==== 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 HYDROLASE 19-SEP-01 1K0L . COMPND 2 MOLECULE: P-HYDROXYBENZOATE HYDROXYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR J.WANG,M.ORTIZ-MALDONADO,B.ENTSCH,D.BALLOU,D.L.GATTI . 394 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17488.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 287 72.8 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 . 64 16.2 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 . 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 . 32 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 120 30.5 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 0 2 2 0 0 1 1 0 2 0 0 1 1 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 3 2 1 2 1 1 0 0 0 0 1 0 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 99 0, 0.0 150,-2.4 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 155.0 55.9 97.8 134.2 2 2 A K B +a 151 0A 181 148,-0.2 2,-0.3 136,-0.0 150,-0.2 -0.999 360.0 148.9-140.8 134.5 53.3 95.1 134.3 3 3 A T - 0 0 13 148,-2.5 3,-0.2 -2,-0.4 25,-0.1 -0.920 46.6-121.1-152.1 173.7 51.1 93.5 131.6 4 4 A Q S S+ 0 0 50 23,-0.3 149,-2.4 1,-0.3 150,-1.5 0.886 100.4 24.2 -89.3 -45.1 49.5 90.2 130.7 5 5 A V E S-de 28 154B 1 22,-2.0 24,-1.7 148,-0.2 2,-0.4 -0.967 70.9-153.3-126.5 117.3 51.1 89.7 127.3 6 6 A A E -de 29 155B 0 148,-2.7 150,-3.0 -2,-0.5 2,-0.5 -0.739 13.1-159.4 -86.7 134.2 54.4 91.3 126.4 7 7 A I E -de 30 156B 0 22,-3.3 24,-3.0 -2,-0.4 2,-0.7 -0.950 5.1-156.4-121.3 114.6 54.8 91.8 122.6 8 8 A I E +de 31 157B 6 148,-2.4 150,-1.9 -2,-0.5 24,-0.2 -0.795 65.5 27.8 -91.1 117.3 58.3 92.3 121.1 9 9 A G - 0 0 7 22,-3.1 23,-0.2 -2,-0.7 22,-0.1 0.287 58.6-140.0 106.5 127.8 58.0 94.2 117.8 10 10 A A + 0 0 0 4,-0.2 -1,-0.1 20,-0.1 22,-0.1 -0.289 64.8 111.7-112.8 44.9 55.6 96.7 116.4 11 11 A G S > S- 0 0 11 147,-0.5 4,-2.6 29,-0.0 5,-0.3 -0.207 93.3 -68.0 -95.6-163.0 55.4 95.4 112.8 12 12 A P H > S+ 0 0 23 0, 0.0 4,-2.5 0, 0.0 5,-0.3 0.913 134.0 49.6 -56.0 -49.0 52.2 93.8 111.3 13 13 A S H > S+ 0 0 11 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.970 116.3 39.9 -55.5 -58.2 52.4 90.7 113.6 14 14 A G H > S+ 0 0 0 144,-0.5 4,-2.4 1,-0.2 -1,-0.2 0.908 117.0 48.3 -59.7 -46.3 52.9 92.6 116.8 15 15 A L H X S+ 0 0 1 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.893 113.6 47.0 -62.7 -42.7 50.4 95.4 116.1 16 16 A L H X S+ 0 0 2 -4,-2.5 4,-2.2 -5,-0.3 5,-0.2 0.907 113.0 48.2 -68.5 -41.8 47.7 93.0 115.0 17 17 A L H X S+ 0 0 0 -4,-2.4 4,-2.6 -5,-0.3 -2,-0.2 0.929 113.7 48.4 -62.8 -45.0 48.1 90.7 118.0 18 18 A G H X S+ 0 0 0 -4,-2.4 4,-2.4 -5,-0.2 -2,-0.2 0.853 111.6 47.5 -64.8 -37.2 48.0 93.7 120.3 19 19 A Q H X S+ 0 0 9 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.888 113.1 48.9 -73.0 -37.6 44.9 95.3 118.8 20 20 A L H X S+ 0 0 2 -4,-2.2 4,-1.2 2,-0.2 -2,-0.2 0.925 114.6 45.6 -65.3 -43.0 43.1 91.9 118.9 21 21 A L H <>S+ 0 0 0 -4,-2.6 5,-2.5 1,-0.2 4,-0.4 0.888 109.3 57.3 -66.1 -38.5 44.2 91.5 122.5 22 22 A H H ><5S+ 0 0 73 -4,-2.4 3,-1.4 1,-0.2 -2,-0.2 0.941 107.6 45.7 -57.3 -50.4 43.2 95.1 123.2 23 23 A K H 3<5S+ 0 0 128 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.757 109.9 56.5 -66.9 -22.9 39.6 94.5 122.0 24 24 A A T 3<5S- 0 0 18 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.461 116.1-111.1 -88.4 -1.2 39.4 91.3 124.0 25 25 A G T < 5S+ 0 0 60 -3,-1.4 2,-0.6 -4,-0.4 -3,-0.2 0.733 71.8 138.2 80.1 20.9 40.3 93.0 127.3 26 26 A I < - 0 0 6 -5,-2.5 -1,-0.2 -6,-0.1 -2,-0.2 -0.904 55.4-122.3-105.4 117.4 43.7 91.3 127.6 27 27 A D + 0 0 98 -2,-0.6 -22,-2.0 -3,-0.1 -23,-0.3 -0.280 41.6 167.2 -57.9 134.5 46.5 93.7 128.8 28 28 A N E -d 5 0B 13 -24,-0.2 91,-0.6 -25,-0.1 2,-0.4 -0.998 24.5-161.4-153.6 151.6 49.4 94.0 126.5 29 29 A V E -df 6 119B 6 -24,-1.7 -22,-3.3 -2,-0.3 2,-0.5 -0.996 11.4-149.7-134.4 137.1 52.5 96.1 125.8 30 30 A I E -df 7 120B 0 89,-1.8 91,-3.1 -2,-0.4 2,-0.6 -0.930 5.8-161.2-110.7 127.1 54.5 96.3 122.6 31 31 A L E -df 8 121B 1 -24,-3.0 -22,-3.1 -2,-0.5 2,-0.5 -0.932 11.6-174.3-109.5 117.7 58.2 97.0 122.7 32 32 A E - 0 0 15 89,-3.1 92,-3.1 -2,-0.6 91,-0.1 -0.949 20.3-155.8-116.3 130.4 59.6 98.3 119.4 33 33 A R S S+ 0 0 142 -2,-0.5 -1,-0.1 90,-0.3 89,-0.0 0.884 77.9 51.2 -68.7 -40.9 63.3 98.9 118.8 34 34 A Q S S- 0 0 66 89,-0.1 89,-2.5 1,-0.1 90,-0.3 -0.119 93.2 -91.2 -88.4-172.7 62.9 101.5 116.0 35 35 A T > - 0 0 46 87,-0.2 4,-2.1 88,-0.1 5,-0.2 -0.595 35.2-107.7 -97.2 162.6 60.8 104.7 115.8 36 36 A P H > S+ 0 0 51 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.932 121.8 47.6 -53.8 -48.7 57.3 105.0 114.5 37 37 A D H > S+ 0 0 131 1,-0.2 4,-1.1 2,-0.2 5,-0.1 0.843 108.0 56.4 -63.5 -33.0 58.5 106.7 111.3 38 38 A Y H 4 S+ 0 0 126 2,-0.2 4,-0.4 1,-0.2 -1,-0.2 0.939 109.9 43.5 -64.9 -45.3 61.2 104.1 110.8 39 39 A V H >< S+ 0 0 7 -4,-2.1 3,-1.4 1,-0.2 -2,-0.2 0.918 115.1 49.2 -64.1 -44.0 58.7 101.2 110.8 40 40 A L H 3< S+ 0 0 55 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.700 98.9 71.4 -69.0 -18.1 56.3 103.2 108.6 41 41 A G T 3< S+ 0 0 51 -4,-1.1 2,-0.9 -5,-0.2 -1,-0.3 0.660 73.2 94.4 -72.8 -17.4 59.3 103.9 106.3 42 42 A R < - 0 0 82 -3,-1.4 2,-0.8 -4,-0.4 -1,-0.0 -0.678 69.4-152.4 -79.6 107.5 59.4 100.3 105.1 43 43 A I + 0 0 79 -2,-0.9 2,-0.4 60,-0.1 -2,-0.1 -0.734 26.1 163.9 -86.9 112.9 57.3 100.3 101.9 44 44 A R - 0 0 115 -2,-0.8 59,-1.8 1,-0.1 58,-0.3 -0.988 25.8-145.0-132.1 139.2 55.8 96.9 101.3 45 45 A A - 0 0 34 -2,-0.4 57,-2.5 56,-0.3 2,-0.2 0.205 21.7-160.2 -79.7-153.7 53.0 95.8 99.0 46 46 A G - 0 0 13 55,-0.3 54,-0.7 167,-0.3 2,-0.4 -0.758 29.6-158.8 167.3 143.5 50.5 93.1 99.9 47 47 A V E -I 99 0C 15 249,-0.4 2,-0.3 -2,-0.2 52,-0.2 -0.877 33.4-150.7-134.1 94.5 47.9 90.5 98.7 48 48 A L E -I 98 0C 0 50,-3.1 50,-2.4 -2,-0.4 249,-0.1 -0.537 4.7-134.4 -79.8 129.4 45.6 89.7 101.7 49 49 A E > - 0 0 7 -2,-0.3 4,-2.4 48,-0.2 3,-0.3 -0.337 29.8-108.5 -72.2 158.5 43.9 86.4 102.1 50 50 A Q H > S+ 0 0 43 336,-1.0 4,-2.7 46,-0.5 5,-0.2 0.909 121.0 57.1 -53.9 -43.8 40.2 86.3 103.1 51 51 A G H > S+ 0 0 19 335,-0.4 4,-2.0 1,-0.2 -1,-0.2 0.892 108.1 44.6 -56.3 -43.5 41.4 85.1 106.5 52 52 A M H > S+ 0 0 2 -3,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.885 110.8 54.2 -70.3 -37.7 43.6 88.1 107.1 53 53 A V H X S+ 0 0 1 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.935 110.2 47.4 -60.4 -44.7 41.0 90.5 105.9 54 54 A D H X S+ 0 0 80 -4,-2.7 4,-3.0 1,-0.2 -1,-0.2 0.899 110.3 52.6 -62.3 -41.8 38.5 89.0 108.4 55 55 A L H X S+ 0 0 6 -4,-2.0 4,-1.7 -5,-0.2 -1,-0.2 0.920 108.1 49.8 -61.8 -44.6 41.1 89.2 111.2 56 56 A L H <>S+ 0 0 2 -4,-2.6 5,-2.6 2,-0.2 4,-0.3 0.899 112.3 48.8 -61.2 -39.8 41.8 92.9 110.4 57 57 A R H ><5S+ 0 0 120 -4,-2.0 3,-2.4 1,-0.2 -2,-0.2 0.949 109.0 51.2 -63.8 -49.1 38.0 93.5 110.5 58 58 A E H 3<5S+ 0 0 97 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.822 106.8 56.9 -57.1 -29.2 37.7 91.6 113.8 59 59 A A T 3<5S- 0 0 2 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.591 116.4-119.6 -77.5 -10.9 40.5 93.9 115.0 60 60 A G T < 5S+ 0 0 45 -3,-2.4 2,-0.2 -4,-0.3 3,-0.2 0.679 84.8 111.4 79.7 18.5 38.4 96.9 114.1 61 61 A V < + 0 0 14 -5,-2.6 -4,-0.1 -6,-0.2 -3,-0.1 -0.515 40.5 94.3-123.7 64.4 40.9 98.2 111.6 62 62 A D > + 0 0 48 -2,-0.2 4,-2.7 -5,-0.2 5,-0.2 0.452 49.0 96.2-130.1 -7.0 39.2 97.7 108.2 63 63 A R H > S+ 0 0 156 -3,-0.2 4,-1.1 1,-0.2 5,-0.1 0.932 94.0 38.2 -53.6 -52.5 37.6 101.0 107.4 64 64 A R H > S+ 0 0 73 1,-0.2 4,-3.2 2,-0.2 5,-0.4 0.856 115.3 54.1 -69.5 -34.2 40.4 102.3 105.2 65 65 A M H > S+ 0 0 7 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.880 106.7 51.7 -65.9 -38.5 41.1 98.9 103.7 66 66 A A H < S+ 0 0 73 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.801 117.1 41.3 -67.9 -27.1 37.5 98.6 102.7 67 67 A R H < S+ 0 0 137 -4,-1.1 -2,-0.2 -5,-0.2 -1,-0.2 0.868 130.7 21.7 -88.0 -42.1 37.8 102.0 101.0 68 68 A D H < S+ 0 0 66 -4,-3.2 148,-0.3 -5,-0.1 -3,-0.2 0.580 97.1 106.5-104.4 -13.4 41.2 101.8 99.4 69 69 A G < - 0 0 18 -4,-2.3 2,-0.6 -5,-0.4 31,-0.2 -0.338 63.6-134.8 -69.1 149.4 41.7 98.0 99.1 70 70 A L E -J 99 0C 32 29,-2.1 29,-3.6 -2,-0.0 2,-0.6 -0.912 12.7-148.8-109.8 111.7 41.4 96.3 95.8 71 71 A V E -J 98 0C 90 -2,-0.6 2,-0.5 27,-0.2 27,-0.2 -0.676 13.2-162.3 -81.4 120.3 39.4 93.1 95.7 72 72 A H E -J 97 0C 11 25,-2.8 25,-1.5 -2,-0.6 126,-0.1 -0.913 18.0-176.3-109.1 124.2 40.6 90.6 93.1 73 73 A E S S+ 0 0 88 -2,-0.5 16,-2.2 23,-0.2 17,-0.3 0.523 73.2 19.8 -91.0 -8.7 38.4 87.8 92.0 74 74 A G - 0 0 1 13,-0.2 125,-0.4 14,-0.2 2,-0.3 -0.948 57.3-154.8-152.7 171.8 41.1 86.3 89.8 75 75 A V E -K 86 0D 5 11,-1.5 11,-2.9 -2,-0.3 2,-0.3 -0.970 19.6-136.1-147.5 151.8 44.9 86.1 89.1 76 76 A E E -Kl 85 200D 23 123,-2.5 125,-3.3 -2,-0.3 2,-0.4 -0.894 9.3-163.0-120.6 150.4 46.7 85.3 85.8 77 77 A I E -Kl 84 201D 7 7,-2.4 7,-2.4 -2,-0.3 2,-0.4 -0.996 14.4-158.1-126.4 124.8 49.7 83.2 84.8 78 78 A A E +Kl 83 202D 1 123,-3.1 125,-3.6 -2,-0.4 2,-0.3 -0.869 25.0 145.0-107.1 139.4 51.3 83.8 81.4 79 79 A F E > +K 82 0D 7 3,-2.0 3,-1.8 -2,-0.4 125,-0.1 -0.938 60.4 18.5-167.3 146.4 53.4 81.2 79.6 80 80 A A T 3 S- 0 0 67 123,-0.4 3,-0.1 -2,-0.3 124,-0.1 0.891 130.0 -59.1 55.2 41.7 54.0 80.2 76.0 81 81 A G T 3 S+ 0 0 53 1,-0.2 2,-0.3 -3,-0.0 -1,-0.3 0.524 115.1 106.3 68.5 7.2 52.6 83.5 74.8 82 82 A Q E < -K 79 0D 76 -3,-1.8 -3,-2.0 166,-0.1 2,-0.6 -0.893 63.9-133.9-123.8 151.8 49.2 83.0 76.4 83 83 A R E -K 78 0D 80 -2,-0.3 2,-0.6 -5,-0.2 -5,-0.2 -0.886 20.2-167.2-101.9 121.5 47.4 84.4 79.4 84 84 A R E -K 77 0D 47 -7,-2.4 -7,-2.4 -2,-0.6 2,-0.3 -0.936 8.4-152.4-113.6 115.3 45.7 81.8 81.6 85 85 A R E -K 76 0D 104 -2,-0.6 2,-0.6 -9,-0.2 -9,-0.2 -0.683 4.3-154.8 -90.6 137.3 43.2 83.2 84.2 86 86 A I E -K 75 0D 1 -11,-2.9 2,-1.7 -2,-0.3 -11,-1.5 -0.947 13.8-144.1-110.0 112.5 42.4 81.4 87.4 87 87 A D > + 0 0 41 -2,-0.6 4,-3.3 -13,-0.2 5,-0.2 -0.582 22.4 178.6 -79.3 83.8 39.0 82.4 88.7 88 88 A L H > S+ 0 0 0 -2,-1.7 4,-1.4 -15,-0.3 6,-0.4 0.911 77.0 50.5 -51.5 -51.2 39.7 82.4 92.4 89 89 A K H >>>S+ 0 0 77 -16,-2.2 5,-1.9 1,-0.2 4,-1.1 0.954 117.0 38.5 -55.0 -55.9 36.2 83.5 93.3 90 90 A R H >45S+ 0 0 136 -17,-0.3 3,-0.5 1,-0.2 -2,-0.2 0.921 116.2 52.0 -63.0 -45.4 34.4 80.8 91.3 91 91 A L H 3<5S+ 0 0 31 -4,-3.3 -1,-0.2 1,-0.2 -2,-0.2 0.641 117.7 37.7 -68.6 -14.8 37.0 78.1 92.1 92 92 A S H <<5S- 0 0 28 -4,-1.4 -1,-0.2 -3,-0.6 -2,-0.2 0.468 114.6-107.6-113.5 -7.3 36.7 78.7 95.8 93 93 A G T <<5S- 0 0 76 -4,-1.1 -3,-0.2 -3,-0.5 -4,-0.1 0.537 90.1 -25.8 92.9 6.1 33.0 79.3 96.1 94 94 A G S - 0 0 0 113,-0.8 4,-2.5 -2,-0.3 -55,-0.3 -0.130 11.9-128.0 -58.7 145.7 49.8 97.2 101.0 102 102 A Q H > S+ 0 0 33 -57,-2.5 4,-3.0 -58,-0.3 5,-0.2 0.852 111.8 59.8 -57.5 -36.2 51.5 96.1 104.3 103 103 A T H > S+ 0 0 19 -59,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.949 108.0 43.6 -58.7 -47.9 52.6 99.7 104.7 104 104 A E H > S+ 0 0 32 -60,-0.3 4,-2.9 2,-0.2 -2,-0.2 0.910 113.8 50.7 -64.1 -43.2 49.0 100.8 104.7 105 105 A V H X S+ 0 0 2 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.901 111.7 48.2 -60.9 -41.8 47.9 98.0 107.0 106 106 A T H X S+ 0 0 6 -4,-3.0 4,-2.5 2,-0.2 -1,-0.2 0.900 111.3 50.2 -66.0 -41.1 50.7 98.9 109.4 107 107 A R H X S+ 0 0 47 -4,-2.3 4,-2.4 -5,-0.2 5,-0.2 0.943 109.8 50.7 -62.0 -48.0 49.7 102.5 109.3 108 108 A D H X S+ 0 0 14 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.879 111.8 47.7 -57.7 -41.0 46.1 101.6 110.0 109 109 A L H X S+ 0 0 1 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.904 110.5 50.8 -68.2 -42.2 47.1 99.5 113.0 110 110 A M H X S+ 0 0 22 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.873 110.6 49.5 -64.1 -38.1 49.4 102.2 114.4 111 111 A E H X S+ 0 0 103 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.921 112.4 47.7 -67.1 -42.0 46.6 104.8 114.2 112 112 A A H X S+ 0 0 27 -4,-2.0 4,-2.0 -5,-0.2 -2,-0.2 0.885 115.4 44.2 -66.5 -38.9 44.1 102.5 115.9 113 113 A R H X>S+ 0 0 3 -4,-2.5 5,-1.3 2,-0.2 4,-0.7 0.915 114.2 49.9 -72.3 -40.6 46.6 101.6 118.7 114 114 A E H <5S+ 0 0 150 -4,-2.6 3,-0.5 -5,-0.2 -2,-0.2 0.900 111.5 50.0 -62.9 -40.8 47.6 105.2 119.1 115 115 A A H <5S+ 0 0 80 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.909 110.8 46.6 -66.2 -43.8 44.0 106.3 119.3 116 116 A C H <5S- 0 0 50 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.543 107.8-125.1 -78.2 -5.2 42.9 103.8 121.9 117 117 A G T <5 + 0 0 58 -4,-0.7 -3,-0.2 -3,-0.5 -4,-0.1 0.690 48.2 165.1 72.4 17.3 46.0 104.6 124.0 118 118 A A < - 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0 0 60 -2,-0.6 3,-0.8 -5,-0.1 -170,-0.1 -0.801 22.8-104.9 -98.3 141.2 66.7 78.0 87.2 354 354 A P T 3 S+ 0 0 70 0, 0.0 -1,-0.1 0, 0.0 -171,-0.0 -0.281 96.9 10.4 -65.2 146.1 70.4 77.9 86.2 355 355 A D T 3 S+ 0 0 168 1,-0.2 2,-0.4 -2,-0.0 0, 0.0 0.851 85.5 161.2 56.1 38.7 71.9 74.8 84.5 356 356 A T < - 0 0 71 -3,-0.8 -1,-0.2 1,-0.1 2,-0.0 -0.775 30.5-134.3 -93.3 133.1 68.5 73.3 83.9 357 357 A D > - 0 0 96 -2,-0.4 4,-2.2 1,-0.1 5,-0.2 -0.209 26.2 -96.4 -80.9 173.2 68.4 70.6 81.2 358 358 A A H > S+ 0 0 80 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.865 121.8 52.0 -55.6 -43.0 65.9 70.0 78.4 359 359 A F H > S+ 0 0 146 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.930 109.2 49.6 -63.1 -45.3 63.8 67.5 80.3 360 360 A S H > S+ 0 0 52 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.907 110.4 51.1 -59.5 -42.9 63.4 69.9 83.3 361 361 A Q H X S+ 0 0 67 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.908 112.7 45.6 -61.0 -43.9 62.4 72.7 81.0 362 362 A R H X S+ 0 0 164 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.880 110.2 52.9 -67.8 -39.8 59.7 70.5 79.4 363 363 A I H X S+ 0 0 78 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.917 108.5 52.0 -62.6 -41.4 58.4 69.2 82.7 364 364 A Q H X S+ 0 0 34 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.918 109.4 48.0 -61.1 -45.1 58.0 72.8 83.9 365 365 A Q H X S+ 0 0 41 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.880 112.3 50.6 -63.1 -37.0 56.0 73.8 80.8 366 366 A T H X S+ 0 0 82 -4,-2.1 4,-3.1 2,-0.2 5,-0.3 0.844 103.8 57.9 -70.4 -33.7 53.9 70.7 81.3 367 367 A E H X S+ 0 0 61 -4,-2.2 4,-2.4 1,-0.2 5,-0.3 0.940 110.0 45.1 -59.4 -47.0 53.2 71.5 84.9 368 368 A L H X S+ 0 0 1 -4,-1.8 4,-2.3 1,-0.2 5,-0.2 0.923 114.5 47.4 -63.4 -45.4 51.8 74.8 83.8 369 369 A E H X S+ 0 0 81 -4,-2.2 4,-1.3 2,-0.2 -2,-0.2 0.906 114.6 45.6 -66.0 -41.1 49.7 73.3 81.0 370 370 A Y H X S+ 0 0 124 -4,-3.1 4,-0.6 2,-0.2 7,-0.2 0.965 116.9 42.9 -66.8 -50.7 48.3 70.5 83.2 371 371 A Y H >< S+ 0 0 60 -4,-2.4 3,-0.5 -5,-0.3 -2,-0.2 0.886 119.1 42.6 -64.4 -39.7 47.4 72.6 86.2 372 372 A L H 3< S+ 0 0 10 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.700 116.8 48.8 -80.3 -18.0 45.9 75.5 84.2 373 373 A G H 3< S+ 0 0 55 -4,-1.3 2,-0.4 -5,-0.2 -1,-0.2 0.380 101.5 73.3-101.5 3.6 44.1 73.2 81.8 374 374 A S S+ 0 0 112 -2,-0.4 4,-2.1 2,-0.2 -1,-0.1 0.910 107.2 47.4 -63.4 -41.6 39.6 71.9 86.8 376 376 A A H > S+ 0 0 62 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.934 114.5 46.7 -64.6 -45.7 41.2 69.9 89.6 377 377 A G H > S+ 0 0 1 -7,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.932 111.7 50.7 -61.3 -45.3 44.6 71.5 89.0 378 378 A L H X S+ 0 0 16 -4,-3.3 4,-2.5 1,-0.2 -1,-0.2 0.868 108.9 53.3 -60.1 -36.1 43.0 74.9 88.8 379 379 A A H X S+ 0 0 33 -4,-2.1 4,-2.9 2,-0.2 5,-0.3 0.907 103.4 54.9 -66.9 -42.3 41.3 74.2 92.1 380 380 A T H X S+ 0 0 50 -4,-2.2 4,-1.3 1,-0.2 -1,-0.2 0.897 112.5 44.1 -59.4 -39.0 44.5 73.3 93.8 381 381 A I H X S+ 0 0 3 -4,-1.7 4,-3.3 2,-0.2 -2,-0.2 0.955 114.8 48.8 -68.7 -50.1 46.0 76.7 92.8 382 382 A A H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 5,-0.3 0.926 110.7 47.3 -56.8 -52.4 42.8 78.6 93.7 383 383 A E H X S+ 0 0 108 -4,-2.9 4,-0.6 1,-0.2 -1,-0.2 0.892 117.8 44.0 -61.1 -37.5 42.3 77.2 97.2 384 384 A N H < S+ 0 0 12 -4,-1.3 4,-0.3 -5,-0.3 -2,-0.2 0.919 113.2 51.1 -71.6 -43.4 46.0 77.7 98.0 385 385 A Y H < S+ 0 0 9 -4,-3.3 -2,-0.2 1,-0.2 -3,-0.2 0.906 113.2 42.5 -62.5 -45.4 46.1 81.2 96.5 386 386 A V H < S- 0 0 2 -4,-2.6 -336,-1.0 -5,-0.2 -335,-0.4 0.683 127.6-101.6 -74.4 -15.9 43.1 82.6 98.3 387 387 A G < - 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