==== 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 18-OCT-99 1D7L . COMPND 2 MOLECULE: P-HYDROXYBENZOATE HYDROXYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR M.ORTIZ-MALDONADO,D.GATTI,D.P.BALLOU,V.MASSEY . 394 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17217.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 289 73.4 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 . 70 17.8 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 . 38 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 113 28.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.5 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 3 0 1 0 0 1 1 1 1 0 0 2 0 0 0 0 0 0 1 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 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 0 103 0, 0.0 150,-2.3 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 162.8 22.6 105.1 82.3 2 2 A K B +a 151 0A 169 148,-0.2 2,-0.3 136,-0.0 150,-0.2 -0.993 360.0 148.4-149.3 137.6 20.0 102.4 82.9 3 3 A T - 0 0 9 148,-2.0 3,-0.2 -2,-0.3 25,-0.1 -0.888 46.6-116.2-152.6-178.3 17.4 100.7 80.6 4 4 A Q S S+ 0 0 49 23,-0.4 149,-2.4 1,-0.3 150,-1.5 0.874 100.2 22.3 -94.8 -46.7 15.7 97.4 80.1 5 5 A V E S-de 28 154B 0 22,-1.8 24,-1.5 148,-0.2 2,-0.4 -0.976 70.5-154.0-126.5 118.9 17.0 96.4 76.7 6 6 A A E -de 29 155B 0 148,-2.9 150,-2.9 -2,-0.5 2,-0.5 -0.764 12.3-159.7 -90.1 134.2 20.2 97.8 75.3 7 7 A I E -de 30 156B 0 22,-3.1 24,-2.9 -2,-0.4 2,-0.7 -0.965 6.2-154.0-121.0 121.6 20.4 97.8 71.5 8 8 A I E +de 31 157B 6 148,-2.2 150,-1.7 -2,-0.5 24,-0.2 -0.838 66.2 29.6 -96.3 114.1 23.7 98.0 69.6 9 9 A G - 0 0 6 22,-2.5 23,-0.2 -2,-0.7 150,-0.1 0.364 58.4-139.7 109.7 121.7 23.2 99.5 66.2 10 10 A A + 0 0 0 4,-0.2 -1,-0.1 20,-0.1 22,-0.1 -0.214 66.6 114.9-102.1 40.3 20.8 102.0 64.7 11 11 A G S > S- 0 0 12 147,-0.5 4,-2.4 4,-0.0 5,-0.3 -0.205 92.5 -71.4 -91.2-168.6 20.3 100.2 61.4 12 12 A P H > S+ 0 0 22 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.871 132.6 50.4 -54.4 -41.6 17.0 98.6 60.4 13 13 A S H > S+ 0 0 13 2,-0.2 4,-2.4 1,-0.2 5,-0.3 0.963 113.8 40.2 -63.7 -56.1 17.2 95.9 63.0 14 14 A G H > S+ 0 0 0 144,-0.5 4,-3.0 1,-0.2 5,-0.2 0.932 117.8 49.1 -60.4 -46.2 18.0 98.0 66.0 15 15 A L H X S+ 0 0 0 -4,-2.4 4,-3.0 2,-0.2 5,-0.2 0.925 112.5 46.6 -60.1 -47.5 15.5 100.7 65.0 16 16 A L H X S+ 0 0 5 -4,-2.3 4,-2.7 -5,-0.3 -1,-0.2 0.928 116.2 44.3 -63.3 -45.2 12.6 98.3 64.3 17 17 A L H X S+ 0 0 0 -4,-2.4 4,-3.2 -5,-0.2 5,-0.3 0.940 115.1 49.3 -64.2 -46.6 13.2 96.3 67.6 18 18 A G H X S+ 0 0 0 -4,-3.0 4,-2.7 -5,-0.3 -2,-0.2 0.934 112.6 47.2 -57.6 -47.2 13.6 99.5 69.5 19 19 A Q H X S+ 0 0 4 -4,-3.0 4,-2.4 -5,-0.2 -2,-0.2 0.944 114.1 47.2 -60.4 -49.0 10.4 101.0 68.0 20 20 A L H X S+ 0 0 2 -4,-2.7 4,-1.0 1,-0.2 -2,-0.2 0.936 114.1 46.4 -57.4 -50.8 8.5 97.8 68.7 21 21 A L H <>S+ 0 0 0 -4,-3.2 5,-2.7 1,-0.2 3,-0.5 0.890 110.3 54.7 -61.1 -39.9 9.7 97.5 72.3 22 22 A H H ><5S+ 0 0 67 -4,-2.7 3,-2.1 -5,-0.3 -1,-0.2 0.946 105.7 50.7 -59.1 -50.8 9.0 101.2 72.9 23 23 A K H 3<5S+ 0 0 128 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.717 108.7 53.9 -60.9 -21.5 5.4 100.9 71.8 24 24 A A T 3<5S- 0 0 31 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.334 121.6-105.9 -95.3 6.0 4.9 98.0 74.2 25 25 A G T < 5S+ 0 0 59 -3,-2.1 2,-0.7 1,-0.2 -3,-0.2 0.640 75.7 136.3 81.3 15.2 6.2 99.9 77.1 26 26 A I < - 0 0 6 -5,-2.7 -1,-0.2 -6,-0.2 -2,-0.2 -0.861 54.7-126.6-101.2 112.3 9.6 98.2 77.3 27 27 A D + 0 0 97 -2,-0.7 -22,-1.8 -3,-0.1 -23,-0.4 -0.251 37.1 170.7 -57.5 137.2 12.5 100.7 77.9 28 28 A N E -d 5 0B 7 -24,-0.2 91,-0.7 -25,-0.1 2,-0.4 -0.992 22.4-159.3-153.5 143.2 15.3 100.5 75.3 29 29 A V E -df 6 119B 4 -24,-1.5 -22,-3.1 -2,-0.3 2,-0.5 -0.988 12.6-149.4-123.6 131.4 18.4 102.5 74.4 30 30 A I E -df 7 120B 0 89,-2.0 91,-3.3 -2,-0.4 2,-0.6 -0.865 4.9-160.2-104.2 133.4 20.1 102.3 71.0 31 31 A L E -df 8 121B 2 -24,-2.9 -22,-2.5 -2,-0.5 2,-0.5 -0.941 11.2-174.3-114.2 113.1 23.9 102.8 70.7 32 32 A E - 0 0 15 89,-2.7 92,-2.9 -2,-0.6 91,-0.2 -0.924 20.8-156.9-113.0 128.8 25.1 103.7 67.2 33 33 A R S S+ 0 0 132 -2,-0.5 -1,-0.1 90,-0.3 89,-0.0 0.894 78.4 54.0 -65.0 -42.6 28.8 104.0 66.2 34 34 A Q S S- 0 0 53 89,-0.1 89,-2.2 1,-0.1 90,-0.3 -0.115 92.0 -95.2 -85.7-177.2 28.1 106.3 63.2 35 35 A T > - 0 0 48 87,-0.2 4,-2.0 88,-0.1 5,-0.2 -0.579 36.9-107.0 -95.1 162.3 26.2 109.5 62.7 36 36 A P H > S+ 0 0 48 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.923 120.9 48.8 -54.7 -46.0 22.5 109.7 61.6 37 37 A D H 4 S+ 0 0 133 1,-0.2 4,-0.5 2,-0.2 -3,-0.0 0.834 106.7 56.1 -64.1 -34.9 23.5 110.9 58.1 38 38 A Y H >4 S+ 0 0 131 1,-0.2 3,-1.3 2,-0.2 4,-0.4 0.938 107.7 48.0 -63.3 -46.6 26.2 108.2 57.7 39 39 A V H >< S+ 0 0 6 -4,-2.0 3,-1.3 1,-0.3 -1,-0.2 0.897 108.9 55.3 -60.0 -40.5 23.6 105.5 58.3 40 40 A L T 3< S+ 0 0 31 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.555 91.5 73.8 -71.7 -7.7 21.2 107.2 55.8 41 41 A G T < S+ 0 0 47 -3,-1.3 2,-0.5 -4,-0.5 -1,-0.2 0.684 75.1 95.3 -79.4 -15.8 23.9 107.0 53.1 42 42 A R < - 0 0 71 -3,-1.3 -3,-0.0 -4,-0.4 -4,-0.0 -0.642 50.2-175.8 -82.8 123.3 23.4 103.3 52.6 43 43 A I + 0 0 25 -2,-0.5 60,-0.7 59,-0.1 59,-0.5 0.973 34.6 130.6 -77.8 -62.2 21.1 102.4 49.8 44 44 A R + 0 0 127 58,-0.1 -1,-0.1 57,-0.1 59,-0.0 -0.107 47.9 45.9 48.4-129.2 20.9 98.6 50.1 45 45 A A + 0 0 25 1,-0.1 57,-2.5 56,-0.1 58,-0.4 0.091 38.2 162.4 -49.4 150.3 17.5 96.8 50.2 46 46 A G + 0 0 7 55,-0.2 54,-1.8 1,-0.2 2,-0.5 0.480 59.9 70.7-137.7 -29.2 14.6 97.4 47.9 47 47 A V E -I 99 0C 13 52,-0.2 2,-0.4 50,-0.0 52,-0.2 -0.859 58.1-172.3-104.9 126.6 12.4 94.4 48.2 48 48 A L E -I 98 0C 0 50,-3.0 50,-2.7 -2,-0.5 2,-0.1 -0.936 18.8-130.6-118.3 137.4 10.4 93.8 51.4 49 49 A E E > -I 97 0C 2 -2,-0.4 4,-2.3 48,-0.2 3,-0.5 -0.382 31.0-108.6 -77.3 161.8 8.4 90.7 52.4 50 50 A Q H > S+ 0 0 47 46,-0.6 4,-3.0 336,-0.6 5,-0.2 0.860 120.5 60.3 -58.9 -34.6 4.8 91.0 53.6 51 51 A G H > S+ 0 0 19 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.889 106.2 44.9 -60.2 -40.9 6.1 90.0 57.1 52 52 A M H > S+ 0 0 2 -3,-0.5 4,-1.8 2,-0.2 -1,-0.2 0.906 112.0 53.3 -69.2 -41.3 8.4 93.0 57.1 53 53 A V H X S+ 0 0 13 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.932 111.1 45.8 -58.7 -46.2 5.6 95.2 55.9 54 54 A D H X S+ 0 0 69 -4,-3.0 4,-2.3 1,-0.2 -1,-0.2 0.905 109.0 54.7 -64.3 -41.9 3.4 94.1 58.7 55 55 A L H X S+ 0 0 4 -4,-2.1 4,-1.1 1,-0.2 -1,-0.2 0.837 107.4 51.9 -61.3 -32.4 6.1 94.5 61.3 56 56 A L H <>S+ 0 0 4 -4,-1.8 5,-2.0 2,-0.2 -1,-0.2 0.908 108.8 48.8 -70.3 -42.0 6.5 98.1 60.1 57 57 A R H ><5S+ 0 0 145 -4,-1.8 3,-1.1 1,-0.2 -2,-0.2 0.863 110.3 52.4 -64.5 -35.0 2.7 98.7 60.5 58 58 A E H 3<5S+ 0 0 77 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.773 104.6 55.5 -70.8 -26.4 2.9 97.2 64.0 59 59 A A T 3<5S- 0 0 1 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.465 114.8-122.3 -82.9 -2.1 5.8 99.6 64.8 60 60 A G T < 5S+ 0 0 43 -3,-1.1 2,-0.5 -4,-0.2 3,-0.3 0.587 84.0 112.8 71.2 10.3 3.3 102.3 63.8 61 61 A V < + 0 0 12 -5,-2.0 -1,-0.1 -6,-0.2 -3,-0.1 -0.593 38.3 96.4-113.4 68.6 5.9 103.4 61.2 62 62 A D > + 0 0 42 -2,-0.5 4,-2.6 -5,-0.2 5,-0.2 0.410 42.6 103.5-135.4 2.3 4.1 102.7 57.9 63 63 A R H > S+ 0 0 156 -3,-0.3 4,-1.6 1,-0.2 5,-0.1 0.944 90.4 38.8 -51.4 -58.0 2.5 105.9 56.7 64 64 A R H >>S+ 0 0 60 1,-0.2 4,-3.8 2,-0.2 5,-0.5 0.903 114.5 52.8 -62.1 -44.7 5.1 106.7 54.1 65 65 A M H >5S+ 0 0 11 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.915 108.0 52.1 -58.7 -42.5 5.6 103.1 52.9 66 66 A A H <5S+ 0 0 78 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.886 119.0 37.0 -60.8 -37.2 1.8 102.8 52.4 67 67 A R H <5S+ 0 0 151 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.888 131.0 25.5 -82.3 -43.4 1.9 106.0 50.3 68 68 A D H <5S+ 0 0 69 -4,-3.8 -3,-0.2 -5,-0.1 -2,-0.2 0.648 98.6 97.4 -97.9 -20.7 5.2 105.6 48.4 69 69 A G << - 0 0 17 -4,-2.5 2,-0.5 -5,-0.5 31,-0.2 -0.318 62.6-139.7 -71.8 154.5 5.8 101.9 48.3 70 70 A L E -J 99 0C 57 29,-2.1 29,-3.5 144,-0.1 2,-0.5 -0.964 6.3-141.7-119.0 127.5 4.9 99.7 45.4 71 71 A V E -J 98 0C 89 -2,-0.5 2,-0.5 27,-0.2 27,-0.2 -0.739 17.8-158.6 -85.3 128.0 3.3 96.3 45.7 72 72 A H E -J 97 0C 11 25,-2.7 25,-1.6 -2,-0.5 3,-0.1 -0.924 16.1-173.2-110.7 133.8 4.7 93.8 43.1 73 73 A E + 0 0 90 -2,-0.5 16,-2.0 23,-0.2 15,-0.5 0.417 70.0 14.0-102.1 -1.3 2.7 90.7 42.2 74 74 A G E -K 87 0D 0 13,-0.2 125,-0.4 14,-0.2 2,-0.3 -0.992 55.5-149.7-164.5 168.5 5.4 89.2 40.0 75 75 A V E -K 86 0D 5 11,-1.5 11,-3.7 -2,-0.3 2,-0.3 -0.955 19.1-131.7-141.9 156.4 9.0 89.2 38.9 76 76 A E E -Kl 85 200D 27 123,-2.3 125,-3.1 -2,-0.3 2,-0.4 -0.874 9.2-162.0-116.5 148.6 10.7 88.2 35.6 77 77 A I E -Kl 84 201D 0 7,-2.3 7,-3.0 -2,-0.3 2,-0.4 -0.997 8.3-162.6-127.7 125.3 13.7 86.0 34.9 78 78 A A E +Kl 83 202D 6 123,-3.0 125,-2.9 -2,-0.4 2,-0.3 -0.916 24.5 143.2-110.6 134.7 15.5 86.3 31.6 79 79 A F E > +K 82 0D 6 3,-1.8 3,-2.3 -2,-0.4 125,-0.1 -0.952 59.3 9.3-166.1 149.0 17.8 83.6 30.3 80 80 A A T 3 S- 0 0 52 123,-0.4 3,-0.1 -2,-0.3 124,-0.1 0.885 129.7 -53.6 42.0 54.1 18.8 81.8 27.1 81 81 A G T 3 S+ 0 0 91 1,-0.2 2,-0.3 -3,-0.0 -1,-0.3 0.679 117.7 110.9 59.7 18.5 16.9 84.4 25.0 82 82 A Q E < -K 79 0D 76 -3,-2.3 -3,-1.8 2,-0.0 2,-0.4 -0.827 54.9-152.3-121.0 161.8 13.7 83.8 27.0 83 83 A R E -K 78 0D 82 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.2 -0.937 15.2-174.1-136.3 109.1 11.8 85.9 29.4 84 84 A R E -K 77 0D 78 -7,-3.0 -7,-2.3 -2,-0.4 2,-0.4 -0.917 12.2-149.4-112.6 120.8 9.7 84.0 32.0 85 85 A R E -K 76 0D 112 -2,-0.5 2,-0.8 -9,-0.2 -9,-0.2 -0.689 5.0-149.9 -87.3 135.1 7.4 85.9 34.4 86 86 A I E -K 75 0D 1 -11,-3.7 2,-1.7 -2,-0.4 -11,-1.5 -0.898 10.2-147.1-105.2 103.8 6.9 84.4 37.8 87 87 A D E > -K 74 0D 39 -2,-0.8 4,-2.8 -13,-0.2 5,-0.3 -0.554 19.2-177.5 -73.7 90.2 3.4 85.3 39.0 88 88 A L H > S+ 0 0 0 -2,-1.7 4,-2.3 -15,-0.5 6,-0.4 0.879 76.5 51.6 -56.2 -45.7 4.1 85.6 42.7 89 89 A K H 4>S+ 0 0 86 -16,-2.0 5,-3.3 5,-0.2 4,-0.4 0.933 116.8 39.0 -61.1 -46.2 0.5 86.4 43.7 90 90 A R H >45S+ 0 0 137 -17,-0.3 3,-0.9 3,-0.2 -2,-0.2 0.957 120.4 42.7 -69.9 -52.1 -0.9 83.4 41.9 91 91 A L H 3<5S+ 0 0 25 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.814 115.4 48.3 -66.9 -32.3 1.8 80.8 42.6 92 92 A S T 3<5S- 0 0 24 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.465 119.8-103.7 -88.6 -1.3 2.3 81.8 46.3 93 93 A G T < 5S- 0 0 72 -3,-0.9 -3,-0.2 -4,-0.4 -4,-0.1 0.750 84.7 -37.1 87.0 24.0 -1.4 81.7 47.0 94 94 A G S - 0 0 1 113,-0.3 4,-2.3 -2,-0.3 -55,-0.2 -0.042 13.8-132.6 -50.2 142.7 13.9 101.4 49.8 102 102 A Q H > S+ 0 0 19 -57,-2.5 4,-3.1 -59,-0.5 5,-0.2 0.872 109.2 59.6 -63.5 -35.1 15.9 100.4 52.9 103 103 A T H > S+ 0 0 10 -60,-0.7 4,-2.7 -58,-0.4 -1,-0.2 0.929 106.9 45.0 -57.5 -48.3 17.0 104.0 53.2 104 104 A E H > S+ 0 0 48 2,-0.2 4,-3.7 1,-0.2 5,-0.2 0.933 113.0 50.3 -62.8 -47.5 13.4 105.2 53.4 105 105 A V H X S+ 0 0 3 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.952 112.7 46.4 -55.3 -51.6 12.5 102.5 55.9 106 106 A T H X S+ 0 0 5 -4,-3.1 4,-2.5 1,-0.2 -1,-0.2 0.928 115.0 48.1 -56.4 -46.6 15.5 103.4 58.1 107 107 A R H X S+ 0 0 93 -4,-2.7 4,-2.5 -5,-0.2 5,-0.3 0.913 109.5 51.5 -60.9 -46.9 14.5 107.1 57.8 108 108 A D H X S+ 0 0 12 -4,-3.7 4,-2.1 1,-0.2 -1,-0.2 0.923 113.1 46.4 -57.9 -43.5 10.9 106.5 58.6 109 109 A L H X S+ 0 0 2 -4,-2.6 4,-2.5 -5,-0.2 -2,-0.2 0.898 110.9 51.4 -66.0 -42.1 12.0 104.6 61.7 110 110 A M H X S+ 0 0 24 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.945 112.7 44.3 -61.5 -50.3 14.5 107.2 62.8 111 111 A E H X S+ 0 0 88 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.906 114.0 51.2 -62.3 -41.0 12.1 110.1 62.6 112 112 A A H X S+ 0 0 23 -4,-2.1 4,-1.8 -5,-0.3 -1,-0.2 0.897 111.3 47.8 -62.9 -41.2 9.4 108.0 64.3 113 113 A R H X>S+ 0 0 2 -4,-2.5 5,-1.6 2,-0.2 4,-1.1 0.898 111.6 49.5 -68.0 -41.1 11.8 107.2 67.2 114 114 A E H ><5S+ 0 0 158 -4,-2.5 3,-0.6 1,-0.2 -2,-0.2 0.939 110.3 51.4 -62.7 -45.2 12.9 110.8 67.6 115 115 A A H 3<5S+ 0 0 85 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.868 108.7 50.6 -59.1 -40.4 9.3 111.9 67.7 116 116 A C H 3<5S- 0 0 70 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.713 111.3-122.9 -71.9 -21.3 8.4 109.4 70.4 117 117 A G T <<5 + 0 0 59 -4,-1.1 -3,-0.2 -3,-0.6 -2,-0.1 0.705 52.3 159.0 87.2 20.1 11.4 110.5 72.5 118 118 A A < - 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0 0 14 -2,-0.3 -21,-0.2 -21,-0.2 -22,-0.1 -0.946 35.5-100.6-134.3 153.0 22.9 86.2 52.4 292 292 A P > - 0 0 0 0, 0.0 3,-1.1 0, 0.0 5,-0.4 -0.494 36.6-119.1 -69.8 148.9 23.7 87.2 48.9 293 293 A P G > S+ 0 0 57 0, 0.0 3,-2.2 0, 0.0 -25,-0.0 0.680 94.6 95.1 -62.4 -17.8 21.3 89.9 47.6 294 294 A T G 3 S+ 0 0 0 1,-0.3 50,-0.1 49,-0.1 49,-0.0 0.755 90.6 38.1 -45.4 -35.8 20.0 87.7 44.8 295 295 A G G < S- 0 0 0 -3,-1.1 -1,-0.3 44,-0.1 48,-0.1 0.454 101.5-128.3 -99.4 -0.4 17.1 86.5 46.9 296 296 A A S < S+ 0 0 17 -3,-2.2 4,-0.1 -4,-0.2 -2,-0.1 0.932 71.0 123.7 53.9 50.4 16.3 89.8 48.7 297 297 A K > + 0 0 5 -5,-0.4 4,-2.1 2,-0.1 5,-0.3 0.646 37.9 86.5-113.5 -21.1 16.3 88.1 52.1 298 298 A G H >> S+ 0 0 19 1,-0.2 4,-1.4 2,-0.2 3,-0.5 0.917 99.4 32.8 -46.1 -64.3 18.9 90.0 54.1 299 299 A L H 3> S+ 0 0 20 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.863 117.7 57.6 -64.5 -36.6 16.7 92.8 55.5 300 300 A N H 3> S+ 0 0 2 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.763 105.2 49.1 -67.9 -25.1 13.7 90.4 55.6 301 301 A L H S+ 0 0 20 -4,-1.9 4,-2.7 2,-0.2 5,-0.9 0.959 108.2 49.3 -66.0 -50.2 7.3 90.6 75.7 315 315 A K H X5S+ 0 0 52 -4,-1.8 6,-2.0 1,-0.2 4,-1.3 0.910 113.4 49.5 -52.8 -44.1 6.7 87.2 77.1 316 316 A A H X5S+ 0 0 11 -4,-2.2 4,-0.6 4,-0.2 6,-0.3 0.931 121.5 29.2 -63.1 -51.6 9.6 87.8 79.4 317 317 A Y H <5S+ 0 0 60 -4,-2.6 -2,-0.2 2,-0.2 -3,-0.2 0.939 129.3 36.4 -77.6 -50.5 8.7 91.2 80.7 318 318 A R H <5S+ 0 0 173 -4,-2.7 -3,-0.2 -5,-0.3 -2,-0.2 0.853 133.2 26.1 -73.0 -34.7 4.9 91.1 80.6 319 319 A E H < + 0 0 71 -6,-2.0 3,-1.2 1,-0.2 4,-0.3 -0.527 13.2 151.4-104.6 64.0 8.4 84.0 81.2 322 322 A G G > + 0 0 26 -2,-0.7 3,-1.0 -6,-0.3 -1,-0.2 0.654 58.3 74.4 -69.1 -17.6 12.1 84.7 80.6 323 323 A E G > S+ 0 0 96 1,-0.2 3,-1.5 -3,-0.2 -1,-0.2 0.721 82.2 70.9 -69.5 -18.9 13.0 81.0 80.0 324 324 A L G X S+ 0 0 23 -3,-1.2 3,-2.6 1,-0.3 -1,-0.2 0.803 79.3 75.2 -66.7 -27.3 11.4 81.2 76.6 325 325 A L G X S+ 0 0 6 -3,-1.0 3,-1.1 1,-0.3 4,-0.3 0.663 80.1 75.1 -58.5 -13.5 14.2 83.5 75.4 326 326 A E G < S+ 0 0 145 -3,-1.5 4,-0.3 1,-0.2 -1,-0.3 0.691 89.0 57.3 -72.0 -18.5 16.2 80.2 75.3 327 327 A R G <> S+ 0 0 84 -3,-2.6 4,-2.5 1,-0.2 5,-0.2 0.423 77.0 99.7 -92.3 -1.1 14.4 79.2 72.2 328 328 A Y H <> S+ 0 0 0 -3,-1.1 4,-2.8 -4,-0.2 5,-0.3 0.949 83.7 42.9 -48.4 -64.1 15.4 82.3 70.2 329 329 A S H > S+ 0 0 8 -4,-0.3 4,-3.2 1,-0.2 5,-0.2 0.904 113.9 50.4 -51.8 -51.4 18.3 80.8 68.2 330 330 A A H > S+ 0 0 46 -4,-0.3 4,-1.4 2,-0.2 -1,-0.2 0.935 114.4 44.6 -55.6 -49.1 16.4 77.5 67.4 331 331 A I H >X S+ 0 0 3 -4,-2.5 4,-1.1 1,-0.2 3,-0.6 0.973 117.3 43.3 -60.2 -57.1 13.4 79.4 66.1 332 332 A C H >X S+ 0 0 3 -4,-2.8 4,-2.6 -5,-0.2 3,-0.5 0.903 108.6 58.2 -57.4 -45.5 15.3 82.0 64.1 333 333 A L H 3X S+ 0 0 21 -4,-3.2 4,-2.8 -5,-0.3 5,-0.3 0.827 98.6 59.9 -56.8 -34.6 17.8 79.5 62.6 334 334 A R H - 0 0 96 -2,-0.6 4,-1.9 1,-0.1 5,-0.2 -0.302 29.6 -96.8 -77.4 168.0 32.7 73.2 32.8 358 358 A A H > S+ 0 0 81 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.820 121.4 52.1 -53.3 -38.7 30.2 72.2 30.0 359 359 A F H > S+ 0 0 147 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.971 108.1 49.1 -65.4 -52.5 28.1 70.0 32.3 360 360 A S H > S+ 0 0 59 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.862 110.3 53.1 -53.3 -39.6 27.6 72.6 35.0 361 361 A Q H X S+ 0 0 86 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.926 110.3 46.2 -63.2 -46.3 26.6 75.2 32.4 362 362 A R H X S+ 0 0 154 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.859 111.8 51.9 -66.0 -36.1 24.0 72.8 30.9 363 363 A I H X S+ 0 0 73 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.929 109.0 49.8 -66.7 -44.0 22.7 72.0 34.4 364 364 A Q H X S+ 0 0 26 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.929 112.4 47.9 -59.4 -45.3 22.3 75.7 35.3 365 365 A Q H X S+ 0 0 63 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.910 113.2 47.9 -61.5 -42.5 20.4 76.3 32.1 366 366 A T H X S+ 0 0 67 -4,-2.4 4,-3.0 2,-0.2 5,-0.3 0.803 103.9 60.9 -69.5 -30.6 18.2 73.3 32.7 367 367 A E H X S+ 0 0 59 -4,-2.5 4,-2.8 2,-0.2 5,-0.3 0.942 109.2 43.3 -60.5 -46.3 17.5 74.4 36.3 368 368 A L H X S+ 0 0 1 -4,-1.7 4,-3.1 2,-0.2 5,-0.4 0.960 113.8 50.3 -63.7 -51.6 16.0 77.6 34.9 369 369 A E H X S+ 0 0 77 -4,-2.2 4,-1.0 2,-0.2 -2,-0.2 0.911 116.9 41.3 -54.1 -45.6 14.1 75.8 32.2 370 370 A Y H < S+ 0 0 121 -4,-3.0 3,-0.4 2,-0.2 4,-0.4 0.979 119.5 40.7 -68.2 -57.1 12.6 73.2 34.6 371 371 A Y H >< S+ 0 0 59 -4,-2.8 3,-0.6 -5,-0.3 10,-0.2 0.873 121.8 43.0 -60.6 -38.1 11.8 75.6 37.5 372 372 A L H 3< S+ 0 0 0 -4,-3.1 -1,-0.2 -5,-0.3 -2,-0.2 0.656 116.9 49.1 -81.7 -15.7 10.5 78.3 35.2 373 373 A G T 3< S+ 0 0 56 -4,-1.0 2,-0.4 -3,-0.4 -1,-0.2 0.227 99.9 72.2-109.2 15.4 8.6 75.7 33.1 374 374 A S <> - 0 0 29 -3,-0.6 4,-3.9 -4,-0.4 5,-0.3 -0.996 68.9-140.5-133.7 133.7 6.8 73.7 35.8 375 375 A E H > S+ 0 0 108 -2,-0.4 4,-1.8 1,-0.2 -1,-0.1 0.909 111.2 44.0 -55.8 -43.4 3.8 74.8 37.9 376 376 A A H > S+ 0 0 64 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.881 115.3 49.8 -68.6 -37.5 5.4 73.0 40.9 377 377 A G H >> S+ 0 0 1 -7,-0.2 4,-1.5 2,-0.2 3,-0.5 0.967 110.2 47.9 -64.7 -53.7 8.8 74.5 40.0 378 378 A L H 3X S+ 0 0 16 -4,-3.9 4,-2.8 1,-0.2 -1,-0.2 0.868 109.3 57.3 -54.3 -37.3 7.4 78.0 39.7 379 379 A A H 3X S+ 0 0 26 -4,-1.8 4,-2.4 -5,-0.3 5,-0.3 0.879 101.4 53.0 -64.5 -38.8 5.7 77.5 43.0 380 380 A T H