==== 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 06-JUL-94 1PBB . COMPND 2 MOLECULE: P-HYDROXYBENZOATE HYDROXYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS FLUORESCENS; . AUTHOR H.A.SCHREUDER,A.MATTEVI,W.G.J.HOL . 391 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17319.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 294 75.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 23 5.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 71 18.2 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 . 4 1.0 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 . 1 0.3 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 . 28 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 119 30.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.3 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 1 0 0 1 0 1 2 0 0 1 1 0 0 0 0 0 1 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 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 0 PARALLEL BRIDGES PER LADDER . 0 2 3 1 0 3 0 1 0 0 0 0 1 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 1 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 1 A M 0 0 110 0, 0.0 150,-2.4 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 163.2 22.7 105.7 84.4 2 2 A K B +a 151 0A 129 148,-0.3 2,-0.2 136,-0.0 150,-0.2 -0.991 360.0 160.5-141.0 150.4 20.6 102.6 84.5 3 3 A T - 0 0 5 148,-3.0 3,-0.1 -2,-0.3 25,-0.1 -0.788 42.7-112.4-150.2-170.9 17.9 101.0 82.2 4 4 A Q S S+ 0 0 40 23,-0.8 149,-2.3 1,-0.4 150,-2.0 0.838 99.3 20.4 -99.1 -49.9 16.3 97.7 81.6 5 5 A V E -de 28 154B 1 22,-1.6 24,-1.6 148,-0.2 2,-0.5 -0.984 69.4-152.1-125.4 123.1 17.6 96.7 78.1 6 6 A A E -de 29 155B 0 148,-2.9 150,-3.2 -2,-0.5 2,-0.5 -0.843 11.7-159.7 -94.2 130.9 20.7 98.2 76.7 7 7 A I E -de 30 156B 0 22,-3.1 24,-2.9 -2,-0.5 2,-0.7 -0.956 2.8-156.6-115.5 117.6 20.8 98.3 72.9 8 8 A I E +de 31 157B 8 148,-2.2 150,-1.5 -2,-0.5 24,-0.2 -0.860 64.6 28.5 -96.1 116.2 24.1 98.6 71.1 9 9 A G - 0 0 7 22,-3.7 23,-0.2 -2,-0.7 151,-0.1 0.349 61.5-136.7 107.4 126.6 23.7 100.0 67.6 10 10 A A + 0 0 0 4,-0.1 -1,-0.1 20,-0.1 22,-0.1 -0.055 63.1 118.3-104.0 32.4 21.1 102.4 66.1 11 11 A G S > S- 0 0 12 147,-0.5 4,-2.5 1,-0.0 5,-0.3 -0.091 89.6 -75.8 -81.4-171.1 20.6 100.6 62.8 12 12 A P H > S+ 0 0 19 0, 0.0 4,-2.4 0, 0.0 5,-0.3 0.890 132.9 53.6 -56.8 -38.6 17.2 99.2 61.8 13 13 A S H > S+ 0 0 15 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.983 113.7 41.0 -58.3 -58.2 17.5 96.2 64.2 14 14 A G H > S+ 0 0 0 144,-0.5 4,-2.5 1,-0.2 -1,-0.2 0.876 117.2 46.0 -58.1 -46.0 18.3 98.5 67.2 15 15 A L H X S+ 0 0 1 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.903 113.6 49.6 -66.3 -41.3 15.7 101.2 66.5 16 16 A L H X S+ 0 0 3 -4,-2.4 4,-2.1 -5,-0.3 -2,-0.2 0.913 113.7 44.7 -66.0 -41.8 13.0 98.6 65.8 17 17 A L H X S+ 0 0 0 -4,-2.4 4,-2.8 -5,-0.3 5,-0.3 0.954 113.5 51.8 -65.3 -48.1 13.6 96.7 69.0 18 18 A G H X S+ 0 0 0 -4,-2.5 4,-2.3 -5,-0.2 -2,-0.2 0.850 110.9 47.4 -56.8 -37.1 13.8 99.9 70.9 19 19 A Q H X S+ 0 0 13 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.876 112.3 48.7 -73.9 -39.0 10.5 101.1 69.5 20 20 A L H X S+ 0 0 1 -4,-2.1 4,-0.8 2,-0.2 -2,-0.2 0.948 115.5 43.6 -64.4 -50.5 8.7 97.8 70.2 21 21 A L H ><>S+ 0 0 0 -4,-2.8 5,-1.7 1,-0.2 3,-1.4 0.955 112.7 51.1 -60.8 -52.4 10.0 97.7 73.8 22 22 A H H ><5S+ 0 0 53 -4,-2.3 3,-1.6 1,-0.3 -1,-0.2 0.899 107.7 54.1 -52.6 -45.0 9.4 101.3 74.6 23 23 A K H 3<5S+ 0 0 141 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.720 109.1 49.6 -61.8 -23.6 5.8 101.0 73.3 24 24 A A T <<5S- 0 0 40 -3,-1.4 -1,-0.3 -4,-0.8 -2,-0.2 0.379 123.6-101.9 -96.0 -0.1 5.3 98.0 75.7 25 25 A G T < 5S+ 0 0 51 -3,-1.6 2,-0.7 -4,-0.5 -3,-0.2 0.280 81.3 128.7 98.7 -11.5 6.7 99.9 78.7 26 26 A I < - 0 0 7 -5,-1.7 -1,-0.3 -6,-0.2 -2,-0.2 -0.693 54.8-136.0 -82.8 116.0 10.1 98.3 78.8 27 27 A D + 0 0 85 -2,-0.7 -22,-1.6 -3,-0.1 -23,-0.8 -0.486 28.8 174.2 -75.6 144.3 12.7 101.0 79.0 28 28 A N E -d 5 0B 5 -24,-0.2 91,-0.4 -2,-0.2 2,-0.4 -0.932 22.0-147.6-145.1 156.4 15.8 100.8 76.8 29 29 A V E -d 6 0B 6 -24,-1.6 -22,-3.1 -2,-0.3 2,-0.5 -0.999 13.9-147.6-128.8 131.7 18.8 102.9 75.9 30 30 A I E -df 7 120B 0 89,-1.7 91,-3.6 -2,-0.4 2,-0.5 -0.884 7.6-163.1-103.5 130.5 20.4 102.9 72.5 31 31 A L E -df 8 121B 1 -24,-2.9 -22,-3.7 -2,-0.5 2,-0.4 -0.959 9.9-175.3-111.1 126.1 24.2 103.4 72.1 32 32 A E - 0 0 11 89,-2.9 92,-2.4 -2,-0.5 91,-0.4 -0.986 23.3-152.1-127.0 130.2 25.5 104.3 68.6 33 33 A R S S+ 0 0 151 -2,-0.4 -1,-0.1 90,-0.3 2,-0.1 0.837 80.1 44.8 -64.5 -36.9 29.1 104.7 67.6 34 34 A Q S S- 0 0 42 89,-0.1 89,-2.1 1,-0.1 90,-0.2 -0.137 91.3 -88.8 -98.2-169.3 28.4 107.2 64.7 35 35 A T > - 0 0 39 87,-0.2 4,-2.0 88,-0.1 3,-0.4 -0.729 37.1-110.5-101.2 157.7 26.2 110.3 64.1 36 36 A P H > S+ 0 0 44 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.836 117.9 55.2 -55.2 -37.4 22.6 110.1 62.8 37 37 A D H 4 S+ 0 0 132 2,-0.2 4,-0.4 1,-0.2 -3,-0.0 0.906 106.0 50.8 -63.3 -45.2 23.6 111.6 59.5 38 38 A Y H >4 S+ 0 0 133 -3,-0.4 3,-1.1 1,-0.2 -1,-0.2 0.917 111.1 48.1 -60.7 -42.4 26.2 108.9 59.0 39 39 A V H >< S+ 0 0 6 -4,-2.0 3,-1.3 1,-0.3 -1,-0.2 0.912 111.1 52.0 -64.5 -40.3 23.6 106.2 59.7 40 40 A L T 3< S+ 0 0 57 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.486 94.7 71.3 -77.2 -1.5 21.2 108.0 57.3 41 41 A G T < S+ 0 0 54 -3,-1.1 2,-0.4 -4,-0.4 -1,-0.3 0.494 74.8 101.7 -91.0 -2.3 23.7 108.0 54.5 42 42 A R < - 0 0 51 -3,-1.3 -3,-0.0 -4,-0.2 61,-0.0 -0.717 44.9-179.7 -86.6 127.3 23.4 104.2 54.0 43 43 A I + 0 0 27 -2,-0.4 60,-0.6 59,-0.1 59,-0.5 0.926 34.0 128.9 -85.5 -64.5 21.3 103.2 51.0 44 44 A R + 0 0 121 58,-0.1 -1,-0.0 57,-0.1 59,-0.0 -0.065 54.8 25.1 48.2-133.5 21.5 99.4 51.2 45 45 A A + 0 0 31 1,-0.1 57,-2.4 56,-0.1 58,-0.4 0.054 41.6 170.9 -61.0 166.4 18.3 97.4 51.1 46 46 A G + 0 0 5 55,-0.3 54,-1.7 1,-0.1 2,-0.5 0.372 50.7 88.5-157.4 0.5 14.9 98.1 49.7 47 47 A V E -I 99 0C 15 52,-0.2 2,-0.4 249,-0.1 52,-0.2 -0.944 51.2-168.2-115.3 124.2 12.7 95.0 49.8 48 48 A L E -I 98 0C 0 50,-3.2 50,-2.5 -2,-0.5 2,-0.1 -0.917 17.1-132.4-115.4 134.8 10.5 94.1 52.8 49 49 A E E >> -I 97 0C 7 -2,-0.4 4,-1.7 48,-0.2 3,-0.9 -0.423 31.0-111.3 -73.2 158.3 8.7 90.9 53.6 50 50 A Q H 3> S+ 0 0 65 336,-0.7 4,-2.2 46,-0.5 5,-0.2 0.856 116.3 61.9 -61.1 -35.3 5.0 91.2 54.7 51 51 A G H 3> S+ 0 0 25 335,-0.4 4,-1.3 1,-0.2 -1,-0.3 0.836 106.3 44.0 -60.0 -36.5 6.0 90.0 58.1 52 52 A M H <> S+ 0 0 2 -3,-0.9 4,-2.1 2,-0.2 -1,-0.2 0.808 107.6 59.9 -76.9 -31.3 8.2 93.0 58.6 53 53 A V H X S+ 0 0 23 -4,-1.7 4,-1.3 1,-0.2 -2,-0.2 0.928 109.2 43.6 -60.8 -40.7 5.6 95.3 57.1 54 54 A D H X S+ 0 0 53 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.813 109.3 56.5 -74.1 -31.2 3.2 94.2 59.9 55 55 A L H X S+ 0 0 3 -4,-1.3 4,-2.0 2,-0.2 -1,-0.2 0.876 106.8 50.4 -67.7 -35.5 6.0 94.5 62.6 56 56 A L H <>S+ 0 0 4 -4,-2.1 5,-2.5 2,-0.2 -1,-0.2 0.854 110.1 49.4 -68.2 -38.1 6.4 98.2 61.5 57 57 A R H ><5S+ 0 0 146 -4,-1.3 3,-1.4 3,-0.2 -2,-0.2 0.921 111.6 49.7 -66.5 -39.7 2.7 98.7 61.8 58 58 A E H 3<5S+ 0 0 87 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.849 105.6 54.7 -67.9 -34.1 2.9 97.1 65.2 59 59 A A T 3<5S- 0 0 2 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.463 116.2-122.9 -76.3 0.1 5.8 99.4 66.1 60 60 A G T < 5S+ 0 0 48 -3,-1.4 2,-0.2 -5,-0.1 3,-0.2 0.677 81.3 113.8 65.7 25.0 3.3 102.1 65.1 61 61 A V < + 0 0 16 -5,-2.5 -4,-0.1 1,-0.1 -1,-0.1 -0.499 38.0 98.6-125.4 65.3 5.6 103.5 62.5 62 62 A D > + 0 0 44 -2,-0.2 4,-3.3 -5,-0.2 5,-0.3 0.457 42.1 99.5-130.3 -0.8 3.9 102.9 59.2 63 63 A R H > S+ 0 0 165 1,-0.2 4,-0.9 -3,-0.2 5,-0.1 0.962 93.9 39.4 -52.0 -59.8 2.0 106.0 58.1 64 64 A R H > S+ 0 0 65 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.847 117.6 49.8 -60.5 -37.5 4.8 107.1 55.6 65 65 A M H > S+ 0 0 12 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.930 106.0 54.6 -69.5 -44.0 5.4 103.5 54.5 66 66 A A H < S+ 0 0 79 -4,-3.3 -1,-0.2 1,-0.2 -2,-0.2 0.734 117.7 40.3 -61.1 -20.2 1.7 102.8 53.8 67 67 A R H < S+ 0 0 129 -4,-0.9 -2,-0.2 -5,-0.3 -1,-0.2 0.906 128.7 22.7 -92.8 -52.3 1.8 105.9 51.7 68 68 A D H < S+ 0 0 72 -4,-3.1 -3,-0.2 -5,-0.1 -2,-0.2 0.618 96.1 98.0 -93.8 -21.2 5.2 105.7 49.8 69 69 A G < - 0 0 16 -4,-2.8 2,-0.4 -5,-0.3 31,-0.2 -0.323 68.4-131.3 -65.5 160.0 6.1 102.0 49.9 70 70 A L E -J 99 0C 52 29,-2.2 29,-3.0 144,-0.0 2,-0.6 -0.957 6.5-142.9-118.4 130.3 5.2 100.0 46.8 71 71 A V E -J 98 0C 92 -2,-0.4 2,-0.4 27,-0.2 27,-0.2 -0.838 19.3-166.4 -93.7 118.1 3.4 96.7 46.9 72 72 A H E -J 97 0C 13 25,-2.7 25,-1.8 -2,-0.6 3,-0.1 -0.889 16.4-175.6-105.6 137.5 4.7 94.2 44.3 73 73 A E S S+ 0 0 91 -2,-0.4 16,-1.7 23,-0.2 15,-1.1 0.359 70.2 25.5-109.9 -0.0 2.9 91.0 43.4 74 74 A G E -K 87 0D 2 13,-0.3 125,-0.4 14,-0.2 2,-0.3 -0.977 57.3-159.0-158.6 161.4 5.5 89.6 41.0 75 75 A V E -K 86 0D 5 11,-1.5 11,-3.2 -2,-0.3 2,-0.4 -0.914 20.1-129.1-140.3 159.8 9.2 89.6 40.1 76 76 A E E -Kl 85 200D 28 123,-2.3 125,-3.2 -2,-0.3 2,-0.5 -0.965 9.4-161.6-124.2 137.6 11.0 88.7 36.9 77 77 A I E -Kl 84 201D 9 7,-3.1 7,-3.2 -2,-0.4 2,-0.5 -0.946 12.5-161.7-112.9 125.4 14.0 86.4 36.1 78 78 A A E +Kl 83 202D 4 123,-3.0 125,-3.1 -2,-0.5 2,-0.3 -0.932 22.3 153.3-109.9 124.5 15.7 87.0 32.7 79 79 A F E > -K 82 0D 6 3,-2.1 3,-1.0 -2,-0.5 125,-0.1 -0.996 56.9 -9.1-151.6 146.5 17.8 84.2 31.3 80 80 A A T 3 S- 0 0 64 123,-0.4 2,-0.6 -2,-0.3 3,-0.1 0.743 128.0 -44.0 36.0 51.9 19.1 83.0 27.8 81 81 A G T 3 S+ 0 0 69 1,-0.3 -1,-0.3 0, 0.0 2,-0.0 -0.385 120.7 94.4 97.9 -54.7 16.8 85.2 25.8 82 82 A Q E < -K 79 0D 75 -3,-1.0 -3,-2.1 -2,-0.6 2,-0.4 -0.190 57.7-150.2 -77.0 161.7 13.6 84.7 27.8 83 83 A R E -K 78 0D 85 -5,-0.2 2,-0.4 -3,-0.1 -5,-0.2 -0.990 16.0-166.2-130.6 116.9 12.1 86.8 30.6 84 84 A R E -K 77 0D 83 -7,-3.2 -7,-3.1 -2,-0.4 2,-0.5 -0.911 7.0-149.7-111.3 134.2 9.9 84.8 33.1 85 85 A R E -K 76 0D 104 -2,-0.4 2,-0.6 -9,-0.2 -9,-0.2 -0.878 3.8-150.5-104.2 132.1 7.6 86.4 35.6 86 86 A I E -K 75 0D 0 -11,-3.2 -11,-1.5 -2,-0.5 2,-1.2 -0.895 11.6-143.3-101.4 119.0 6.9 84.8 39.0 87 87 A D E > -K 74 0D 43 -2,-0.6 4,-1.8 -13,-0.2 -13,-0.3 -0.753 21.2-178.2 -83.2 98.7 3.4 85.7 40.2 88 88 A L H > S+ 0 0 0 -2,-1.2 4,-2.2 -15,-1.1 7,-0.4 0.916 73.1 55.9 -65.9 -44.8 4.2 85.9 44.0 89 89 A K H >>S+ 0 0 90 -16,-1.7 5,-3.2 1,-0.2 4,-0.9 0.948 116.3 31.7 -56.8 -56.4 0.6 86.7 45.1 90 90 A R H 45S+ 0 0 143 -17,-0.2 -1,-0.2 3,-0.2 -2,-0.2 0.847 120.4 51.8 -74.5 -30.6 -1.1 83.6 43.6 91 91 A L H <5S+ 0 0 26 -4,-1.8 -1,-0.2 1,-0.2 292,-0.2 0.787 115.1 41.3 -75.8 -25.1 1.8 81.3 44.0 92 92 A S H <5S- 0 0 22 -4,-2.2 -1,-0.2 3,-0.3 -2,-0.2 0.575 121.0-102.2 -97.4 -6.1 2.3 82.1 47.6 93 93 A G T <5S- 0 0 63 -4,-0.9 -3,-0.2 -5,-0.2 -4,-0.1 0.928 86.0 -32.7 85.4 52.6 -1.4 82.2 48.5 94 94 A G S - 0 0 0 113,-0.3 4,-1.9 -2,-0.3 3,-0.3 -0.017 14.2-132.1 -46.7 145.6 14.1 101.9 51.2 102 102 A Q H > S+ 0 0 18 -57,-2.4 4,-2.6 -59,-0.5 5,-0.2 0.878 111.7 58.3 -64.6 -36.7 16.1 100.8 54.2 103 103 A T H > S+ 0 0 23 -60,-0.6 4,-2.4 -58,-0.4 -1,-0.2 0.838 105.7 49.6 -59.6 -36.5 17.1 104.5 54.6 104 104 A E H > S+ 0 0 42 -3,-0.3 4,-2.9 2,-0.2 -1,-0.2 0.902 109.1 50.1 -69.9 -45.6 13.4 105.3 54.8 105 105 A V H X S+ 0 0 2 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.929 113.8 46.6 -57.9 -47.1 12.6 102.7 57.5 106 106 A T H X S+ 0 0 5 -4,-2.6 4,-2.8 2,-0.2 5,-0.2 0.943 112.3 49.7 -61.4 -48.4 15.6 104.0 59.5 107 107 A R H X S+ 0 0 62 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.902 112.2 48.6 -56.7 -46.4 14.5 107.7 59.0 108 108 A D H X S+ 0 0 11 -4,-2.9 4,-2.3 2,-0.2 -1,-0.2 0.928 112.7 46.6 -61.6 -46.9 11.0 106.8 60.1 109 109 A L H X S+ 0 0 1 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.884 110.5 52.9 -64.2 -39.6 12.1 104.9 63.2 110 110 A M H X S+ 0 0 28 -4,-2.8 4,-2.2 2,-0.2 -1,-0.2 0.862 109.6 49.9 -63.7 -35.7 14.5 107.7 64.2 111 111 A E H X S+ 0 0 116 -4,-1.8 4,-2.0 -5,-0.2 -2,-0.2 0.948 110.6 48.3 -68.2 -47.8 11.6 110.2 64.0 112 112 A A H X S+ 0 0 28 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.906 113.4 48.7 -59.1 -43.2 9.4 108.0 66.1 113 113 A R H X>S+ 0 0 3 -4,-2.6 4,-1.0 2,-0.2 5,-0.8 0.932 108.0 51.6 -64.3 -49.6 12.2 107.6 68.7 114 114 A E H ><5S+ 0 0 163 -4,-2.2 3,-0.9 1,-0.2 -1,-0.2 0.924 112.2 48.4 -54.0 -46.3 13.1 111.3 69.0 115 115 A A H 3<5S+ 0 0 87 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.838 105.2 57.8 -65.2 -34.8 9.5 112.1 69.6 116 116 A S H 3<5S- 0 0 43 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.704 102.4-132.4 -71.1 -15.9 9.0 109.4 72.2 117 117 A G T <<5 + 0 0 62 -4,-1.0 -3,-0.1 -3,-0.9 -2,-0.1 0.501 51.3 153.9 78.3 2.6 11.8 111.0 74.3 118 118 A A < - 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0 0 18 -2,-0.4 -21,-0.2 -21,-0.2 -22,-0.1 -0.911 35.5 -98.8-124.3 150.6 23.4 86.6 53.7 292 292 A P > - 0 0 0 0, 0.0 3,-0.8 0, 0.0 5,-0.4 -0.500 39.3-118.1 -65.0 148.9 24.3 87.5 50.1 293 293 A P G > S+ 0 0 50 0, 0.0 3,-1.9 0, 0.0 -25,-0.0 0.637 92.0 97.3 -64.2 -11.5 21.9 90.3 48.9 294 294 A T G 3 S+ 0 0 0 1,-0.3 50,-0.1 49,-0.1 49,-0.0 0.799 90.2 36.2 -48.6 -45.0 20.4 88.1 46.1 295 295 A G G < S- 0 0 1 -3,-0.8 -1,-0.3 44,-0.1 48,-0.1 0.487 105.0-125.1 -91.0 -1.1 17.4 86.9 48.1 296 296 A A <> + 0 0 25 -3,-1.9 4,-0.5 -4,-0.2 -247,-0.1 0.694 68.4 132.2 64.9 27.5 16.9 90.3 49.9 297 297 A K H > + 0 0 6 -5,-0.4 4,-2.8 1,-0.1 5,-0.3 0.686 38.5 84.5 -85.6 -17.5 17.0 88.6 53.3 298 298 A G H > S+ 0 0 22 2,-0.2 4,-1.9 1,-0.2 3,-0.2 0.919 99.1 33.4 -48.8 -64.7 19.4 90.7 55.4 299 299 A L H > S+ 0 0 15 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.894 119.3 56.3 -62.1 -38.0 17.1 93.4 56.6 300 300 A N H X S+ 0 0 2 -4,-0.5 4,-1.6 1,-0.2 -2,-0.2 0.829 106.4 46.4 -66.9 -35.3 14.3 90.9 56.8 301 301 A L H X S+ 0 0 1 -4,-2.8 4,-2.7 2,-0.2 -16,-0.3 0.864 108.4 58.0 -73.4 -35.7 16.1 88.4 59.1 302 302 A A H X S+ 0 0 4 -4,-1.9 4,-2.1 -5,-0.3 -2,-0.2 0.950 107.4 48.8 -56.2 -46.3 17.1 91.4 61.3 303 303 A A H X S+ 0 0 4 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.889 111.0 48.2 -61.5 -43.4 13.4 92.1 61.6 304 304 A S H X S+ 0 0 4 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.879 109.9 51.0 -69.0 -36.6 12.5 88.5 62.5 305 305 A D H X S+ 0 0 1 -4,-2.7 4,-3.0 1,-0.2 -2,-0.2 0.971 113.6 46.7 -60.1 -51.2 15.2 88.1 65.1 306 306 A V H X S+ 0 0 0 -4,-2.1 4,-2.9 -5,-0.3 5,-0.2 0.846 108.7 54.0 -58.1 -40.8 14.0 91.4 66.7 307 307 A S H X S+ 0 0 2 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.925 112.7 44.8 -62.1 -42.6 10.4 90.2 66.6 308 308 A T H X S+ 0 0 30 -4,-2.2 4,-1.4 2,-0.2 -2,-0.2 0.937 114.6 47.5 -66.9 -47.0 11.4 87.1 68.5 309 309 A L H X S+ 0 0 0 -4,-3.0 4,-2.1 1,-0.2 3,-0.4 0.922 111.1 51.3 -60.2 -47.2 13.6 88.9 71.0 310 310 A Y H X S+ 0 0 23 -4,-2.9 4,-1.8 1,-0.2 -1,-0.2 0.916 111.3 47.8 -57.3 -46.2 10.9 91.5 71.7 311 311 A R H X S+ 0 0 95 -4,-1.9 4,-1.1 -5,-0.2 -1,-0.2 0.718 112.2 47.5 -72.4 -21.2 8.3 88.9 72.3 312 312 A L H X S+ 0 0 16 -4,-1.4 4,-2.0 -3,-0.4 -1,-0.2 0.790 112.4 50.5 -85.7 -31.2 10.4 86.8 74.7 313 313 A L H X S+ 0 0 2 -4,-2.1 4,-2.2 -5,-0.2 5,-0.2 0.811 105.7 57.2 -72.7 -33.8 11.4 90.0 76.6 314 314 A L H X>S+ 0 0 22 -4,-1.8 4,-2.4 -5,-0.2 5,-0.9 0.961 109.6 44.3 -61.4 -50.3 7.7 90.9 76.9 315 315 A K H X5S+ 0 0 69 -4,-1.1 6,-1.8 1,-0.2 4,-1.1 0.936 112.8 51.0 -59.5 -48.1 6.9 87.6 78.6 316 316 A A H <5S+ 0 0 13 -4,-2.0 6,-0.3 5,-0.3 -1,-0.2 0.885 119.8 37.1 -58.2 -40.6 10.0 87.8 80.9 317 317 A Y H <5S+ 0 0 55 -4,-2.2 3,-0.4 4,-0.2 -2,-0.2 0.986 129.8 22.9 -78.2 -64.9 9.1 91.3 82.0 318 318 A R H <5S+ 0 0 182 -4,-2.4 -3,-0.2 -5,-0.2 -2,-0.1 0.871 134.7 36.2 -75.6 -32.3 5.3 91.6 82.2 319 319 A E S < + 0 0 84 -6,-1.8 3,-1.2 1,-0.2 -5,-0.3 -0.549 11.3 155.4-100.7 73.3 8.9 84.3 82.5 322 322 A G G > + 0 0 34 -2,-1.0 3,-0.6 -6,-0.3 -1,-0.2 0.574 62.3 76.6 -73.4 -8.4 12.6 84.8 82.1 323 323 A E G > S+ 0 0 134 1,-0.2 3,-1.4 2,-0.1 -1,-0.2 0.781 82.3 68.8 -71.0 -27.7 13.1 81.1 81.4 324 324 A L G X S+ 0 0 28 -3,-1.2 3,-1.7 1,-0.3 -1,-0.2 0.781 81.1 73.7 -62.6 -29.9 11.7 81.6 77.8 325 325 A L G X S+ 0 0 7 -3,-0.6 3,-0.9 -4,-0.3 4,-0.3 0.655 82.3 72.9 -62.6 -11.8 14.8 83.7 76.8 326 326 A E G < S+ 0 0 149 -3,-1.4 3,-0.3 1,-0.2 4,-0.3 0.795 92.0 54.2 -73.1 -26.9 16.8 80.5 76.7 327 327 A R G <> S+ 0 0 146 -3,-1.7 4,-2.3 -4,-0.2 -1,-0.2 0.441 76.7 104.2 -90.5 7.6 15.1 79.4 73.5 328 328 A Y H <> S+ 0 0 0 -3,-0.9 4,-2.4 1,-0.2 5,-0.2 0.912 81.9 44.7 -52.0 -55.7 15.8 82.5 71.6 329 329 A S H > S+ 0 0 9 -3,-0.3 4,-2.5 -4,-0.3 -1,-0.2 0.857 111.3 53.3 -59.3 -42.2 18.6 81.0 69.4 330 330 A A H > S+ 0 0 53 -4,-0.3 4,-0.9 2,-0.2 -1,-0.2 0.910 112.1 45.0 -61.1 -43.6 16.7 77.8 68.7 331 331 A I H >X S+ 0 0 33 -4,-2.3 4,-0.9 1,-0.2 3,-0.7 0.967 117.4 43.1 -65.3 -51.1 13.7 79.8 67.4 332 332 A C H 3X S+ 0 0 4 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.827 107.0 59.2 -64.0 -40.7 15.7 82.2 65.3 333 333 A L H 3X S+ 0 0 25 -4,-2.5 4,-2.1 -5,-0.2 -1,-0.2 0.727 96.6 61.2 -65.8 -25.3 18.1 79.7 63.8 334 334 A R H - 0 0 47 -2,-0.6 3,-0.6 -5,-0.1 2,-0.2 -0.760 16.3-114.1-100.8 148.4 31.1 81.9 38.6 354 354 A P T 3 S+ 0 0 72 0, 0.0 -1,-0.0 0, 0.0 0, 0.0 -0.512 95.1 18.0 -78.4 149.8 34.8 81.8 37.6 355 355 A D T 3 S+ 0 0 170 1,-0.2 2,-0.5 -2,-0.2 0, 0.0 0.870 80.7 158.6 60.0 43.9 36.3 78.4 36.6 356 356 A T < - 0 0 46 -3,-0.6 -1,-0.2 2,-0.0 2,-0.0 -0.849 34.0-135.9-100.4 123.9 33.0 76.7 36.0 357 357 A D > - 0 0 104 -2,-0.5 4,-1.3 1,-0.1 3,-0.3 -0.278 29.6 -96.9 -72.0 168.4 33.2 73.6 33.8 358 358 A A H > S+ 0 0 78 1,-0.2 4,-2.2 2,-0.2 3,-0.2 0.848 119.4 57.1 -52.7 -43.9 30.7 72.9 31.0 359 359 A F H > S+ 0 0 153 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.928 106.9 46.9 -57.8 -49.2 28.6 70.5 33.1 360 360 A S H > S+ 0 0 43 -3,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.781 108.8 55.9 -65.7 -26.3 27.9 73.0 35.9 361 361 A Q H X S+ 0 0 102 -4,-1.3 4,-2.1 2,-0.2 -1,-0.2 0.943 109.9 46.3 -66.5 -49.5 27.0 75.7 33.3 362 362 A R H X S+ 0 0 165 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.876 112.4 49.8 -60.0 -42.6 24.4 73.3 31.9 363 363 A I H X S+ 0 0 79 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.907 109.2 51.4 -64.6 -42.6 23.1 72.5 35.3 364 364 A Q H X S+ 0 0 36 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.917 111.9 47.3 -60.3 -42.7 22.7 76.2 36.3 365 365 A Q H X S+ 0 0 72 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.909 113.9 46.9 -64.9 -42.5 20.8 76.9 33.1 366 366 A T H X S+ 0 0 69 -4,-2.1 4,-3.2 2,-0.2 5,-0.3 0.798 104.0 61.2 -69.7 -33.2 18.5 73.8 33.6 367 367 A E H X S+ 0 0 59 -4,-2.4 4,-2.8 2,-0.2 5,-0.3 0.952 110.1 43.2 -57.3 -47.8 17.9 74.8 37.3 368 368 A L H X S+ 0 0 6 -4,-1.7 4,-3.0 1,-0.2 5,-0.3 0.960 113.3 50.9 -62.3 -51.0 16.4 77.9 35.9 369 369 A E H X S+ 0 0 88 -4,-2.5 4,-0.6 1,-0.2 -2,-0.2 0.863 115.9 41.9 -55.3 -41.5 14.5 76.1 33.2 370 370 A Y H >X S+ 0 0 125 -4,-3.2 4,-2.1 2,-0.2 3,-0.5 0.962 118.2 42.7 -72.1 -53.6 13.0 73.7 35.6 371 371 A Y H 3< S+ 0 0 61 -4,-2.8 -2,-0.2 -5,-0.3 10,-0.2 0.843 117.7 45.5 -63.5 -36.2 12.2 76.0 38.4 372 372 A L H 3< S+ 0 0 5 -4,-3.0 -1,-0.2 -5,-0.3 -2,-0.2 0.631 118.7 44.5 -82.7 -10.4 10.8 78.7 36.2 373 373 A G H << S+ 0 0 51 -4,-0.6 2,-0.4 -3,-0.5 -2,-0.2 0.699 98.2 75.0-104.5 -22.7 8.8 76.2 34.2 374 374 A S X - 0 0 27 -4,-2.1 4,-2.7 1,-0.1 5,-0.3 -0.749 69.3-140.7 -95.1 140.3 7.2 73.9 36.8 375 375 A E H > S+ 0 0 109 -2,-0.4 4,-1.6 2,-0.2 -1,-0.1 0.892 108.9 46.6 -62.8 -41.4 4.3 75.0 38.9 376 376 A A H > S+ 0 0 63 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.935 112.6 52.7 -65.1 -41.6 5.8 73.3 42.0 377 377 A G H >> S+ 0 0 1 1,-0.2 4,-1.3 -7,-0.2 3,-0.8 0.934 108.4 46.9 -57.8 -52.6 9.1 75.0 41.1 378 378 A L H 3X S+ 0 0 18 -4,-2.7 4,-2.9 1,-0.3 -1,-0.2 0.834 108.5 59.0 -58.9 -35.2 7.7 78.5 40.9 379 379 A A H 3X S+ 0 0 27 -4,-1.6 4,-2.4 -5,-0.3 5,-0.3 0.810 100.6 53.0 -65.1 -35.1 5.9 77.9 44.2 380 380 A T H