==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 30-JUL-12 4B4D . COMPND 2 MOLECULE: FERREDOXIN-NADP REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: XANTHOMONAS AXONOPODIS PV. CITRI STR. . AUTHOR M.MARTINEZ-JULVEZ,E.G.ORELLANO,M.L.TONDO,R.HURTADO-GUERRERO, . 256 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12496.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 169 66.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 13.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 32 12.5 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 0.4 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 . 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 . 20 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 40 15.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.0 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 1 4 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 0 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 PARALLEL BRIDGES PER LADDER . 2 1 0 2 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 1 0 1 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 4 A A 0 0 96 0, 0.0 2,-0.5 0, 0.0 90,-0.4 0.000 360.0 360.0 360.0 -38.4 40.9 35.4 16.8 2 5 A F - 0 0 80 88,-0.1 2,-0.2 89,-0.1 88,-0.2 -0.869 360.0-171.1-127.2 92.9 37.6 36.2 15.2 3 6 A G E -A 89 0A 30 86,-0.9 86,-2.5 -2,-0.5 2,-0.3 -0.551 28.3-108.8 -79.9 149.8 37.8 36.3 11.4 4 7 A A E -A 88 0A 39 84,-0.2 2,-0.3 -2,-0.2 84,-0.2 -0.579 31.2-170.1 -80.7 140.1 34.8 37.6 9.4 5 8 A E E -A 87 0A 28 82,-2.7 82,-2.5 -2,-0.3 2,-0.5 -0.817 25.8-110.6-117.9 165.5 32.7 35.2 7.4 6 9 A T E -A 86 0A 35 -2,-0.3 17,-1.9 80,-0.2 2,-0.2 -0.863 22.0-121.4-107.0 133.7 30.0 36.3 4.9 7 10 A V E +E 22 0B 1 78,-2.9 77,-3.0 -2,-0.5 15,-0.3 -0.507 32.0 174.6 -67.6 132.2 26.3 35.8 5.4 8 11 A L E + 0 0 56 13,-2.9 2,-0.3 1,-0.4 -1,-0.2 0.841 58.8 7.0-106.4 -67.0 24.8 33.8 2.6 9 12 A E E - 0 0 146 12,-0.3 12,-2.4 73,-0.1 -1,-0.4 -0.899 58.4-166.2-124.1 152.9 21.1 33.1 3.3 10 13 A V E -E 20 0B 42 -2,-0.3 2,-0.4 10,-0.2 10,-0.2 -0.999 4.2-176.6-138.3 135.1 18.7 34.3 6.0 11 14 A R E -E 19 0B 136 8,-2.8 8,-3.1 -2,-0.4 2,-0.6 -0.980 14.2-149.9-137.4 126.5 15.3 33.0 6.9 12 15 A H E +E 18 0B 92 -2,-0.4 6,-0.3 6,-0.2 3,-0.1 -0.827 13.9 178.4 -95.5 122.1 12.9 34.3 9.6 13 16 A W - 0 0 53 4,-2.1 2,-0.3 -2,-0.6 5,-0.2 0.888 67.6 -26.2 -84.6 -49.8 10.7 31.8 11.2 14 17 A T S S- 0 0 30 3,-1.9 -1,-0.3 133,-0.1 3,-0.2 -0.841 78.2 -77.0-147.8-177.1 8.9 34.1 13.6 15 18 A D S S+ 0 0 157 -2,-0.3 3,-0.1 1,-0.2 -3,-0.0 0.599 132.6 38.7 -58.5 -15.6 9.4 37.5 15.4 16 19 A A S S+ 0 0 34 1,-0.2 52,-1.6 51,-0.1 2,-0.4 0.564 113.6 50.0-116.1 -16.0 11.6 35.5 17.9 17 20 A Y E + F 0 67B 8 -3,-0.2 -4,-2.1 50,-0.2 -3,-1.9 -0.985 51.1 159.4-134.5 139.2 13.6 33.0 15.7 18 21 A F E -EF 12 66B 0 48,-2.3 48,-3.4 -2,-0.4 2,-0.3 -0.984 20.2-146.5-149.2 159.1 15.7 33.2 12.5 19 22 A S E +EF 11 65B 4 -8,-3.1 -8,-2.8 -2,-0.3 2,-0.3 -0.896 16.0 177.2-122.2 151.7 18.3 31.1 10.8 20 23 A F E -EF 10 64B 2 44,-2.2 44,-2.8 -2,-0.3 2,-0.3 -0.991 17.5-141.3-149.6 158.1 21.3 32.1 8.6 21 24 A T E - F 0 63B 18 -12,-2.4 -13,-2.9 -2,-0.3 2,-0.3 -0.883 18.1-171.9-116.0 152.7 24.2 30.5 6.8 22 25 A T E -EF 7 62B 0 40,-2.3 40,-2.4 -2,-0.3 -15,-0.2 -0.920 31.4 -91.1-133.2 164.3 27.7 31.8 6.4 23 26 A T - 0 0 43 -17,-1.9 2,-0.4 -2,-0.3 38,-0.1 -0.245 41.2-135.0 -63.1 163.4 30.9 31.0 4.6 24 27 A R - 0 0 51 36,-0.4 2,-0.1 37,-0.1 -1,-0.0 -0.989 14.6-115.5-129.9 133.6 33.3 28.6 6.3 25 28 A D > - 0 0 93 -2,-0.4 3,-2.0 1,-0.1 -20,-0.0 -0.431 25.7-121.8 -68.2 143.1 37.1 29.1 6.6 26 29 A A T 3 S+ 0 0 101 1,-0.3 -1,-0.1 -2,-0.1 -2,-0.0 0.819 112.9 43.3 -52.7 -37.5 39.1 26.4 4.8 27 30 A G T 3 S+ 0 0 35 2,-0.0 2,-0.7 0, 0.0 -1,-0.3 0.297 84.3 117.3 -94.5 7.6 40.8 25.4 8.1 28 31 A F < + 0 0 15 -3,-2.0 2,-0.3 64,-0.0 64,-0.1 -0.689 38.9 171.6 -82.5 114.9 37.7 25.5 10.3 29 32 A R + 0 0 186 -2,-0.7 2,-0.3 62,-0.2 -2,-0.0 -0.916 2.2 167.2-122.6 148.0 37.0 22.0 11.7 30 33 A F - 0 0 12 -2,-0.3 2,-0.4 27,-0.1 27,-0.1 -0.986 35.2-114.9-154.3 161.2 34.5 20.9 14.3 31 34 A E > - 0 0 99 -2,-0.3 3,-2.1 25,-0.1 2,-0.1 -0.833 51.5 -96.6 -96.3 137.1 32.8 17.9 15.9 32 35 A N T 3 S+ 0 0 11 -2,-0.4 67,-0.4 1,-0.2 24,-0.1 -0.348 111.3 31.6 -59.9 128.5 29.1 17.7 15.3 33 36 A G T 3 S+ 0 0 0 20,-0.4 64,-0.4 1,-0.4 -1,-0.2 0.096 91.6 127.8 109.5 -17.6 27.1 19.2 18.2 34 37 A Q < - 0 0 20 -3,-2.1 19,-2.5 61,-0.1 -1,-0.4 -0.215 47.8-139.7 -70.9 159.7 29.8 21.7 19.1 35 38 A F E -BC 52 94A 31 59,-3.0 59,-2.3 17,-0.3 2,-0.3 -0.801 13.8-166.6-114.7 161.2 29.4 25.5 19.7 36 39 A V E -B 51 0A 2 15,-2.6 15,-2.6 -2,-0.3 2,-0.4 -0.958 30.3-100.2-142.6 154.7 31.6 28.4 18.7 37 40 A M E +B 50 0A 66 -2,-0.3 53,-3.4 13,-0.2 2,-0.3 -0.660 47.6 169.5 -75.4 131.6 31.9 32.1 19.5 38 41 A I E +BD 49 89A 0 11,-2.6 11,-2.8 -2,-0.4 2,-0.3 -0.866 6.7 129.8-130.6 171.9 30.3 34.2 16.8 39 42 A G E -BD 48 88A 0 49,-2.1 49,-2.6 -2,-0.3 2,-0.4 -0.993 41.6 -76.0 173.5-161.7 29.5 37.9 16.6 40 43 A L E -B 47 0A 19 7,-2.0 7,-2.4 -2,-0.3 2,-0.2 -0.962 29.2-121.1-131.5 144.4 29.5 41.3 15.0 41 44 A E - 0 0 138 -2,-0.4 2,-0.3 45,-0.3 4,-0.1 -0.563 40.0-177.4 -71.4 146.3 31.9 44.1 14.5 42 45 A T - 0 0 30 2,-0.4 -1,-0.0 -2,-0.2 0, 0.0 -0.842 46.4 -85.4-135.1 179.1 30.7 47.4 16.0 43 46 A E S S+ 0 0 144 -2,-0.3 2,-0.0 2,-0.1 -2,-0.0 0.632 120.3 6.1 -56.3 -19.4 31.7 51.1 16.3 44 47 A T S S+ 0 0 92 1,-0.4 -2,-0.4 0, 0.0 0, 0.0 0.128 127.1 1.7-127.4-112.6 33.7 49.9 19.4 45 48 A R S S- 0 0 190 -4,-0.1 -1,-0.4 1,-0.1 -2,-0.1 -0.545 79.8-100.8 -83.4 147.0 34.3 46.4 20.7 46 49 A P - 0 0 69 0, 0.0 2,-0.6 0, 0.0 -5,-0.2 -0.386 29.8-125.2 -65.2 145.0 33.0 43.3 18.8 47 50 A L E -B 40 0A 31 -7,-2.4 -7,-2.0 26,-0.1 2,-0.4 -0.858 35.4-173.8 -90.9 124.4 29.8 41.7 20.2 48 51 A L E +B 39 0A 48 -2,-0.6 2,-0.3 -9,-0.2 -9,-0.2 -0.975 11.0 165.9-129.0 133.3 30.6 38.0 20.8 49 52 A R E -B 38 0A 76 -11,-2.8 -11,-2.6 -2,-0.4 2,-0.2 -0.997 39.1-103.7-144.1 147.4 28.3 35.2 21.9 50 53 A A E +B 37 0A 59 -2,-0.3 2,-0.3 -13,-0.2 -13,-0.2 -0.513 42.2 178.3 -66.9 132.7 28.4 31.4 22.1 51 54 A Y E -B 36 0A 26 -15,-2.6 -15,-2.6 -2,-0.2 2,-0.1 -0.999 29.7-120.1-137.9 134.0 26.3 29.7 19.3 52 55 A S E -B 35 0A 20 -2,-0.3 2,-0.8 -17,-0.3 13,-0.4 -0.422 32.5-117.4 -61.4 144.9 25.7 26.0 18.4 53 56 A I - 0 0 0 -19,-2.5 2,-0.6 11,-0.1 -20,-0.4 -0.811 25.8-160.9 -86.1 111.6 26.9 25.2 14.9 54 57 A A + 0 0 0 9,-2.5 2,-0.3 -2,-0.8 10,-0.1 -0.147 63.3 66.8 -91.1 41.9 23.6 24.1 13.2 55 58 A S S S- 0 0 2 -2,-0.6 -22,-0.3 8,-0.1 2,-0.2 -0.953 86.5 -96.9-152.3 162.3 25.2 22.2 10.4 56 59 A A > - 0 0 0 -2,-0.3 3,-1.8 65,-0.2 5,-0.1 -0.623 30.4-119.8 -89.0 151.8 27.3 19.1 9.9 57 60 A N T 3 S+ 0 0 58 1,-0.3 -1,-0.1 -2,-0.2 -27,-0.1 0.616 111.1 60.1 -66.0 -16.1 31.1 19.2 9.6 58 61 A W T 3 S+ 0 0 126 67,-0.1 -1,-0.3 2,-0.0 2,-0.1 0.638 86.7 99.5 -82.7 -15.9 31.1 17.7 6.1 59 62 A E S < S- 0 0 41 -3,-1.8 -4,-0.0 1,-0.1 0, 0.0 -0.377 74.6-132.5 -76.8 152.2 29.0 20.6 4.8 60 63 A E S S+ 0 0 166 -2,-0.1 -36,-0.4 2,-0.0 2,-0.3 0.629 85.8 41.9 -80.0 -17.4 30.5 23.5 2.9 61 64 A H S S- 0 0 91 -38,-0.1 2,-0.3 -5,-0.1 -38,-0.2 -0.820 79.2-120.1-122.9 164.4 28.8 26.3 4.8 62 65 A L E -F 22 0B 1 -40,-2.4 -40,-2.3 -2,-0.3 2,-0.4 -0.787 23.8-159.9 -97.8 149.6 28.0 27.0 8.4 63 66 A E E -F 21 0B 37 -2,-0.3 -9,-2.5 -42,-0.2 2,-0.3 -0.982 4.7-168.2-127.2 145.9 24.4 27.4 9.6 64 67 A F E -F 20 0B 0 -44,-2.8 -44,-2.2 -2,-0.4 2,-0.5 -0.979 12.1-152.3-131.2 145.4 23.2 29.1 12.8 65 68 A F E -F 19 0B 5 -13,-0.4 2,-0.4 -2,-0.3 -46,-0.2 -0.981 29.4-167.6-121.5 117.8 19.8 29.1 14.4 66 69 A S E -F 18 0B 0 -48,-3.4 -48,-2.3 -2,-0.5 2,-0.1 -0.852 23.9-135.7-123.4 140.5 19.2 32.3 16.5 67 70 A I E -F 17 0B 60 -2,-0.4 2,-0.5 -50,-0.2 -50,-0.2 -0.374 21.2-138.5 -68.5 158.3 16.9 33.9 19.0 68 71 A K - 0 0 24 -52,-1.6 8,-0.1 -2,-0.1 3,-0.1 -0.935 19.1-174.6-122.3 107.5 15.8 37.5 18.6 69 72 A V > - 0 0 58 -2,-0.5 3,-1.9 1,-0.1 10,-0.1 -0.910 22.6-139.8-101.2 117.0 16.0 39.4 21.9 70 73 A P T 3 S+ 0 0 118 0, 0.0 -1,-0.1 0, 0.0 -54,-0.0 0.822 100.6 20.7 -48.5 -43.3 14.5 42.9 21.4 71 74 A D T 3 S+ 0 0 141 -3,-0.1 3,-0.0 5,-0.0 -3,-0.0 0.129 91.9 131.7-112.1 16.4 17.1 44.6 23.6 72 75 A G <> - 0 0 10 -3,-1.9 4,-2.4 1,-0.1 5,-0.3 -0.559 60.0-133.2 -69.7 128.8 19.7 41.9 23.4 73 76 A P T 4 S+ 0 0 73 0, 0.0 4,-0.4 0, 0.0 -1,-0.1 0.900 99.7 29.1 -54.4 -45.0 23.1 43.5 22.6 74 77 A L T >> S+ 0 0 3 2,-0.1 4,-2.7 1,-0.1 3,-1.1 0.964 124.1 43.2 -77.9 -52.8 24.0 40.9 19.9 75 78 A T H 3> S+ 0 0 11 1,-0.3 4,-1.9 2,-0.2 -1,-0.1 0.699 98.9 69.5 -78.3 -17.2 20.7 39.8 18.5 76 79 A S H 3< S+ 0 0 35 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.1 0.850 118.6 27.2 -60.7 -30.9 19.1 43.3 18.3 77 80 A R H X4 S+ 0 0 101 -3,-1.1 3,-1.8 -4,-0.4 -2,-0.2 0.813 115.4 60.6 -95.4 -41.8 21.6 43.8 15.6 78 81 A L H >< S+ 0 0 0 -4,-2.7 3,-1.9 1,-0.3 -3,-0.2 0.830 93.1 67.8 -59.1 -33.6 22.1 40.2 14.3 79 82 A Q T 3< S+ 0 0 50 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.1 0.667 97.1 55.8 -58.8 -19.5 18.4 39.9 13.4 80 83 A H T < S+ 0 0 127 -3,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.317 76.3 132.6 -99.9 8.1 19.0 42.5 10.6 81 84 A I < - 0 0 7 -3,-1.9 -3,-0.0 -4,-0.1 6,-0.0 -0.254 35.8-165.9 -63.3 147.9 21.8 40.7 8.8 82 85 A Q > - 0 0 127 -75,-0.0 3,-2.3 4,-0.0 -75,-0.3 -0.889 37.6 -73.8-129.3 156.9 21.5 40.5 5.0 83 86 A P T 3 S+ 0 0 84 0, 0.0 -75,-0.2 0, 0.0 3,-0.1 -0.312 122.0 30.1 -50.5 131.2 23.3 38.4 2.4 84 87 A G T 3 S+ 0 0 50 -77,-3.0 -76,-0.1 1,-0.4 -75,-0.0 0.045 90.5 124.7 102.3 -24.6 26.8 39.8 2.0 85 88 A D < - 0 0 68 -3,-2.3 -78,-2.9 -79,-0.1 2,-0.4 -0.203 62.5-112.6 -62.8 158.3 27.1 41.1 5.6 86 89 A K E -A 6 0A 121 -80,-0.2 2,-0.4 -3,-0.1 -45,-0.3 -0.822 28.6-175.7 -98.9 133.7 30.0 40.0 7.8 87 90 A V E -A 5 0A 0 -82,-2.5 -82,-2.7 -2,-0.4 -47,-0.2 -0.999 26.3-125.9-125.0 128.0 29.6 37.8 10.9 88 91 A L E -AD 4 39A 9 -49,-2.6 -49,-2.1 -2,-0.4 2,-0.4 -0.533 26.9-168.5 -72.8 137.7 32.6 37.1 13.1 89 92 A V E -AD 3 38A 7 -86,-2.5 -86,-0.9 -51,-0.2 -51,-0.2 -0.994 13.8-129.9-132.5 127.4 33.3 33.4 13.7 90 93 A G - 0 0 4 -53,-3.4 -88,-0.1 -2,-0.4 -51,-0.0 0.026 6.2-136.0 -66.1 176.0 35.7 31.9 16.2 91 94 A K S S+ 0 0 125 -90,-0.4 -62,-0.2 1,-0.2 -1,-0.1 0.450 83.8 67.3-111.7 -7.6 38.4 29.2 15.7 92 95 A K - 0 0 168 -55,-0.1 -1,-0.2 -64,-0.1 -57,-0.1 -0.617 62.1-170.6-127.0 72.5 37.9 27.0 18.8 93 96 A P + 0 0 23 0, 0.0 2,-0.2 0, 0.0 -57,-0.2 -0.259 18.5 154.9 -64.7 152.8 34.7 25.0 18.8 94 97 A T B +C 35 0A 64 -59,-2.3 -59,-3.0 -61,-0.1 2,-0.1 -0.820 1.5 121.1-156.2-173.1 33.8 23.1 22.0 95 98 A G - 0 0 3 -2,-0.2 -61,-0.1 -61,-0.2 155,-0.1 -0.442 56.9 -96.9 125.5 168.2 30.9 21.7 24.0 96 99 A T S S+ 0 0 40 -2,-0.1 2,-2.3 1,-0.1 5,-0.1 0.505 83.4 101.2 -99.9 -7.7 29.3 18.7 25.5 97 100 A L + 0 0 0 -64,-0.4 2,-0.5 -3,-0.1 -1,-0.1 -0.418 52.0 136.2 -86.3 70.3 26.8 17.6 22.9 98 101 A L > - 0 0 6 -2,-2.3 3,-1.7 1,-0.1 -65,-0.1 -0.959 53.9-150.7-122.6 124.9 28.9 14.8 21.5 99 102 A I G > S+ 0 0 13 -2,-0.5 3,-2.0 -67,-0.4 -1,-0.1 0.801 98.8 70.5 -61.5 -24.6 27.7 11.4 20.6 100 103 A S G 3 S+ 0 0 75 1,-0.3 -1,-0.3 -3,-0.1 -3,-0.0 0.744 93.5 56.1 -63.5 -20.8 31.3 10.2 21.4 101 104 A D G < S+ 0 0 7 -3,-1.7 144,-2.4 -5,-0.1 2,-0.5 0.181 90.6 93.6 -96.2 18.7 30.4 10.9 25.1 102 105 A L B < S-g 245 0C 4 -3,-2.0 144,-0.2 142,-0.3 3,-0.1 -0.941 78.6-124.0-108.3 128.5 27.4 8.6 24.9 103 106 A H - 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0 0 24 -3,-1.6 3,-1.2 -4,-0.3 4,-0.8 -0.770 63.6-150.8 -87.6 119.6 26.2 13.1 10.8 127 130 A P H >> S+ 0 0 60 0, 0.0 4,-1.2 0, 0.0 3,-0.6 0.840 95.4 63.5 -57.4 -31.5 26.5 9.6 9.2 128 131 A E H 3> S+ 0 0 79 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.782 90.3 66.6 -64.7 -27.9 28.1 8.3 12.4 129 132 A T H <> S+ 0 0 0 -3,-1.2 4,-1.1 -6,-0.3 -1,-0.2 0.920 105.9 41.9 -58.2 -43.2 24.9 9.0 14.3 130 133 A Y H << S+ 0 0 3 -4,-0.8 -1,-0.2 -3,-0.6 -2,-0.2 0.746 107.4 59.8 -80.9 -23.8 23.1 6.3 12.3 131 134 A E H < S+ 0 0 146 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.820 114.1 38.9 -66.1 -29.3 26.0 3.9 12.4 132 135 A R H < S+ 0 0 61 -4,-1.4 -27,-0.5 -3,-0.2 2,-0.4 0.656 114.9 50.7 -98.2 -19.8 25.7 3.9 16.2 133 136 A F < - 0 0 2 -4,-1.1 -26,-0.2 -5,-0.1 -27,-0.1 -0.956 53.4-153.9-133.0 143.5 21.9 4.0 16.7 134 137 A D S S+ 0 0 90 -28,-2.1 2,-0.3 -2,-0.4 -27,-0.2 0.804 90.7 19.5 -76.1 -36.1 18.8 2.2 15.5 135 138 A K E -h 107 0D 66 -29,-1.4 -27,-2.7 2,-0.0 2,-0.5 -0.994 61.5-161.1-138.7 142.6 16.4 5.2 16.0 136 139 A V E -hk 108 172D 0 35,-2.8 37,-3.3 -2,-0.3 2,-0.7 -0.991 11.3-156.8-124.7 117.8 17.1 8.9 16.3 137 140 A I E -hk 109 173D 0 -29,-3.2 -27,-3.2 -2,-0.5 2,-0.7 -0.873 7.0-161.8-102.2 110.7 14.3 10.8 17.9 138 141 A L E +hk 110 174D 0 35,-3.0 37,-3.2 -2,-0.7 2,-0.3 -0.850 15.9 179.4 -94.7 115.2 14.4 14.5 16.9 139 142 A T E - k 0 175D 0 -29,-1.9 2,-0.3 -2,-0.7 -27,-0.1 -0.857 20.7-176.7-112.8 153.7 12.4 16.8 19.1 140 143 A Q E - k 0 176D 0 35,-0.9 37,-2.7 -2,-0.3 2,-0.5 -0.899 11.1-162.0-138.4 120.7 11.7 20.5 19.3 141 144 A G E +jk 113 177D 8 -29,-2.7 -27,-2.1 -2,-0.3 2,-0.3 -0.881 24.1 159.6 -96.6 128.3 9.6 21.8 22.2 142 145 A V E - k 0 178D 7 35,-2.5 37,-1.7 -2,-0.5 38,-0.2 -0.832 47.3-113.2-137.7 174.3 8.2 25.2 21.6 143 146 A R S S+ 0 0 123 -2,-0.3 37,-2.5 35,-0.2 38,-0.3 0.926 93.7 20.4 -79.3 -47.9 5.3 27.4 22.9 144 147 A F S > S- 0 0 86 35,-0.1 3,-1.9 36,-0.1 4,-0.4 -0.872 76.2-115.0-124.4 157.3 3.0 27.6 19.9 145 148 A V G > S+ 0 0 41 -2,-0.3 3,-1.6 1,-0.3 -1,-0.1 0.895 116.3 59.4 -55.0 -40.1 2.6 25.5 16.7 146 149 A Q G 3 S+ 0 0 179 1,-0.3 -1,-0.3 -3,-0.0 -3,-0.0 0.618 95.5 65.0 -66.3 -11.9 3.8 28.5 14.7 147 150 A D G < S+ 0 0 24 -3,-1.9 -1,-0.3 2,-0.1 -2,-0.2 0.599 70.2 114.8 -85.4 -17.3 7.1 28.5 16.5 148 151 A L < - 0 0 13 -3,-1.6 3,-0.4 -4,-0.4 2,-0.3 -0.406 57.4-150.6 -58.9 123.0 8.2 25.1 15.2 149 152 A A + 0 0 0 1,-0.2 -2,-0.1 -2,-0.2 -1,-0.1 -0.726 68.0 9.3 -99.0 148.9 11.3 25.7 13.1 150 153 A Y S > S+ 0 0 14 -2,-0.3 4,-2.6 3,-0.1 5,-0.2 0.724 78.3 146.8 62.8 25.0 12.4 23.7 10.1 151 154 A R H > + 0 0 81 -3,-0.4 4,-2.8 1,-0.2 5,-0.3 0.926 69.9 44.1 -63.7 -48.5 9.1 21.7 10.1 152 155 A D H >>S+ 0 0 79 2,-0.2 4,-2.7 1,-0.2 5,-1.8 0.887 112.8 54.9 -60.2 -40.7 8.8 21.2 6.3 153 156 A Y H 4>S+ 0 0 42 3,-0.2 5,-3.3 1,-0.2 -2,-0.2 0.959 114.3 38.8 -54.7 -53.7 12.5 20.3 6.2 154 157 A F H <5S+ 0 0 8 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.888 123.8 38.8 -67.1 -41.9 12.0 17.6 8.9 155 158 A E H <5S+ 0 0 73 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.805 136.0 5.9 -81.6 -32.5 8.7 16.2 7.7 156 159 A R T <5S+ 0 0 139 -4,-2.7 -3,-0.2 -5,-0.3 -2,-0.1 0.770 125.5 42.6-119.9 -49.6 9.1 16.4 3.9 157 160 A E T > - 0 0 44 -3,-1.8 4,-3.1 1,-0.2 5,-0.3 -0.306 55.5-132.9 -52.1 104.8 17.9 13.9 1.1 162 165 A E T 4 S+ 0 0 169 -2,-0.4 -1,-0.2 1,-0.2 4,-0.1 0.695 101.3 21.0 -33.2 -28.0 19.5 12.6 -2.1 163 166 A F T 4 S+ 0 0 181 2,-0.1 -1,-0.2 3,-0.0 4,-0.2 0.724 134.1 32.3-117.0 -34.6 22.2 11.0 0.2 164 167 A L T > S+ 0 0 18 -6,-0.1 4,-1.9 1,-0.1 3,-0.4 0.624 93.7 94.7 -98.9 -15.4 20.8 10.6 3.7 165 168 A G H X S+ 0 0 2 -4,-3.1 4,-2.3 1,-0.2 5,-0.2 0.764 78.4 50.3 -49.5 -49.7 17.2 10.0 2.8 166 169 A D H > S+ 0 0 126 -5,-0.3 4,-0.9 1,-0.2 -1,-0.2 0.915 116.1 44.2 -59.4 -45.5 16.9 6.2 2.7 167 170 A L H > S+ 0 0 57 -3,-0.4 4,-2.0 -4,-0.2 5,-0.3 0.848 111.4 54.2 -64.1 -39.4 18.5 5.9 6.1 168 171 A L H X S+ 0 0 4 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.870 102.5 54.6 -70.7 -39.0 16.4 8.8 7.5 169 172 A R H < S+ 0 0 141 -4,-2.3 -1,-0.2 -10,-0.2 -2,-0.2 0.850 115.8 42.6 -59.7 -32.3 13.0 7.3 6.6 170 173 A E H < S+ 0 0 117 -4,-0.9 -2,-0.2 -5,-0.2 -1,-0.2 0.846 132.0 15.5 -80.3 -37.7 14.2 4.2 8.5 171 174 A K H < S+ 0 0 28 -4,-2.0 -35,-2.8 -36,-0.1 2,-0.6 0.723 98.1 89.8-117.1 -29.7 15.7 5.8 11.6 172 175 A L E < -k 136 0D 25 -4,-2.0 2,-0.5 -5,-0.3 -35,-0.2 -0.676 47.7-175.5 -87.2 118.7 14.8 9.4 12.0 173 176 A L E -k 137 0D 47 -37,-3.3 -35,-3.0 -2,-0.6 2,-0.5 -0.950 13.0-149.8-115.0 121.4 11.6 10.1 14.0 174 177 A Y E +k 138 0D 43 -2,-0.5 -35,-0.2 -37,-0.2 -37,-0.1 -0.781 16.2 178.2 -94.5 126.2 10.4 13.7 14.4 175 178 A Y E -k 139 0D 2 -37,-3.2 -35,-0.9 -2,-0.5 2,-0.2 -0.794 5.9-171.5-130.6 86.3 8.5 14.6 17.6 176 179 A P E -k 140 0D 9 0, 0.0 2,-0.4 0, 0.0 -35,-0.2 -0.530 6.5-163.2 -74.1 145.3 7.4 18.2 17.8 177 180 A A E -k 141 0D 0 -37,-2.7 -35,-2.5 -2,-0.2 2,-0.4 -0.997 6.6-170.0-133.8 141.8 6.0 19.3 21.2 178 181 A V E -kl 142 186D 0 7,-2.1 9,-2.0 -2,-0.4 -35,-0.2 -0.985 7.6-174.3-132.9 135.1 3.9 22.5 21.9 179 182 A T S S+ 0 0 48 -37,-1.7 -36,-0.2 -2,-0.4 -35,-0.1 0.883 74.0 51.7 -95.8 -42.8 3.0 23.8 25.4 180 183 A R S S+ 0 0 160 -37,-2.5 2,-0.3 -38,-0.2 -36,-0.1 0.414 110.9 25.7 -92.9 0.0 0.6 26.8 25.0 181 184 A E S S- 0 0 70 -38,-0.3 6,-0.1 6,-0.0 -3,-0.1 -0.968 95.2 -72.4-151.4 165.3 -2.1 25.4 22.7 182 185 A T + 0 0 117 -2,-0.3 2,-0.3 4,-0.1 -37,-0.1 -0.313 61.4 148.7 -62.2 145.0 -3.7 22.1 21.7 183 186 A F - 0 0 44 -5,-0.1 3,-0.5 1,-0.1 -5,-0.0 -0.963 63.0 -91.5-170.3 159.0 -1.5 19.9 19.6 184 187 A A S S+ 0 0 91 -2,-0.3 2,-0.6 1,-0.3 -1,-0.1 0.892 126.2 29.6 -48.7 -45.0 -0.8 16.2 18.9 185 188 A N S S- 0 0 15 -9,-0.1 -7,-2.1 -3,-0.1 2,-0.7 -0.855 84.6-177.7-120.1 91.8 1.9 16.3 21.5 186 189 A Q B +l 178 0D 78 -2,-0.6 2,-0.2 -3,-0.5 -7,-0.2 -0.827 38.4 38.0-103.3 117.8 1.0 18.9 24.1 187 190 A G S S- 0 0 15 -9,-2.0 2,-0.2 -2,-0.7 -7,-0.1 -0.809 89.7 -48.7 146.7 177.7 3.2 19.7 27.0 188 191 A R > - 0 0 103 -2,-0.2 4,-2.2 -9,-0.1 5,-0.2 -0.479 56.1-113.0 -69.2 153.2 6.8 20.2 28.1 189 192 A L H > S+ 0 0 5 1,-0.2 4,-1.6 2,-0.2 5,-0.2 0.889 118.8 58.0 -57.6 -37.6 9.1 17.4 27.0 190 193 A T H > S+ 0 0 17 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.912 108.7 44.9 -56.9 -44.7 9.5 16.4 30.7 191 194 A E H > S+ 0 0 84 -3,-0.2 4,-1.2 1,-0.2 6,-0.3 0.880 110.4 52.7 -70.8 -38.2 5.7 15.9 31.0 192 195 A L H <>S+ 0 0 2 -4,-2.2 6,-2.5 1,-0.2 5,-0.6 0.757 118.1 38.8 -67.3 -25.7 5.4 14.0 27.7 193 196 A M H ><5S+ 0 0 7 -4,-1.6 3,-1.4 -5,-0.2 -2,-0.2 0.802 103.5 68.9 -91.1 -32.1 8.1 11.6 28.9 194 197 A A H 3<5S+ 0 0 37 -4,-2.5 -2,-0.2 1,-0.3 -3,-0.1 0.834 114.3 28.4 -56.8 -37.3 7.0 11.5 32.6 195 198 A D T 3<5S- 0 0 97 -4,-1.2 -1,-0.3 -5,-0.1 -2,-0.1 0.146 114.6-111.7-111.3 15.9 3.9 9.5 31.7 196 199 A G T <>5S+ 0 0 27 -3,-1.4 4,-2.2 1,-0.1 -3,-0.2 0.587 73.9 134.4 69.7 14.9 5.3 7.9 28.6 197 200 A R H > S+ 0 0 0 -6,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.935 110.7 45.5 -58.4 -48.2 6.3 10.3 23.8 199 202 A Q H >>S+ 0 0 9 -7,-0.3 5,-2.3 2,-0.2 4,-1.0 0.872 112.6 51.0 -66.1 -38.5 7.2 6.6 23.8 200 203 A Q H ><5S+ 0 0 160 -4,-2.2 3,-0.5 2,-0.2 -2,-0.2 0.936 111.0 47.9 -64.1 -46.9 3.7 5.5 23.0 201 204 A T H 3<5S+ 0 0 86 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.901 116.9 43.1 -56.9 -43.6 3.4 8.0 20.1 202 205 A L H 3<5S- 0 0 29 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.564 108.8-121.5 -84.0 -10.4 6.7 6.9 18.7 203 206 A G T <<5 + 0 0 66 -4,-1.0 -3,-0.2 -3,-0.5 -4,-0.1 0.812 66.0 137.9 70.3 32.5 6.1 3.1 19.2 204 207 A L < - 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