==== 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 29-MAY-98 1BGN . COMPND 2 MOLECULE: P-HYDROXYBENZOATE HYDROXYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS FLUORESCENS; . AUTHOR M.H.M.EPPINK,H.A.SCHREUDER,W.J.H.VAN BERKEL . 391 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17289.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 293 74.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 6.1 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 . 27 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 9.7 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 2 1 0 0 1 0 1 2 0 0 1 1 0 0 0 0 1 0 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 3 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 0 106 0, 0.0 150,-2.6 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 158.9 22.6 105.7 84.3 2 2 A K B +a 151 0A 115 148,-0.2 2,-0.3 136,-0.0 150,-0.2 -0.962 360.0 161.3-135.8 152.5 20.3 102.7 84.3 3 3 A T - 0 0 11 148,-1.9 3,-0.2 -2,-0.3 150,-0.2 -0.892 41.0-118.7-154.7 176.7 17.8 101.2 81.9 4 4 A Q S S+ 0 0 52 23,-0.7 149,-2.6 1,-0.3 150,-1.8 0.907 98.4 22.4 -89.5 -56.5 16.1 97.9 81.4 5 5 A V E -de 28 154B 1 22,-1.9 24,-1.8 148,-0.2 2,-0.5 -0.955 69.2-155.9-117.0 120.7 17.3 97.0 77.9 6 6 A A E -de 29 155B 0 148,-2.7 150,-2.8 -2,-0.5 2,-0.5 -0.834 12.1-158.7 -93.1 131.8 20.6 98.4 76.4 7 7 A I E -de 30 156B 0 22,-3.3 24,-3.0 -2,-0.5 2,-0.7 -0.958 5.9-155.8-118.3 119.9 20.6 98.4 72.7 8 8 A I E +de 31 157B 7 148,-2.6 150,-2.0 -2,-0.5 24,-0.2 -0.860 66.1 31.6 -94.8 112.1 23.9 98.6 70.8 9 9 A G - 0 0 7 22,-3.2 23,-0.2 -2,-0.7 150,-0.1 0.346 55.9-144.8 111.9 121.4 23.3 100.0 67.3 10 10 A A + 0 0 0 4,-0.2 -1,-0.1 20,-0.1 22,-0.1 -0.238 63.0 115.1-107.0 39.7 20.9 102.5 65.7 11 11 A G S > S- 0 0 13 147,-0.5 4,-2.2 29,-0.0 5,-0.3 -0.289 93.6 -73.6 -88.1-169.9 20.5 100.8 62.4 12 12 A P H > S+ 0 0 18 0, 0.0 4,-2.9 0, 0.0 5,-0.3 0.881 131.9 54.2 -56.9 -40.6 17.0 99.4 61.5 13 13 A S H > S+ 0 0 15 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.958 113.0 40.8 -56.8 -56.5 17.3 96.4 64.0 14 14 A G H > S+ 0 0 0 144,-0.5 4,-2.6 2,-0.2 -1,-0.2 0.896 118.1 47.2 -60.2 -44.5 18.1 98.5 67.0 15 15 A L H X S+ 0 0 2 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.931 113.3 47.6 -64.7 -44.8 15.6 101.2 66.2 16 16 A L H X S+ 0 0 4 -4,-2.9 4,-2.3 -5,-0.3 -2,-0.2 0.922 115.1 45.5 -63.6 -43.8 12.8 98.8 65.4 17 17 A L H X S+ 0 0 0 -4,-2.5 4,-2.3 -5,-0.3 5,-0.2 0.909 112.9 51.6 -64.2 -43.5 13.5 96.8 68.7 18 18 A G H X S+ 0 0 0 -4,-2.6 4,-2.5 -5,-0.2 -2,-0.2 0.899 111.0 47.6 -60.3 -42.5 13.7 100.1 70.6 19 19 A Q H X S+ 0 0 14 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.911 111.7 48.5 -66.4 -46.2 10.4 101.3 69.3 20 20 A L H X S+ 0 0 2 -4,-2.3 4,-1.0 2,-0.2 -2,-0.2 0.919 115.4 44.6 -60.8 -45.6 8.5 98.1 69.9 21 21 A L H ><>S+ 0 0 0 -4,-2.3 5,-2.6 2,-0.2 3,-0.6 0.920 110.7 53.6 -66.8 -43.7 9.8 97.9 73.5 22 22 A H H ><5S+ 0 0 59 -4,-2.5 3,-1.7 1,-0.3 -2,-0.2 0.932 107.8 51.1 -57.4 -46.2 9.2 101.6 74.2 23 23 A K H 3<5S+ 0 0 122 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.748 107.8 52.8 -62.1 -27.0 5.6 101.2 73.2 24 24 A A T <<5S- 0 0 39 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.356 123.8-103.3 -89.6 3.9 5.1 98.2 75.5 25 25 A G T < 5S+ 0 0 55 -3,-1.7 2,-0.7 -4,-0.3 -3,-0.2 0.596 79.0 132.8 86.8 11.7 6.5 100.2 78.4 26 26 A I < - 0 0 7 -5,-2.6 -1,-0.2 -6,-0.2 -2,-0.2 -0.861 53.2-133.9-101.0 111.8 9.9 98.7 78.5 27 27 A D + 0 0 93 -2,-0.7 -22,-1.9 -3,-0.1 -23,-0.7 -0.384 30.8 174.6 -67.2 140.5 12.6 101.4 78.8 28 28 A N E -d 5 0B 6 -24,-0.2 91,-0.6 -25,-0.1 2,-0.4 -0.976 22.9-148.4-147.5 150.0 15.6 101.1 76.5 29 29 A V E -df 6 119B 5 -24,-1.8 -22,-3.3 -2,-0.3 2,-0.5 -0.980 12.8-150.4-120.6 135.7 18.7 103.1 75.6 30 30 A I E -df 7 120B 0 89,-1.9 91,-3.2 -2,-0.4 2,-0.5 -0.930 6.9-163.2-109.8 128.8 20.2 103.0 72.2 31 31 A L E -df 8 121B 2 -24,-3.0 -22,-3.2 -2,-0.5 2,-0.4 -0.956 9.5-175.8-111.8 121.8 24.0 103.5 71.8 32 32 A E - 0 0 11 89,-3.2 92,-2.8 -2,-0.5 91,-0.1 -0.982 22.3-155.7-124.2 130.4 25.3 104.4 68.3 33 33 A R S S+ 0 0 151 -2,-0.4 -1,-0.1 90,-0.3 89,-0.1 0.853 78.5 51.6 -67.3 -38.6 28.9 104.8 67.3 34 34 A Q S S- 0 0 39 89,-0.1 89,-2.2 1,-0.1 90,-0.2 -0.130 91.6 -92.5 -91.3-175.3 28.2 107.1 64.3 35 35 A T > - 0 0 37 87,-0.2 4,-1.8 88,-0.1 3,-0.5 -0.623 36.8-108.9 -95.6 160.9 26.1 110.2 63.7 36 36 A P H > S+ 0 0 43 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.872 119.5 55.9 -56.2 -36.2 22.5 110.2 62.6 37 37 A D H > S+ 0 0 126 2,-0.2 4,-0.8 1,-0.2 -3,-0.0 0.844 103.6 51.4 -64.0 -42.4 23.7 111.5 59.2 38 38 A Y H >4 S+ 0 0 127 -3,-0.5 3,-0.8 2,-0.2 4,-0.4 0.923 110.7 48.5 -64.1 -44.5 26.1 108.6 58.6 39 39 A V H >< S+ 0 0 6 -4,-1.8 3,-1.5 1,-0.2 -2,-0.2 0.938 109.5 53.2 -61.1 -43.9 23.4 106.1 59.3 40 40 A L H 3< S+ 0 0 62 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.667 98.4 66.5 -67.6 -16.5 21.0 107.9 56.9 41 41 A G T << S+ 0 0 50 -4,-0.8 2,-0.5 -3,-0.8 -1,-0.3 0.635 74.8 100.3 -80.2 -14.5 23.6 107.8 54.1 42 42 A R < - 0 0 56 -3,-1.5 -3,-0.0 -4,-0.4 -4,-0.0 -0.632 51.6-170.6 -77.7 118.2 23.5 104.0 53.8 43 43 A I + 0 0 24 -2,-0.5 59,-0.6 59,-0.1 60,-0.6 0.977 36.6 128.9 -70.8 -63.7 21.3 103.0 50.8 44 44 A R + 0 0 125 58,-0.1 -1,-0.1 57,-0.1 59,-0.0 -0.019 48.5 42.1 49.5-131.3 21.1 99.2 51.2 45 45 A A + 0 0 26 1,-0.1 57,-2.4 56,-0.1 58,-0.3 -0.005 37.3 164.8 -54.7 147.2 17.7 97.4 51.2 46 46 A G + 0 0 8 55,-0.2 54,-1.9 1,-0.2 2,-0.5 0.548 59.4 73.0-130.6 -24.1 14.8 98.0 48.9 47 47 A V E -I 99 0C 13 52,-0.2 2,-0.4 50,-0.0 253,-0.2 -0.868 55.4-173.0-109.2 124.5 12.5 94.9 49.3 48 48 A L E -I 98 0C 0 50,-3.2 50,-2.8 -2,-0.5 2,-0.1 -0.880 17.8-133.5-115.2 139.4 10.4 94.2 52.4 49 49 A E E > -I 97 0C 5 -2,-0.4 4,-2.2 48,-0.2 3,-0.5 -0.467 30.2-109.1 -82.2 162.8 8.4 91.1 53.3 50 50 A Q H > S+ 0 0 59 336,-0.7 4,-2.6 46,-0.5 5,-0.2 0.831 117.8 59.7 -61.9 -34.2 4.9 91.3 54.6 51 51 A G H > S+ 0 0 23 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.880 107.8 44.6 -63.2 -38.6 6.0 90.3 58.1 52 52 A M H > S+ 0 0 2 -3,-0.5 4,-2.2 2,-0.2 -2,-0.2 0.912 111.5 53.7 -70.8 -41.4 8.3 93.3 58.3 53 53 A V H X S+ 0 0 14 -4,-2.2 4,-1.3 1,-0.2 -2,-0.2 0.907 111.0 46.8 -58.5 -40.9 5.5 95.5 56.9 54 54 A D H X S+ 0 0 62 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.843 108.5 54.6 -71.9 -32.0 3.2 94.2 59.6 55 55 A L H X S+ 0 0 4 -4,-1.6 4,-1.9 2,-0.2 -1,-0.2 0.871 104.9 54.0 -69.9 -34.5 5.8 94.7 62.3 56 56 A L H <>S+ 0 0 3 -4,-2.2 5,-2.9 2,-0.2 -1,-0.2 0.878 109.1 49.2 -65.9 -34.9 6.2 98.4 61.3 57 57 A R H ><5S+ 0 0 142 -4,-1.3 3,-2.0 3,-0.2 -2,-0.2 0.933 108.6 52.1 -68.9 -44.5 2.5 98.9 61.7 58 58 A E H 3<5S+ 0 0 74 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.854 109.0 50.6 -59.5 -36.6 2.6 97.2 65.1 59 59 A A T 3<5S- 0 0 1 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.387 116.7-120.3 -81.5 1.1 5.4 99.7 66.1 60 60 A G T < 5S+ 0 0 51 -3,-2.0 -3,-0.2 -5,-0.1 3,-0.2 0.743 82.5 112.9 66.4 28.9 3.1 102.5 64.8 61 61 A V < + 0 0 14 -5,-2.9 -4,-0.2 -6,-0.1 4,-0.2 -0.369 39.5 98.9-125.0 53.5 5.6 103.7 62.2 62 62 A D > + 0 0 42 -5,-0.2 4,-2.9 2,-0.1 5,-0.2 0.479 45.8 98.6-120.6 3.3 3.8 102.8 58.9 63 63 A R H > S+ 0 0 157 1,-0.2 4,-1.5 2,-0.2 5,-0.2 0.956 91.6 37.6 -53.9 -63.5 2.2 106.1 57.8 64 64 A R H > S+ 0 0 51 1,-0.2 4,-3.4 2,-0.2 5,-0.3 0.858 117.1 54.2 -60.6 -34.9 4.8 107.1 55.2 65 65 A M H > S+ 0 0 10 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.918 105.7 50.6 -67.2 -43.3 5.3 103.5 54.2 66 66 A A H < S+ 0 0 80 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.802 119.1 39.9 -63.6 -30.0 1.6 102.9 53.4 67 67 A R H < S+ 0 0 152 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.916 128.9 26.3 -83.4 -50.0 1.6 106.1 51.3 68 68 A D H < S+ 0 0 66 -4,-3.4 -3,-0.2 -5,-0.2 -2,-0.2 0.621 94.8 100.8 -92.5 -20.8 5.0 105.8 49.6 69 69 A G < - 0 0 18 -4,-2.9 2,-0.6 -5,-0.3 31,-0.2 -0.344 64.1-135.6 -69.2 151.5 5.7 102.1 49.5 70 70 A L E -J 99 0C 53 29,-2.5 29,-3.3 144,-0.1 2,-0.5 -0.947 10.9-145.6-111.2 120.4 5.1 100.1 46.3 71 71 A V E -J 98 0C 89 -2,-0.6 2,-0.5 27,-0.2 27,-0.2 -0.746 16.4-158.3 -86.1 124.4 3.4 96.8 46.7 72 72 A H E -J 97 0C 12 25,-3.1 25,-1.9 -2,-0.5 126,-0.1 -0.932 19.3-176.9-109.7 132.9 4.7 94.3 44.1 73 73 A E S S+ 0 0 92 -2,-0.5 16,-1.9 23,-0.2 15,-0.6 0.451 70.6 21.4-101.7 -8.8 2.7 91.2 43.1 74 74 A G E -K 87 0D 1 13,-0.2 125,-0.5 14,-0.2 2,-0.3 -0.972 56.2-156.7-153.8 169.1 5.4 89.8 40.8 75 75 A V E -K 86 0D 6 11,-1.7 11,-3.3 -2,-0.3 2,-0.4 -0.954 18.9-131.8-147.1 155.2 9.1 89.7 39.9 76 76 A E E -Kl 85 200D 21 123,-2.6 125,-2.9 -2,-0.3 2,-0.5 -0.934 9.8-164.5-121.6 141.6 10.9 88.8 36.7 77 77 A I E -Kl 84 201D 10 7,-2.9 7,-3.3 -2,-0.4 2,-0.5 -0.990 10.6-163.8-121.1 126.6 13.9 86.5 35.9 78 78 A A E +Kl 83 202D 4 123,-2.9 125,-3.0 -2,-0.5 2,-0.3 -0.932 21.4 149.1-113.5 129.7 15.6 86.9 32.6 79 79 A F E > +K 82 0D 6 3,-2.0 3,-2.7 -2,-0.5 125,-0.1 -0.980 60.0 4.0-155.7 152.1 17.9 84.2 31.2 80 80 A A T 3 S- 0 0 66 123,-0.4 3,-0.1 -2,-0.3 124,-0.1 0.785 130.7 -50.6 40.4 44.6 19.0 82.8 27.8 81 81 A G T 3 S+ 0 0 86 1,-0.2 2,-0.3 -3,-0.0 -1,-0.3 0.693 118.0 107.7 72.1 18.6 16.9 85.3 25.9 82 82 A Q E < -K 79 0D 71 -3,-2.7 -3,-2.0 2,-0.0 2,-0.5 -0.905 54.3-153.6-125.6 154.3 13.7 84.7 27.9 83 83 A R E -K 78 0D 97 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.3 -0.994 15.6-170.2-129.7 117.3 11.9 86.8 30.5 84 84 A R E -K 77 0D 80 -7,-3.3 -7,-2.9 -2,-0.5 2,-0.4 -0.958 9.3-149.6-114.9 127.7 9.9 84.8 33.0 85 85 A R E -K 76 0D 109 -2,-0.5 2,-0.6 -9,-0.2 -9,-0.2 -0.785 2.9-152.1 -97.2 136.6 7.5 86.4 35.5 86 86 A I E -K 75 0D 1 -11,-3.3 -11,-1.7 -2,-0.4 2,-1.5 -0.951 10.8-145.5-106.8 115.2 6.8 84.9 38.8 87 87 A D E > -K 74 0D 36 -2,-0.6 4,-2.6 -13,-0.2 -13,-0.2 -0.730 20.2-178.1 -81.9 91.8 3.3 85.8 40.0 88 88 A L H > S+ 0 0 0 -2,-1.5 4,-2.1 -15,-0.6 7,-0.4 0.901 77.0 54.3 -56.6 -46.7 4.2 86.0 43.7 89 89 A K H >>S+ 0 0 84 -16,-1.9 5,-3.5 2,-0.2 4,-0.6 0.938 114.7 37.2 -55.7 -55.5 0.6 86.8 44.7 90 90 A R H >45S+ 0 0 136 -17,-0.3 3,-0.6 1,-0.2 -2,-0.2 0.935 120.4 46.3 -66.2 -46.5 -1.0 83.8 43.0 91 91 A L H 3<5S+ 0 0 26 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.703 113.8 45.2 -72.7 -21.6 1.8 81.3 43.7 92 92 A S H 3<5S- 0 0 17 -4,-2.1 -1,-0.2 3,-0.3 -2,-0.2 0.458 120.0 -97.8-101.1 -2.6 2.3 82.1 47.4 93 93 A G T <<5S- 0 0 65 -4,-0.6 -3,-0.2 -3,-0.6 -4,-0.1 0.875 85.6 -38.0 88.6 40.2 -1.4 82.2 48.4 94 94 A G S - 0 0 1 113,-0.3 4,-2.2 -2,-0.3 -55,-0.2 -0.112 12.9-132.7 -54.6 146.3 14.0 102.1 50.9 102 102 A Q H > S+ 0 0 16 -57,-2.4 4,-2.4 -59,-0.6 5,-0.2 0.844 111.1 57.9 -66.0 -33.7 16.0 101.1 54.0 103 103 A T H > S+ 0 0 22 -60,-0.6 4,-2.1 -58,-0.3 -1,-0.2 0.916 107.9 47.5 -61.2 -40.8 17.0 104.8 54.2 104 104 A E H > S+ 0 0 44 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.909 110.7 49.4 -67.2 -45.2 13.3 105.6 54.4 105 105 A V H X S+ 0 0 2 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.899 112.6 48.9 -59.5 -44.0 12.5 103.0 57.0 106 106 A T H X S+ 0 0 5 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.894 110.2 50.6 -65.0 -39.3 15.4 104.3 59.2 107 107 A R H X S+ 0 0 61 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.917 110.1 50.3 -65.7 -42.4 14.3 107.9 58.8 108 108 A D H X S+ 0 0 16 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.920 113.3 45.1 -62.3 -45.2 10.7 107.0 59.9 109 109 A L H X S+ 0 0 1 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.903 111.9 51.9 -66.1 -41.7 12.0 105.1 63.0 110 110 A M H X S+ 0 0 27 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.909 110.7 48.3 -62.2 -41.7 14.4 107.8 63.9 111 111 A E H X S+ 0 0 93 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.863 112.4 49.3 -66.8 -34.1 11.7 110.4 63.7 112 112 A A H X S+ 0 0 25 -4,-1.8 4,-1.9 -5,-0.2 -2,-0.2 0.920 112.9 45.8 -71.2 -43.2 9.4 108.3 65.8 113 113 A R H X>S+ 0 0 3 -4,-2.7 4,-1.1 2,-0.2 5,-1.0 0.937 111.0 53.0 -65.0 -45.2 12.1 107.7 68.5 114 114 A E H ><5S+ 0 0 160 -4,-2.6 3,-0.7 1,-0.2 -2,-0.2 0.923 110.9 48.2 -54.8 -46.3 13.0 111.3 68.6 115 115 A A H 3<5S+ 0 0 84 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.839 106.3 55.6 -65.5 -37.7 9.3 112.2 69.2 116 116 A S H 3<5S- 0 0 44 -4,-1.9 -1,-0.2 -3,-0.1 -2,-0.2 0.720 104.7-126.6 -69.3 -22.1 8.8 109.7 72.0 117 117 A G T <<5 + 0 0 63 -4,-1.1 -3,-0.2 -3,-0.7 -2,-0.1 0.551 53.2 156.3 86.1 8.5 11.6 111.1 74.0 118 118 A A < - 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0 0 44 -2,-0.6 3,-0.5 -5,-0.1 2,-0.1 -0.773 16.5-116.9 -96.3 138.4 31.0 81.9 38.6 354 354 A P T 3 S+ 0 0 74 0, 0.0 -1,-0.0 0, 0.0 0, 0.0 -0.424 94.0 15.9 -71.8 148.1 34.7 81.9 37.6 355 355 A D T 3 S+ 0 0 170 1,-0.2 2,-0.5 -2,-0.1 0, 0.0 0.922 82.0 160.7 57.3 50.9 36.2 78.5 36.5 356 356 A T < - 0 0 42 -3,-0.5 -1,-0.2 3,-0.0 2,-0.0 -0.889 32.6-134.0-102.4 127.9 32.9 76.7 36.0 357 357 A D > - 0 0 94 -2,-0.5 4,-1.9 1,-0.1 5,-0.2 -0.264 27.2 -99.9 -76.0 172.0 33.1 73.6 33.8 358 358 A A H > S+ 0 0 74 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.849 120.4 54.7 -61.0 -37.7 30.6 72.8 31.0 359 359 A F H > S+ 0 0 153 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.965 109.1 47.3 -62.0 -48.7 28.6 70.4 33.1 360 360 A S H > S+ 0 0 56 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.851 109.4 53.9 -60.7 -38.4 27.9 73.0 35.8 361 361 A Q H X S+ 0 0 109 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.904 110.1 47.0 -63.4 -42.8 27.0 75.6 33.3 362 362 A R H X S+ 0 0 163 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.898 111.7 50.5 -66.2 -41.2 24.4 73.4 31.8 363 363 A I H X S+ 0 0 80 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.907 108.9 52.5 -62.8 -40.2 23.0 72.4 35.2 364 364 A Q H X S+ 0 0 42 -4,-2.4 4,-1.5 1,-0.2 -2,-0.2 0.931 112.2 45.2 -61.2 -44.4 22.7 76.1 36.2 365 365 A Q H X S+ 0 0 63 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.905 112.6 50.8 -65.6 -42.3 20.8 76.8 33.0 366 366 A T H X S+ 0 0 70 -4,-2.6 4,-2.9 1,-0.2 5,-0.2 0.823 103.3 59.9 -66.7 -31.7 18.6 73.7 33.5 367 367 A E H X S+ 0 0 57 -4,-2.3 4,-2.7 2,-0.2 5,-0.3 0.929 109.7 43.2 -60.2 -45.7 17.8 74.7 37.2 368 368 A L H X S+ 0 0 5 -4,-1.5 4,-2.7 2,-0.2 5,-0.3 0.959 113.4 50.7 -65.6 -48.9 16.3 77.9 35.8 369 369 A E H X S+ 0 0 86 -4,-2.4 4,-0.6 1,-0.2 -2,-0.2 0.890 116.8 41.3 -56.6 -43.1 14.4 76.2 33.0 370 370 A Y H >X S+ 0 0 123 -4,-2.9 4,-1.5 2,-0.2 3,-1.0 0.977 117.1 44.6 -71.0 -52.6 13.0 73.7 35.4 371 371 A Y H 3< S+ 0 0 62 -4,-2.7 10,-0.2 1,-0.3 -2,-0.2 0.832 118.0 44.3 -63.6 -31.3 12.1 76.0 38.3 372 372 A L H 3< S+ 0 0 6 -4,-2.7 -1,-0.3 -5,-0.3 -2,-0.2 0.558 115.8 47.9 -89.6 -8.0 10.6 78.7 36.1 373 373 A G H << S+ 0 0 51 -3,-1.0 2,-0.4 -4,-0.6 -2,-0.2 0.578 98.9 73.2-106.6 -11.7 8.7 76.2 34.0 374 374 A S X - 0 0 27 -4,-1.5 4,-3.0 1,-0.1 5,-0.2 -0.861 69.4-142.0-107.3 139.1 7.0 74.1 36.6 375 375 A E H > S+ 0 0 112 -2,-0.4 4,-1.7 2,-0.2 -1,-0.1 0.850 108.7 46.9 -63.2 -37.2 4.1 75.2 38.8 376 376 A A H > S+ 0 0 62 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.904 113.4 49.3 -70.2 -41.9 5.7 73.4 41.8 377 377 A G H > S+ 0 0 1 -7,-0.2 4,-1.4 1,-0.2 3,-0.3 0.929 111.0 48.9 -62.2 -44.9 9.1 74.9 41.0 378 378 A L H X S+ 0 0 18 -4,-3.0 4,-2.8 1,-0.2 -1,-0.2 0.874 107.8 56.0 -62.9 -38.0 7.6 78.4 40.7 379 379 A A H X S+ 0 0 30 -4,-1.7 4,-2.6 1,-0.2 5,-0.3 0.838 102.6 54.1 -64.5 -35.3 5.8 78.0 44.0 380 380 A T H X S+ 0 0 54 -4,-1.5 4,-1.1 -3,-0.3 -1,-0.2 0.884 112.3 45.2 -68.9 -35.1 9.0 77.1 45.9 381 381 A I H X S+ 0 0 7 -4,-1.4 4,-2.7 -10,-0.2 -2,-0.2 0.963 114.9 47.9 -69.4 -50.2 10.6 80.4 44.6 382 382 A A H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 5,-0.3 0.905 110.8 48.2 -58.1 -47.6 7.4 82.5 45.4 383 383 A E H X S+ 0 0 101 -4,-2.6 4,-0.7 1,-0.2 -1,-0.2 0.847 116.1 44.9 -66.3 -31.8 6.9 81.2 49.0 384 384 A N H < S+ 0 0 15 -4,-1.1 4,-0.3 -5,-0.3 -1,-0.2 0.884 112.9 51.4 -76.7 -38.7 10.5 81.8 49.8 385 385 A Y H < S+ 0 0 5 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.895 110.9 44.6 -66.5 -45.0 10.6 85.2 48.2 386 386 A V H < S- 0 0 6 -4,-2.4 -336,-0.7 -5,-0.2 -1,-0.2 0.751 128.0 -99.3 -70.2 -22.9 7.5 86.6 49.9 387 387 A G < - 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