==== 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 1PBD . 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) . 17287.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 289 73.9 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 . 69 17.6 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 . 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 . 31 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 117 29.9 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 4 0 1 0 0 1 0 1 2 0 1 1 0 0 0 0 0 1 0 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 3 2 1 0 3 1 0 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 0 107 0, 0.0 150,-1.9 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 176.0 22.8 106.0 84.1 2 2 A K B +a 151 0A 128 148,-0.2 2,-0.3 136,-0.0 150,-0.2 -0.994 360.0 158.0-151.3 142.8 20.4 103.0 84.2 3 3 A T - 0 0 9 148,-2.7 3,-0.2 -2,-0.3 25,-0.1 -0.889 42.0-118.7-151.9 178.0 17.9 101.5 81.9 4 4 A Q S S+ 0 0 45 23,-1.0 149,-2.4 1,-0.3 150,-2.0 0.890 98.5 20.1 -91.0 -51.7 16.2 98.1 81.3 5 5 A V E -de 28 154B 1 22,-1.8 24,-1.7 148,-0.2 2,-0.5 -0.973 68.6-156.6-124.2 118.9 17.4 97.2 77.8 6 6 A A E -de 29 155B 0 148,-2.3 150,-2.8 -2,-0.5 2,-0.5 -0.830 11.4-158.0 -93.5 131.6 20.6 98.8 76.3 7 7 A I E -de 30 156B 0 22,-3.4 24,-2.6 -2,-0.5 2,-0.6 -0.955 4.3-154.9-115.7 121.7 20.7 98.7 72.5 8 8 A I E +de 31 157B 8 148,-2.3 150,-1.7 -2,-0.5 24,-0.2 -0.875 66.8 28.3 -95.9 115.9 24.0 98.9 70.7 9 9 A G - 0 0 7 22,-3.0 23,-0.2 -2,-0.6 22,-0.1 0.339 59.3-141.6 105.4 125.9 23.5 100.3 67.1 10 10 A A + 0 0 0 4,-0.1 -1,-0.1 20,-0.1 22,-0.1 -0.291 61.1 118.4-112.8 43.3 20.9 102.6 65.7 11 11 A G S > S- 0 0 12 147,-0.5 4,-2.2 29,-0.0 5,-0.3 -0.217 91.3 -73.5 -88.2-167.3 20.4 101.0 62.3 12 12 A P H > S+ 0 0 16 0, 0.0 4,-2.3 0, 0.0 5,-0.3 0.885 132.3 55.0 -61.4 -34.8 17.0 99.6 61.5 13 13 A S H > S+ 0 0 15 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.964 113.2 40.3 -59.1 -56.7 17.3 96.6 63.9 14 14 A G H > S+ 0 0 0 144,-0.4 4,-2.8 2,-0.2 -1,-0.2 0.890 117.0 47.0 -61.0 -45.7 18.1 98.7 66.9 15 15 A L H X S+ 0 0 1 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.885 114.2 48.9 -65.2 -40.0 15.6 101.5 66.2 16 16 A L H X S+ 0 0 4 -4,-2.3 4,-2.3 -5,-0.3 -2,-0.2 0.921 113.9 44.9 -66.5 -44.8 12.8 99.0 65.4 17 17 A L H X S+ 0 0 0 -4,-2.5 4,-2.9 -5,-0.3 5,-0.2 0.948 114.2 51.7 -61.9 -47.0 13.5 97.0 68.6 18 18 A G H X S+ 0 0 0 -4,-2.8 4,-2.5 -5,-0.2 -2,-0.2 0.871 110.4 46.8 -57.0 -43.9 13.7 100.3 70.5 19 19 A Q H X S+ 0 0 10 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.919 113.0 48.7 -66.2 -47.2 10.4 101.6 69.2 20 20 A L H X S+ 0 0 2 -4,-2.3 4,-1.5 2,-0.2 -2,-0.2 0.960 114.8 45.3 -57.5 -51.2 8.6 98.3 69.9 21 21 A L H <>S+ 0 0 0 -4,-2.9 5,-2.4 2,-0.2 3,-0.3 0.916 112.1 51.1 -58.7 -46.0 10.0 98.2 73.4 22 22 A H H ><5S+ 0 0 54 -4,-2.5 3,-2.4 1,-0.2 -1,-0.2 0.957 107.8 52.4 -57.8 -51.6 9.2 101.8 74.1 23 23 A K H 3<5S+ 0 0 119 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.785 109.0 51.7 -53.5 -33.2 5.6 101.5 73.0 24 24 A A T 3<5S- 0 0 40 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.329 122.9-103.9 -87.2 2.9 5.2 98.5 75.4 25 25 A G T < 5S+ 0 0 53 -3,-2.4 2,-0.8 1,-0.2 -3,-0.2 0.501 78.8 131.4 89.0 6.2 6.5 100.4 78.4 26 26 A I < - 0 0 8 -5,-2.4 -1,-0.2 -6,-0.2 -2,-0.2 -0.814 55.0-132.3 -98.5 109.7 10.0 98.9 78.5 27 27 A D + 0 0 91 -2,-0.8 -22,-1.8 -3,-0.1 -23,-1.0 -0.385 31.3 176.1 -65.8 134.0 12.6 101.6 78.8 28 28 A N E -d 5 0B 5 -24,-0.2 91,-0.5 -25,-0.1 2,-0.4 -0.931 21.4-151.0-138.3 153.8 15.6 101.3 76.4 29 29 A V E -d 6 0B 5 -24,-1.7 -22,-3.4 -2,-0.3 2,-0.4 -0.998 12.9-150.1-126.2 130.6 18.7 103.3 75.5 30 30 A I E -df 7 120B 0 89,-1.6 91,-3.1 -2,-0.4 2,-0.5 -0.859 6.1-163.1-104.3 136.2 20.3 103.2 72.1 31 31 A L E -df 8 121B 2 -24,-2.6 -22,-3.0 -2,-0.4 2,-0.4 -0.971 9.3-176.2-119.8 114.4 24.1 103.8 71.6 32 32 A E - 0 0 11 89,-2.1 92,-2.9 -2,-0.5 91,-0.1 -0.942 21.4-153.0-116.0 134.5 25.3 104.6 68.1 33 33 A R S S+ 0 0 147 -2,-0.4 -1,-0.1 90,-0.3 2,-0.1 0.846 79.4 43.4 -69.8 -37.9 29.0 105.0 67.2 34 34 A Q S S- 0 0 42 89,-0.1 89,-2.3 1,-0.1 90,-0.2 -0.127 93.5 -83.9 -96.6-166.6 28.3 107.4 64.3 35 35 A T >> - 0 0 38 87,-0.2 4,-2.1 88,-0.1 3,-1.1 -0.670 38.3-106.6-100.7 159.8 26.1 110.4 63.6 36 36 A P H 3> S+ 0 0 45 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.860 119.6 47.1 -51.6 -45.7 22.4 110.5 62.5 37 37 A D H 34 S+ 0 0 124 2,-0.2 4,-0.2 1,-0.2 -3,-0.0 0.697 106.1 58.2 -75.6 -17.7 23.3 111.6 58.9 38 38 A Y H X4 S+ 0 0 121 -3,-1.1 3,-1.8 2,-0.2 4,-0.4 0.962 110.1 43.9 -71.5 -50.7 26.0 109.0 58.6 39 39 A V H >< S+ 0 0 5 -4,-2.1 3,-1.2 1,-0.3 -2,-0.2 0.890 112.1 54.2 -58.0 -40.8 23.4 106.3 59.3 40 40 A L T 3< S+ 0 0 52 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.491 96.8 67.0 -74.3 -4.4 21.0 108.1 56.9 41 41 A G T < S+ 0 0 48 -3,-1.8 2,-0.5 -4,-0.2 -1,-0.2 0.592 74.2 102.2 -91.3 -11.2 23.6 108.0 54.1 42 42 A R < - 0 0 57 -3,-1.2 -4,-0.0 -4,-0.4 -3,-0.0 -0.635 50.9-170.9 -77.5 121.4 23.5 104.2 53.7 43 43 A I + 0 0 25 -2,-0.5 59,-0.6 59,-0.1 60,-0.6 0.981 37.0 126.2 -74.6 -64.5 21.4 103.3 50.7 44 44 A R + 0 0 116 58,-0.1 -1,-0.1 57,-0.1 59,-0.0 -0.010 48.4 42.7 48.2-132.8 21.1 99.5 51.0 45 45 A A + 0 0 25 1,-0.1 57,-2.2 56,-0.1 58,-0.3 0.057 37.1 164.3 -50.3 150.7 17.7 97.6 51.0 46 46 A G + 0 0 9 55,-0.2 54,-1.6 1,-0.2 2,-0.4 0.528 58.4 71.7-138.1 -25.5 14.7 98.2 48.8 47 47 A V E -I 99 0C 15 52,-0.2 2,-0.4 50,-0.0 253,-0.2 -0.868 56.4-173.2-107.5 128.7 12.5 95.1 49.2 48 48 A L E -I 98 0C 0 50,-2.4 50,-2.4 -2,-0.4 249,-0.1 -0.964 19.8-127.9-121.4 138.3 10.5 94.3 52.4 49 49 A E > - 0 0 6 -2,-0.4 4,-1.9 48,-0.2 3,-0.4 -0.322 30.0-110.5 -75.2 163.1 8.4 91.2 53.3 50 50 A Q H > S+ 0 0 62 336,-0.7 4,-2.2 46,-0.5 5,-0.2 0.838 117.7 60.5 -65.2 -32.2 4.8 91.6 54.5 51 51 A G H > S+ 0 0 26 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.859 105.8 45.5 -63.0 -37.9 5.9 90.5 58.0 52 52 A M H > S+ 0 0 2 -3,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.853 109.9 56.3 -71.1 -37.9 8.3 93.5 58.3 53 53 A V H X S+ 0 0 18 -4,-1.9 4,-1.5 1,-0.2 -2,-0.2 0.911 110.2 44.5 -60.2 -41.8 5.5 95.7 56.9 54 54 A D H X S+ 0 0 55 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.726 109.4 56.2 -74.1 -24.6 3.2 94.6 59.7 55 55 A L H X S+ 0 0 3 -4,-1.0 4,-1.7 2,-0.2 -2,-0.2 0.865 107.6 48.7 -74.0 -36.7 5.9 95.0 62.2 56 56 A L H <>S+ 0 0 3 -4,-2.1 5,-2.4 2,-0.2 -2,-0.2 0.865 110.7 50.7 -68.9 -39.8 6.4 98.7 61.2 57 57 A R H ><5S+ 0 0 145 -4,-1.5 3,-1.3 1,-0.2 5,-0.2 0.917 111.2 48.8 -64.3 -41.3 2.6 99.1 61.4 58 58 A E H 3<5S+ 0 0 82 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.813 106.1 55.1 -68.4 -32.0 2.7 97.6 64.9 59 59 A A T 3<5S- 0 0 1 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.441 118.2-119.9 -77.6 -0.7 5.6 99.9 65.9 60 60 A G T < 5S+ 0 0 50 -3,-1.3 -3,-0.2 -5,-0.1 3,-0.2 0.635 83.9 110.7 72.4 20.4 3.2 102.6 64.8 61 61 A V < + 0 0 20 -5,-2.4 -4,-0.2 1,-0.1 4,-0.2 -0.436 37.2 102.1-122.7 58.8 5.5 104.0 62.1 62 62 A D > + 0 0 43 -5,-0.2 4,-3.2 -2,-0.1 5,-0.2 0.442 43.6 100.7-120.7 2.4 3.8 103.1 58.8 63 63 A R H > S+ 0 0 169 1,-0.2 4,-1.0 2,-0.2 5,-0.1 0.954 91.8 36.3 -51.7 -63.5 2.1 106.3 57.7 64 64 A R H > S+ 0 0 57 1,-0.2 4,-3.4 2,-0.2 5,-0.4 0.855 117.9 52.3 -61.9 -37.7 4.7 107.4 55.1 65 65 A M H > S+ 0 0 11 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.937 107.1 52.3 -64.5 -44.2 5.4 103.8 54.1 66 66 A A H < S+ 0 0 79 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.713 118.6 38.6 -63.0 -23.1 1.7 103.2 53.5 67 67 A R H < S+ 0 0 133 -4,-1.0 -2,-0.2 -3,-0.3 -1,-0.2 0.815 129.8 25.0 -95.6 -39.2 1.7 106.3 51.3 68 68 A D H < S+ 0 0 71 -4,-3.4 -3,-0.2 -5,-0.1 -2,-0.2 0.641 94.4 98.5-104.1 -20.5 5.0 106.0 49.5 69 69 A G < - 0 0 18 -4,-3.0 2,-0.5 -5,-0.4 31,-0.2 -0.412 66.7-133.7 -69.6 148.3 5.8 102.3 49.5 70 70 A L E -J 99 0C 59 29,-2.0 29,-3.1 144,-0.1 2,-0.6 -0.914 7.8-140.4-108.1 130.3 5.0 100.3 46.3 71 71 A V E -J 98 0C 91 -2,-0.5 2,-0.5 27,-0.2 27,-0.2 -0.795 18.8-162.4 -91.1 119.0 3.3 96.9 46.5 72 72 A H E -J 97 0C 12 25,-3.0 25,-1.7 -2,-0.6 126,-0.1 -0.905 16.8-176.6-105.5 132.4 4.7 94.5 43.9 73 73 A E + 0 0 89 -2,-0.5 16,-1.7 23,-0.2 15,-0.8 0.412 69.8 22.0-104.8 -3.7 2.8 91.3 42.9 74 74 A G E -K 87 0D 1 13,-0.3 125,-0.4 14,-0.2 2,-0.3 -0.985 57.1-154.5-157.7 162.2 5.4 89.8 40.6 75 75 A V E -K 86 0D 7 11,-1.7 11,-3.2 -2,-0.3 2,-0.4 -0.902 19.0-133.1-136.4 156.6 9.1 89.8 39.8 76 76 A E E -Kl 85 200D 26 123,-2.0 125,-2.7 -2,-0.3 2,-0.4 -0.958 10.6-164.7-118.3 145.3 10.9 89.0 36.5 77 77 A I E -Kl 84 201D 10 7,-2.9 7,-3.2 -2,-0.4 2,-0.5 -0.994 8.7-164.0-125.4 125.3 13.9 86.7 35.8 78 78 A A E +Kl 83 202D 5 123,-3.0 125,-2.8 -2,-0.4 2,-0.3 -0.931 18.8 157.8-113.5 132.2 15.6 87.0 32.4 79 79 A F E > -K 82 0D 6 3,-2.0 3,-3.2 -2,-0.5 125,-0.1 -0.983 56.4 -13.5-152.2 148.8 18.0 84.3 31.2 80 80 A A T 3 S- 0 0 57 123,-0.4 3,-0.1 -2,-0.3 124,-0.1 0.661 130.6 -31.0 22.4 71.9 19.4 83.1 27.9 81 81 A G T 3 S+ 0 0 93 1,-0.2 -1,-0.3 -3,-0.0 2,-0.2 0.137 122.2 83.8 86.4 -20.3 17.1 84.8 25.5 82 82 A Q E < -K 79 0D 78 -3,-3.2 -3,-2.0 166,-0.0 2,-0.4 -0.724 56.7-149.1-122.0 167.6 13.9 85.0 27.6 83 83 A R E -K 78 0D 87 -5,-0.3 2,-0.4 -2,-0.2 -5,-0.3 -0.996 18.9-169.3-131.1 125.2 12.2 86.9 30.3 84 84 A R E -K 77 0D 84 -7,-3.2 -7,-2.9 -2,-0.4 2,-0.4 -0.965 10.2-147.2-125.7 129.8 9.9 85.2 32.8 85 85 A R E -K 76 0D 104 -2,-0.4 2,-0.6 -9,-0.2 -9,-0.2 -0.752 3.9-153.0 -94.6 137.8 7.5 86.7 35.3 86 86 A I E -K 75 0D 1 -11,-3.2 -11,-1.7 -2,-0.4 2,-1.4 -0.949 10.9-146.9-110.6 114.3 6.7 85.1 38.6 87 87 A D E > -K 74 0D 46 -2,-0.6 4,-2.0 -13,-0.2 -13,-0.3 -0.756 19.5-177.5 -83.0 93.2 3.3 86.0 39.8 88 88 A L H > S+ 0 0 0 -2,-1.4 4,-1.8 -15,-0.8 7,-0.4 0.896 72.7 60.3 -61.3 -43.9 4.1 86.1 43.6 89 89 A K H 4>S+ 0 0 89 -16,-1.7 5,-4.2 1,-0.2 6,-0.4 0.891 114.2 31.4 -56.5 -45.6 0.6 86.9 44.6 90 90 A R H 45S+ 0 0 144 -17,-0.3 3,-0.4 3,-0.2 -1,-0.2 0.860 120.5 51.1 -83.1 -31.9 -1.1 83.8 43.2 91 91 A L H <5S+ 0 0 23 -4,-2.0 292,-0.3 1,-0.2 -2,-0.2 0.647 115.3 42.5 -77.4 -16.4 1.8 81.4 43.6 92 92 A S T <5S- 0 0 21 -4,-1.8 -1,-0.2 3,-0.2 -2,-0.2 0.404 122.2 -98.6-108.1 0.2 2.2 82.3 47.2 93 93 A G T 5S- 0 0 70 -3,-0.4 -3,-0.2 -4,-0.3 -4,-0.1 0.901 86.0 -38.7 84.5 40.7 -1.4 82.3 48.2 94 94 A G S - 0 0 1 -2,-0.3 4,-1.9 113,-0.3 -55,-0.2 -0.116 13.1-130.7 -54.8 149.9 14.0 102.2 50.8 102 102 A Q H > S+ 0 0 15 -57,-2.2 4,-2.6 -59,-0.6 5,-0.2 0.834 110.2 59.4 -69.3 -31.6 16.0 101.3 53.9 103 103 A T H > S+ 0 0 27 -60,-0.6 4,-2.2 -58,-0.3 -1,-0.2 0.891 107.3 47.6 -61.9 -39.3 17.0 105.0 54.2 104 104 A E H > S+ 0 0 46 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.907 110.0 50.5 -67.2 -48.2 13.3 105.8 54.5 105 105 A V H X S+ 0 0 3 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.925 113.4 46.3 -56.8 -46.6 12.6 103.1 57.0 106 106 A T H X S+ 0 0 5 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.917 111.9 51.3 -62.7 -44.6 15.5 104.4 59.1 107 107 A R H X S+ 0 0 55 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.896 109.3 50.1 -58.1 -47.2 14.3 108.0 58.7 108 108 A D H X S+ 0 0 17 -4,-2.7 4,-1.8 2,-0.2 -1,-0.2 0.824 112.8 46.3 -63.0 -36.3 10.8 107.2 59.8 109 109 A L H X S+ 0 0 2 -4,-1.7 4,-2.9 2,-0.2 5,-0.2 0.885 109.6 53.8 -74.0 -40.2 12.0 105.3 62.9 110 110 A M H X S+ 0 0 28 -4,-2.6 4,-2.9 2,-0.2 -2,-0.2 0.919 111.3 46.3 -60.2 -42.4 14.5 108.1 63.9 111 111 A E H X S+ 0 0 104 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.934 111.8 51.3 -64.9 -47.1 11.6 110.6 63.7 112 112 A A H X S+ 0 0 22 -4,-1.8 4,-1.9 1,-0.2 -2,-0.2 0.916 115.2 42.0 -56.5 -45.3 9.4 108.4 65.7 113 113 A R H X>S+ 0 0 4 -4,-2.9 4,-1.3 2,-0.2 5,-0.8 0.920 110.5 55.5 -69.1 -46.8 12.0 107.9 68.4 114 114 A E H <5S+ 0 0 158 -4,-2.9 3,-0.3 -5,-0.2 -1,-0.2 0.902 111.8 46.5 -52.2 -41.7 13.1 111.6 68.4 115 115 A A H <5S+ 0 0 85 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.893 105.6 57.0 -71.0 -40.7 9.4 112.4 69.1 116 116 A S H <5S- 0 0 46 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.722 104.4-125.0 -64.8 -24.1 8.8 109.9 71.9 117 117 A G T <5 + 0 0 62 -4,-1.3 -3,-0.1 -3,-0.3 -1,-0.1 0.477 54.1 154.8 92.5 3.5 11.6 111.2 74.0 118 118 A A < - 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0 0 14 -2,-0.4 -21,-0.2 -21,-0.2 7,-0.1 -0.949 35.9 -99.9-124.0 146.4 23.1 86.8 53.6 292 292 A P > - 0 0 0 0, 0.0 3,-1.1 0, 0.0 5,-0.4 -0.444 37.0-117.1 -62.9 144.0 24.1 87.7 50.0 293 293 A P G > S+ 0 0 52 0, 0.0 3,-2.1 0, 0.0 5,-0.1 0.700 95.2 92.2 -52.1 -26.3 21.8 90.6 48.7 294 294 A T G 3 S+ 0 0 0 1,-0.3 50,-0.1 49,-0.1 49,-0.0 0.712 89.3 39.4 -44.5 -38.4 20.3 88.4 45.9 295 295 A G G < S- 0 0 1 -3,-1.1 -1,-0.3 44,-0.1 48,-0.1 0.461 102.6-126.3 -96.2 0.2 17.3 87.1 47.9 296 296 A A S < S+ 0 0 24 -3,-2.1 4,-0.2 -4,-0.2 -247,-0.1 0.863 70.1 126.5 56.7 47.1 16.6 90.5 49.6 297 297 A K > + 0 0 7 -5,-0.4 4,-3.0 2,-0.1 5,-0.3 0.699 35.9 88.1-105.5 -24.2 16.6 88.8 53.1 298 298 A G H > S+ 0 0 20 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.878 99.2 31.1 -42.0 -65.2 19.1 90.8 55.2 299 299 A L H > S+ 0 0 19 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.889 119.2 57.0 -64.7 -39.5 16.8 93.5 56.6 300 300 A N H > S+ 0 0 2 -253,-0.2 4,-1.4 -4,-0.2 -2,-0.2 0.844 107.3 47.1 -62.3 -35.7 13.9 91.1 56.6 301 301 A L H X S+ 0 0 2 -4,-3.0 4,-1.9 2,-0.2 -16,-0.3 0.848 109.2 54.8 -72.9 -36.3 15.8 88.6 58.8 302 302 A A H X S+ 0 0 5 -4,-1.6 4,-2.4 -5,-0.3 -2,-0.2 0.903 106.2 53.4 -60.9 -41.4 16.8 91.4 61.1 303 303 A A H X S+ 0 0 2 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.895 108.8 47.3 -61.9 -42.3 13.1 92.3 61.4 304 304 A S H X S+ 0 0 6 -4,-1.4 4,-1.8 2,-0.2 -1,-0.2 0.816 111.2 51.0 -71.5 -30.6 12.1 88.7 62.4 305 305 A D H X S+ 0 0 1 -4,-1.9 4,-3.4 2,-0.2 5,-0.2 0.961 112.9 46.9 -64.7 -54.6 15.0 88.4 65.0 306 306 A V H X S+ 0 0 0 -4,-2.4 4,-3.0 1,-0.2 5,-0.2 0.862 109.9 53.4 -53.5 -42.1 13.8 91.7 66.5 307 307 A S H X S+ 0 0 2 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.915 113.3 43.1 -62.9 -42.5 10.2 90.5 66.5 308 308 A T H X S+ 0 0 28 -4,-1.8 4,-1.9 2,-0.2 5,-0.2 0.966 115.4 47.9 -67.9 -51.2 11.2 87.4 68.4 309 309 A L H X S+ 0 0 1 -4,-3.4 4,-2.2 2,-0.2 3,-0.2 0.923 112.4 50.2 -55.7 -47.9 13.5 89.3 70.8 310 310 A Y H X S+ 0 0 24 -4,-3.0 4,-2.1 1,-0.2 -1,-0.2 0.966 111.9 46.5 -57.1 -53.9 10.8 91.9 71.5 311 311 A R H X S+ 0 0 93 -4,-2.1 4,-1.2 1,-0.2 -1,-0.2 0.754 112.5 49.1 -64.6 -24.9 8.1 89.3 72.2 312 312 A L H X S+ 0 0 17 -4,-1.9 4,-1.8 -3,-0.2 -1,-0.2 0.842 111.4 49.9 -80.7 -33.4 10.2 87.2 74.5 313 313 A L H X S+ 0 0 1 -4,-2.2 4,-2.7 -5,-0.2 5,-0.2 0.834 106.0 57.5 -71.3 -33.0 11.3 90.4 76.5 314 314 A L H X>S+ 0 0 18 -4,-2.1 4,-2.6 -5,-0.2 5,-0.8 0.945 109.0 44.9 -60.4 -49.0 7.6 91.4 76.8 315 315 A K H X5S+ 0 0 72 -4,-1.2 6,-2.1 1,-0.2 4,-0.9 0.884 113.9 50.0 -62.8 -40.4 6.8 88.1 78.5 316 316 A A H <5S+ 0 0 12 -4,-1.8 6,-0.4 4,-0.3 4,-0.3 0.905 119.4 36.4 -65.7 -42.5 9.9 88.3 80.7 317 317 A Y H <5S+ 0 0 55 -4,-2.7 -2,-0.2 2,-0.1 -3,-0.2 0.983 130.2 25.1 -77.3 -59.6 9.1 91.9 81.8 318 318 A R H <5S+ 0 0 183 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.1 0.852 134.7 32.8 -79.0 -30.8 5.3 92.0 82.1 319 319 A E S < + 0 0 98 -6,-2.1 3,-1.9 1,-0.2 4,-0.3 -0.353 12.6 155.3 -98.6 56.2 8.7 84.6 82.4 322 322 A G G > + 0 0 30 -2,-0.7 3,-0.8 -6,-0.4 -1,-0.2 0.597 59.8 75.4 -58.1 -13.8 12.4 85.3 82.0 323 323 A E G > S+ 0 0 123 1,-0.2 3,-1.7 -3,-0.2 4,-0.3 0.781 80.3 70.7 -70.1 -27.6 13.1 81.6 81.2 324 324 A L G X S+ 0 0 18 -3,-1.9 3,-2.0 1,-0.3 -1,-0.2 0.787 81.2 74.7 -60.9 -26.7 11.6 82.0 77.7 325 325 A L G X S+ 0 0 8 -3,-0.8 3,-1.0 -4,-0.3 -1,-0.3 0.648 80.7 70.4 -62.7 -15.3 14.6 84.1 76.7 326 326 A E G < S+ 0 0 147 -3,-1.7 3,-0.4 1,-0.2 4,-0.3 0.792 92.0 60.8 -72.1 -22.5 16.7 80.9 76.6 327 327 A R G <> S+ 0 0 146 -3,-2.0 4,-2.2 -4,-0.3 -1,-0.2 0.515 74.0 101.0 -82.9 -5.2 14.7 80.0 73.5 328 328 A Y H <> S+ 0 0 0 -3,-1.0 4,-2.4 1,-0.2 5,-0.2 0.900 83.3 41.8 -46.0 -59.0 15.8 83.0 71.4 329 329 A S H > S+ 0 0 10 -3,-0.4 4,-2.7 -4,-0.3 -1,-0.2 0.829 112.2 54.0 -60.5 -40.2 18.5 81.3 69.3 330 330 A A H > S+ 0 0 52 -4,-0.3 4,-1.0 -3,-0.2 -1,-0.2 0.923 112.6 43.7 -62.2 -46.6 16.5 78.1 68.6 331 331 A I H >X S+ 0 0 21 -4,-2.2 4,-0.9 1,-0.2 3,-0.6 0.982 118.6 43.0 -63.2 -53.4 13.5 80.1 67.3 332 332 A C H 3X S+ 0 0 4 -4,-2.4 4,-2.5 -5,-0.2 3,-0.4 0.852 106.6 59.2 -62.9 -42.7 15.6 82.5 65.2 333 333 A L H 3X S+ 0 0 24 -4,-2.7 4,-2.6 1,-0.2 5,-0.2 0.812 97.7 61.8 -60.7 -29.0 18.0 80.0 63.7 334 334 A R H - 0 0 95 -2,-0.5 4,-1.6 1,-0.1 5,-0.2 -0.355 26.7-102.5 -77.7 162.5 33.0 73.7 33.7 358 358 A A H > S+ 0 0 81 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.835 119.7 54.7 -51.1 -38.4 30.6 73.0 30.8 359 359 A F H > S+ 0 0 145 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.971 108.4 45.9 -63.6 -54.0 28.6 70.6 33.0 360 360 A S H > S+ 0 0 46 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.752 110.5 54.8 -63.1 -23.5 27.9 73.1 35.8 361 361 A Q H X S+ 0 0 111 -4,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.931 109.2 47.8 -71.3 -46.7 27.0 75.8 33.3 362 362 A R H X S+ 0 0 164 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.838 111.1 50.3 -61.0 -39.3 24.4 73.5 31.8 363 363 A I H X S+ 0 0 82 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.882 108.7 52.8 -68.8 -36.0 23.0 72.6 35.2 364 364 A Q H X S+ 0 0 39 -4,-1.7 4,-1.3 2,-0.2 -2,-0.2 0.909 111.6 45.5 -64.4 -42.0 22.7 76.3 36.1 365 365 A Q H X S+ 0 0 67 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.914 113.6 49.1 -66.5 -43.3 20.8 76.9 33.0 366 366 A T H X S+ 0 0 68 -4,-2.1 4,-2.5 2,-0.2 5,-0.2 0.833 103.3 60.6 -65.9 -36.1 18.5 73.9 33.5 367 367 A E H X S+ 0 0 59 -4,-2.3 4,-2.6 2,-0.2 5,-0.3 0.922 109.8 43.6 -56.4 -44.8 17.8 74.8 37.1 368 368 A L H X S+ 0 0 6 -4,-1.3 4,-2.8 1,-0.2 5,-0.2 0.952 112.9 51.1 -66.3 -48.2 16.3 78.1 35.8 369 369 A E H < S+ 0 0 88 -4,-2.3 4,-0.3 1,-0.2 -1,-0.2 0.792 115.5 42.7 -59.9 -32.7 14.4 76.3 33.0 370 370 A Y H >X S+ 0 0 124 -4,-2.5 4,-1.2 2,-0.2 3,-0.8 0.937 117.3 42.2 -79.7 -52.4 12.9 73.8 35.4 371 371 A Y H 3< S+ 0 0 63 -4,-2.6 3,-0.3 -5,-0.2 -2,-0.2 0.880 117.7 47.5 -64.5 -33.8 12.0 76.1 38.3 372 372 A L T 3< S+ 0 0 10 -4,-2.8 -1,-0.2 -5,-0.3 -2,-0.2 0.572 116.6 43.7 -83.5 -7.7 10.7 78.8 35.9 373 373 A G T <4 S+ 0 0 49 -3,-0.8 2,-0.5 -4,-0.3 -1,-0.2 0.509 98.3 80.1-113.7 -3.9 8.6 76.3 33.9 374 374 A S X - 0 0 23 -4,-1.2 4,-2.9 -3,-0.3 5,-0.3 -0.892 67.6-142.7-110.7 134.1 7.1 74.2 36.6 375 375 A E H > S+ 0 0 111 -2,-0.5 4,-1.4 1,-0.2 -1,-0.1 0.870 108.7 45.0 -56.2 -41.3 4.0 75.1 38.6 376 376 A A H > S+ 0 0 63 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.817 112.9 51.7 -73.1 -32.7 5.6 73.5 41.7 377 377 A G H > S+ 0 0 1 -7,-0.2 4,-1.3 2,-0.2 3,-0.5 0.936 108.0 49.5 -68.8 -46.5 9.0 75.1 41.0 378 378 A L H X S+ 0 0 24 -4,-2.9 4,-3.0 1,-0.2 3,-0.2 0.874 107.7 56.9 -59.0 -40.6 7.5 78.7 40.7 379 379 A A H X S+ 0 0 29 -4,-1.4 4,-2.4 -5,-0.3 5,-0.3 0.822 103.0 52.6 -61.2 -36.2 5.7 78.2 44.0 380 380 A T H X S+ 0 0 54 -4,-1.1 4,-0.8 -3,-0.5 -1,-0.2 0.817 113.2 44.5 -70.1 -34.3 9.0 77.4 45.8 381 381 A I H X S+ 0 0 9 -4,-1.3 4,-2.9 -3,-0.2 3,-0.2 0.964 114.8 50.5 -70.5 -50.5 10.6 80.6 44.5 382 382 A A H X S+ 0 0 0 -4,-3.0 4,-2.9 1,-0.2 5,-0.3 0.868 110.5 44.2 -55.1 -52.8 7.4 82.5 45.3 383 383 A E H X S+ 0 0 97 -4,-2.4 4,-0.7 -292,-0.3 -1,-0.2 0.829 117.4 46.8 -66.0 -32.1 6.8 81.5 48.9 384 384 A N H < S+ 0 0 12 -4,-0.8 4,-0.3 -5,-0.3 -2,-0.2 0.899 113.7 48.9 -74.4 -41.7 10.4 81.9 49.8 385 385 A Y H < S+ 0 0 9 -4,-2.9 -2,-0.2 1,-0.2 -3,-0.2 0.932 111.8 45.6 -64.0 -50.4 10.6 85.3 48.1 386 386 A V H < S- 0 0 3 -4,-2.9 -336,-0.7 -5,-0.2 -1,-0.2 0.735 129.0 -95.8 -65.5 -21.4 7.5 86.7 49.7 387 387 A G < - 0 0 4 -4,-0.7 -1,-0.2 -5,-0.3 -2,-0.2 0.087 28.7-100.8 112.1 132.4 8.9 85.4 53.0 388 388 A L - 0 0 39 -4,-0.3 -4,-0.1 1,-0.1 -49,-0.0 -0.530 57.9 -82.4 -78.8 149.2 8.3 82.2 54.9 389 389 A P - 0 0 97 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.125 40.3-113.3 -54.4 147.9 6.0 82.6 58.0 390 390 A Y 0 0 71 1,-0.1 -86,-0.0 -3,-0.1 -3,-0.0 -0.683 360.0 360.0 -80.3 137.8 7.3 83.9 61.3 391 391 A E 0 0 131 -2,-0.3 -1,-0.1 -60,-0.1 -59,-0.0 0.802 360.0 360.0 -94.5 360.0 7.2 81.2 64.0