A F E -gh 138 215D 0 27,-3.0 29,-2.8 -2,-0.4 2,-0.6 -0.980 12.3-170.5-117.9 114.3 -1.7 51.9 3.6 111 126 A L E +gh 139 216D 0 104,-3.1 106,-3.1 -2,-0.5 2,-0.3 -0.907 19.7 153.8-113.4 110.5 -3.0 54.6 6.0 112 127 A A E -gh 140 217D 0 27,-2.6 29,-2.6 -2,-0.6 2,-0.3 -0.955 28.6-165.5-141.2 156.5 -6.8 54.8 6.3 113 128 A T E > -g 141 0D 30 104,-1.5 3,-2.2 -2,-0.3 29,-0.2 -0.966 64.6 -23.6-133.4 149.1 -9.7 55.7 8.5 114 129 A G G > S- 0 0 23 27,-1.1 3,-1.1 -2,-0.3 4,-0.1 -0.183 132.0 -8.3 53.1-134.8 -13.4 54.9 8.1 115 130 A T G > S+ 0 0 23 1,-0.3 3,-2.5 2,-0.1 -1,-0.3 0.546 113.0 95.7 -72.0 -4.7 -14.5 54.0 4.5 116 131 A G G < + 0 0 1 -3,-2.2 -1,-0.3 1,-0.3 4,-0.3 0.580 67.3 74.3 -62.4 -8.0 -11.0 55.2 3.4 117 132 A I G X> S+ 0 0 0 -3,-1.1 4,-1.8 1,-0.2 3,-1.1 0.672 72.6 90.0 -78.1 -14.5 -10.1 51.5 3.6 118 133 A A H <> S+ 0 0 5 -3,-2.5 4,-1.1 1,-0.3 3,-0.4 0.883 85.1 45.6 -48.4 -53.8 -12.0 51.0 0.3 119 134 A P H 3> S+ 0 0 0 0, 0.0 4,-1.9 0, 0.0 -1,-0.3 0.698 115.5 49.7 -67.7 -15.6 -9.2 51.6 -2.2 120 135 A F H <> S+ 0 0 0 -3,-1.1 4,-2.7 -4,-0.3 -2,-0.2 0.690 97.2 64.9 -93.5 -21.1 -6.9 49.5 -0.0 121 136 A A H < S+ 0 0 0 -4,-1.8 4,-0.3 -3,-0.4 -1,-0.2 0.848 112.6 40.4 -63.7 -30.7 -9.5 46.6 0.1 122 137 A S H >< S+ 0 0 0 -4,-1.1 3,-1.0 -5,-0.2 -2,-0.2 0.937 116.1 46.1 -80.1 -54.1 -8.6 46.7 -3.6 123 138 A L H >< S+ 0 0 0 -4,-1.9 3,-1.3 1,-0.3 6,-0.3 0.765 105.0 61.0 -64.0 -28.3 -4.9 47.3 -3.4 124 139 A M T 3< S+ 0 0 1 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.758 109.6 43.9 -70.5 -21.5 -4.4 44.6 -0.8 125 140 A R T < S+ 0 0 46 -3,-1.0 -1,-0.3 -4,-0.3 -2,-0.2 0.190 91.8 107.8-104.7 14.8 -5.8 42.1 -3.3 126 141 A E X> - 0 0 26 -3,-1.3 3,-1.7 1,-0.1 4,-0.7 -0.850 62.1-150.3 -98.8 111.9 -3.7 43.6 -6.1 127 142 A P H >> S+ 0 0 62 0, 0.0 3,-1.0 0, 0.0 4,-0.8 0.831 92.3 66.1 -46.4 -43.5 -0.7 41.3 -7.2 128 143 A E H >> S+ 0 0 60 1,-0.3 4,-2.0 2,-0.2 3,-0.8 0.831 93.2 61.7 -52.3 -34.9 1.5 44.2 -8.2 129 144 A A H <> S+ 0 0 0 -3,-1.7 4,-0.6 -6,-0.3 -1,-0.3 0.888 106.6 44.0 -60.4 -40.2 1.6 45.4 -4.6 130 145 A Y H << S+ 0 0 35 -3,-1.0 -1,-0.2 -4,-0.7 -2,-0.2 0.531 117.1 45.3 -84.2 -7.3 3.3 42.1 -3.5 131 146 A E H << S+ 0 0 151 -4,-0.8 -2,-0.2 -3,-0.8 -1,-0.2 0.628 116.2 42.5-107.5 -19.2 5.7 42.0 -6.4 132 147 A K H < S+ 0 0 52 -4,-2.0 -27,-1.0 -5,-0.2 2,-0.3 0.480 123.1 37.9-101.7 -5.8 6.9 45.7 -6.4 133 148 A F < - 0 0 1 -4,-0.6 -27,-0.2 -5,-0.2 -1,-0.2 -0.994 63.6-148.7-144.9 145.3 7.2 45.7 -2.6 134 149 A D S S+ 0 0 97 -28,-1.4 2,-0.4 -2,-0.3 -27,-0.2 0.768 86.1 32.8 -84.5 -29.1 8.3 43.2 -0.0 135 150 A E E -g 107 0D 35 -29,-2.3 -27,-3.3 -6,-0.1 2,-0.5 -0.991 59.0-164.6-134.9 139.3 6.0 44.3 2.8 136 151 A V E -gi 108 172D 0 35,-2.9 37,-3.0 -2,-0.4 2,-0.6 -0.970 9.5-164.9-122.9 116.8 2.5 45.8 2.9 137 152 A I E -gi 109 173D 0 -29,-2.7 -27,-3.0 -2,-0.5 2,-0.7 -0.902 1.9-162.8-105.4 120.0 1.4 47.4 6.1 138 153 A M E -gi 110 174D 0 35,-2.9 37,-3.2 -2,-0.6 2,-0.7 -0.857 7.9-177.6-105.3 102.1 -2.4 48.1 6.5 139 154 A M E +gi 111 175D 0 -29,-2.8 -27,-2.6 -2,-0.7 2,-0.5 -0.886 6.2 177.2-100.8 114.0 -3.2 50.6 9.3 140 155 A H E -gi 112 176D 0 35,-1.0 37,-2.7 -2,-0.7 2,-0.5 -0.968 6.3-171.4-121.5 118.9 -6.9 51.1 9.6 141 156 A A E +gi 113 177D 7 -29,-2.6 -27,-1.1 -2,-0.5 2,-0.3 -0.942 14.6 156.1-115.0 125.4 -8.3 53.4 12.3 142 157 A C E - i 0 178D 9 35,-1.9 37,-1.1 -2,-0.5 38,-0.3 -0.856 49.0-113.1-135.4 168.5 -12.0 53.6 13.2 143 158 A R S S+ 0 0 95 -2,-0.3 38,-1.9 35,-0.2 37,-1.5 0.915 95.7 28.0 -71.2 -43.8 -14.0 54.7 16.3 144 159 A T S S- 0 0 47 36,-0.2 4,-0.2 34,-0.1 -2,-0.1 -0.698 76.0-117.5-119.0 170.3 -15.4 51.2 17.0 145 160 A V S > S+ 0 0 41 -2,-0.2 3,-1.3 1,-0.2 4,-0.4 0.835 111.0 59.7 -71.6 -34.9 -14.5 47.5 16.6 146 161 A A G > S+ 0 0 47 1,-0.3 3,-1.4 2,-0.2 4,-0.4 0.869 96.2 60.2 -63.5 -37.8 -17.5 46.9 14.4 147 162 A E G 3 S+ 0 0 24 1,-0.3 4,-0.3 2,-0.1 -1,-0.3 0.600 101.8 56.0 -68.0 -8.5 -16.4 49.4 11.8 148 163 A L G <> S+ 0 0 5 -3,-1.3 4,-2.5 -4,-0.2 -1,-0.3 0.562 82.3 91.0 -96.7 -12.0 -13.2 47.4 11.3 149 164 A E H <> S+ 0 0 46 -3,-1.4 4,-3.1 -4,-0.4 5,-0.4 0.900 80.0 53.7 -51.1 -54.8 -15.1 44.1 10.5 150 165 A Y H > S+ 0 0 3 -4,-0.4 4,-2.0 1,-0.2 -1,-0.2 0.928 114.7 42.8 -49.4 -49.8 -15.2 44.5 6.7 151 166 A G H > S+ 0 0 0 -4,-0.3 4,-3.0 2,-0.2 -1,-0.2 0.905 113.4 52.6 -64.6 -40.8 -11.5 45.0 6.6 152 167 A R H X S+ 0 0 92 -4,-2.5 4,-3.4 2,-0.2 -2,-0.2 0.952 110.7 45.5 -60.4 -52.6 -10.8 42.2 9.0 153 168 A Q H X S+ 0 0 76 -4,-3.1 4,-2.6 2,-0.2 -1,-0.2 0.897 114.0 50.2 -59.0 -41.2 -12.8 39.6 7.2 154 169 A L H X S+ 0 0 15 -4,-2.0 4,-1.2 -5,-0.4 -2,-0.2 0.973 114.6 43.1 -61.0 -54.3 -11.2 40.7 3.9 155 170 A V H X S+ 0 0 2 -4,-3.0 4,-1.8 1,-0.2 3,-0.4 0.892 113.2 53.3 -58.3 -42.2 -7.7 40.4 5.4 156 171 A E H X S+ 0 0 78 -4,-3.4 4,-1.5 1,-0.2 5,-0.2 0.937 105.7 53.2 -59.1 -47.6 -8.6 37.1 7.1 157 172 A A H X S+ 0 0 65 -4,-2.6 4,-0.7 1,-0.2 -1,-0.2 0.761 108.1 50.9 -60.4 -27.8 -9.8 35.6 3.9 158 173 A L H < S+ 0 0 23 -4,-1.2 10,-0.3 -3,-0.4 -1,-0.2 0.877 112.3 45.5 -77.1 -39.0 -6.5 36.4 2.2 159 174 A Q H < S+ 0 0 63 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.648 116.0 46.2 -78.8 -16.3 -4.4 34.9 4.9 160 175 A E H < S+ 0 0 128 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.549 79.4 127.1-100.6 -12.0 -6.5 31.8 5.1 161 176 A D X - 0 0 58 -4,-0.7 4,-2.9 -5,-0.2 5,-0.3 -0.219 63.4-133.5 -49.5 124.2 -6.7 31.2 1.3 162 177 A P T 4 S+ 0 0 102 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.840 100.8 35.0 -49.8 -39.4 -5.5 27.6 0.6 163 178 A L T 4 S+ 0 0 140 1,-0.1 4,-0.1 2,-0.1 3,-0.1 0.890 139.1 9.5 -87.4 -43.6 -3.2 28.7 -2.2 164 179 A I T > S+ 0 0 65 2,-0.1 4,-3.0 1,-0.1 5,-0.4 0.371 90.9 106.2-120.3 3.4 -1.8 32.1 -1.1 165 180 A G H X S+ 0 0 4 -4,-2.9 4,-0.7 1,-0.3 -1,-0.1 0.727 95.6 36.6 -55.2 -19.9 -3.0 32.4 2.5 166 181 A E H 4 S+ 0 0 135 -5,-0.3 -1,-0.3 2,-0.2 -2,-0.1 0.683 111.9 57.7-102.9 -27.1 0.6 31.7 3.4 167 182 A L H 4 S+ 0 0 114 1,-0.1 -2,-0.2 -4,-0.1 4,-0.2 0.912 114.5 39.2 -68.9 -43.4 2.2 33.6 0.6 168 183 A V H >X S+ 0 0 8 -4,-3.0 3,-3.0 -10,-0.3 4,-2.1 0.971 100.9 82.0 -69.1 -57.0 0.4 36.8 1.7 169 184 A E B 3< S+j 172 0D 111 -4,-0.7 4,-0.1 -5,-0.4 0, 0.0 -0.200 98.8 27.6 -47.9 137.3 0.9 36.2 5.4 170 185 A G T 34 S+ 0 0 48 2,-0.6 -1,-0.3 1,-0.1 -2,-0.1 -0.022 123.4 55.2 93.9 -32.2 4.4 37.4 6.3 171 186 A K T <4 S+ 0 0 51 -3,-3.0 -35,-2.9 1,-0.2 2,-0.5 0.695 104.5 56.5-101.4 -28.1 4.2 39.9 3.5 172 187 A L E < -ij 136 169D 3 -4,-2.1 -2,-0.6 -37,-0.2 2,-0.6 -0.928 66.5-168.7-111.2 121.5 1.0 41.5 4.6 173 188 A K E -i 137 0D 52 -37,-3.0 -35,-2.9 -2,-0.5 2,-0.6 -0.937 8.1-154.8-112.5 117.8 0.8 43.0 8.1 174 189 A Y E +i 138 0D 52 -2,-0.6 -35,-0.2 -37,-0.2 -37,-0.1 -0.812 14.6 177.0 -95.5 120.6 -2.6 44.1 9.3 175 190 A Y E +i 139 0D 1 -37,-3.2 -35,-1.0 -2,-0.6 2,-0.2 -0.673 7.5 174.5-124.2 77.0 -2.6 46.8 12.0 176 191 A P E +i 140 0D 10 0, 0.0 2,-0.3 0, 0.0 -35,-0.2 -0.592 4.4 179.3 -84.0 144.3 -6.2 47.8 13.0 177 192 A T E -i 141 0D 0 -37,-2.7 -35,-1.9 -2,-0.2 2,-0.3 -0.975 17.2-149.6-141.5 156.3 -6.9 50.3 15.8 178 193 A T E -ik 142 186D 0 7,-1.1 9,-1.6 -2,-0.3 -35,-0.2 -0.821 3.5-162.4-118.5 160.4 -9.9 51.9 17.5 179 194 A T S S+ 0 0 51 -37,-1.1 -36,-0.2 -2,-0.3 -35,-0.1 0.459 87.0 24.1-121.7 -6.5 -10.0 55.3 19.1 180 195 A R S S+ 0 0 168 -37,-1.5 -36,-0.2 -38,-0.3 -37,-0.1 0.671 109.3 59.3-119.6 -66.8 -13.2 55.0 21.2 181 196 A E S S- 0 0 98 -38,-1.9 -1,-0.2 1,-0.1 -3,-0.1 -0.367 93.0 -94.9 -72.5 148.0 -14.0 51.3 22.0 182 197 A E + 0 0 159 -2,-0.1 2,-0.3 -3,-0.1 -1,-0.1 -0.348 57.6 152.1 -62.2 138.8 -11.6 49.1 24.0 183 198 A F - 0 0 57 -5,-0.1 -5,-0.1 -3,-0.1 -6,-0.0 -0.944 58.3-103.1-166.8 147.6 -9.4 46.9 21.7 184 199 A H S S+ 0 0 133 -2,-0.3 2,-0.4 1,-0.1 -7,-0.1 0.666 112.5 36.5 -53.3 -20.4 -5.9 45.4 22.1 185 200 A H S S+ 0 0 45 -9,-0.1 -7,-1.1 2,-0.0 2,-0.2 -0.971 76.8 164.6-136.6 121.0 -4.5 48.1 19.8 186 201 A M B +k 178 0D 59 -2,-0.4 -7,-0.2 -9,-0.3 -4,-0.1 -0.653 18.1 80.8-125.6-177.9 -5.7 51.7 19.9 187 202 A G S S- 0 0 21 -9,-1.6 -7,-0.1 -2,-0.2 -8,-0.0 0.156 70.9 -69.2 98.9 147.8 -4.8 55.2 18.8 188 203 A R > - 0 0 151 1,-0.1 4,-2.5 -9,-0.1 5,-0.2 -0.258 43.1-116.6 -65.6 155.0 -4.9 57.4 15.7 189 204 A I H > S+ 0 0 1 2,-0.2 4,-1.6 1,-0.2 5,-0.2 0.950 116.0 51.3 -58.3 -49.5 -2.6 56.6 12.7 190 205 A T H > S+ 0 0 13 1,-0.2 4,-2.8 2,-0.2 3,-0.5 0.941 111.9 44.9 -53.4 -53.9 -0.8 59.9 13.2 191 206 A D H > S+ 0 0 92 1,-0.2 4,-2.6 2,-0.2 6,-0.3 0.905 113.0 49.9 -60.2 -43.5 -0.1 59.4 17.0 192 207 A N H < S+ 0 0 10 -4,-2.5 6,-1.9 1,-0.2 7,-0.4 0.739 114.8 45.0 -70.2 -20.5 1.0 55.8 16.5 193 208 A L H < S+ 0 0 0 -4,-1.6 -2,-0.2 -3,-0.5 -1,-0.2 0.875 115.0 47.3 -85.5 -42.4 3.4 56.8 13.8 194 209 A A H < S+ 0 0 62 -4,-2.8 -2,-0.2 -5,-0.2 -3,-0.2 0.944 116.0 42.4 -63.3 -51.4 4.8 59.8 15.6 195 210 A S S < S- 0 0 89 -4,-2.6 -1,-0.2 -5,-0.2 -3,-0.2 0.661 107.6-125.9 -70.7 -18.1 5.4 58.0 18.9 196 211 A G > + 0 0 18 -5,-0.3 4,-2.0 -4,-0.3 3,-0.2 0.514 69.3 132.4 84.8 4.5 6.8 55.0 17.1 197 212 A K H > S+ 0 0 65 -6,-0.3 4,-3.3 1,-0.2 5,-0.2 0.903 70.4 51.2 -56.0 -43.7 4.4 52.6 18.8 198 213 A V H > S+ 0 0 0 -6,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.878 107.0 51.5 -64.7 -37.9 3.4 50.9 15.5 199 214 A F H 4>S+ 0 0 13 -7,-0.4 5,-2.6 1,-0.2 4,-0.5 0.914 115.4 46.7 -63.0 -37.6 7.1 50.3 14.5 200 215 A E H ><5S+ 0 0 131 -4,-2.0 3,-1.2 3,-0.2 -2,-0.2 0.960 110.1 48.8 -67.0 -55.3 7.4 48.7 17.9 201 216 A D H 3<5S+ 0 0 54 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.805 117.7 42.1 -58.2 -32.0 4.3 46.6 17.9 202 217 A L T 3<5S- 0 0 36 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.477 107.9-124.9 -93.9 -4.7 5.1 45.2 14.5 203 218 A G T < 5 + 0 0 67 -3,-1.2 2,-0.3 -4,-0.5 -3,-0.2 0.950 63.5 132.6 60.4 52.0 8.8 44.7 15.3 204 219 A I < - 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