==== 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 1PBE . COMPND 2 MOLECULE: P-HYDROXYBENZOATE HYDROXYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS FLUORESCENS; . AUTHOR H.A.SCHREUDER,W.G.J.HOL,J.DRENTH . 391 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17132.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 295 75.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 25 6.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 70 17.9 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 . 29 7.4 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 1 2 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 0 2 3 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 0 104 0, 0.0 150,-2.3 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 169.4 22.5 105.5 83.5 2 2 A K B +a 151 0A 123 148,-0.2 2,-0.3 136,-0.0 150,-0.2 -0.969 360.0 161.8-140.7 147.8 20.3 102.5 83.9 3 3 A T - 0 0 7 148,-1.8 3,-0.2 -2,-0.3 25,-0.1 -0.888 41.4-118.9-150.7-178.6 17.9 101.0 81.5 4 4 A Q S S+ 0 0 44 23,-0.4 149,-2.6 1,-0.3 150,-1.4 0.887 98.0 15.4 -90.0 -62.0 16.0 97.7 80.8 5 5 A V E -de 28 154B 0 22,-1.6 24,-1.6 148,-0.2 2,-0.5 -0.982 68.8-155.6-119.9 122.6 17.3 96.7 77.4 6 6 A A E -de 29 155B 0 148,-2.5 150,-2.6 -2,-0.5 2,-0.5 -0.845 11.2-156.7 -94.4 133.9 20.4 98.3 76.0 7 7 A I E -de 30 156B 0 22,-3.3 24,-2.9 -2,-0.5 2,-0.6 -0.976 4.7-153.6-117.1 123.9 20.6 98.2 72.2 8 8 A I E +de 31 157B 7 148,-2.0 150,-1.8 -2,-0.5 24,-0.2 -0.896 67.5 31.5 -96.4 114.9 23.9 98.4 70.3 9 9 A G - 0 0 7 22,-3.5 23,-0.2 -2,-0.6 5,-0.1 0.393 60.6-138.9 103.5 126.0 23.4 99.9 66.7 10 10 A A + 0 0 0 4,-0.2 22,-0.1 20,-0.1 -1,-0.1 -0.211 64.7 116.9-104.4 45.7 20.9 102.3 65.3 11 11 A G S > S- 0 0 9 147,-0.5 4,-2.8 29,-0.0 5,-0.3 -0.243 90.1 -76.9 -94.4-171.2 20.3 100.5 62.1 12 12 A P H > S+ 0 0 17 0, 0.0 4,-2.9 0, 0.0 5,-0.3 0.882 131.1 53.5 -58.1 -40.4 16.8 99.0 61.2 13 13 A S H > S+ 0 0 13 2,-0.2 4,-2.6 3,-0.2 5,-0.2 0.955 114.9 37.6 -58.8 -61.1 17.3 96.1 63.6 14 14 A G H > S+ 0 0 0 144,-0.5 4,-2.8 1,-0.2 -1,-0.2 0.869 118.9 49.8 -60.1 -45.4 18.1 98.2 66.7 15 15 A L H X S+ 0 0 1 -4,-2.8 4,-2.0 2,-0.2 -1,-0.2 0.877 113.7 44.5 -58.8 -50.2 15.6 100.9 65.7 16 16 A L H X S+ 0 0 4 -4,-2.9 4,-2.6 -5,-0.3 5,-0.2 0.914 115.7 46.7 -66.4 -42.1 12.7 98.5 65.1 17 17 A L H X S+ 0 0 0 -4,-2.6 4,-2.2 -5,-0.3 -2,-0.2 0.907 113.7 50.7 -61.3 -45.5 13.4 96.5 68.3 18 18 A G H X S+ 0 0 0 -4,-2.8 4,-1.8 2,-0.2 -1,-0.2 0.822 110.8 48.1 -57.5 -43.1 13.7 99.8 70.1 19 19 A Q H X S+ 0 0 4 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.937 111.6 48.0 -65.0 -51.0 10.4 101.0 68.8 20 20 A L H X S+ 0 0 3 -4,-2.6 4,-0.8 1,-0.2 -2,-0.2 0.865 114.7 46.8 -58.7 -41.7 8.5 97.9 69.6 21 21 A L H <>S+ 0 0 0 -4,-2.2 5,-3.0 -5,-0.2 3,-0.3 0.867 110.7 50.9 -69.8 -40.3 9.9 97.8 73.1 22 22 A H H ><5S+ 0 0 53 -4,-1.8 3,-1.9 1,-0.2 -2,-0.2 0.971 110.1 49.4 -61.9 -53.9 9.2 101.5 73.8 23 23 A K H 3<5S+ 0 0 119 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.634 110.2 52.9 -56.0 -28.0 5.6 101.1 72.7 24 24 A A T 3<5S- 0 0 36 -4,-0.8 -1,-0.3 -3,-0.3 -2,-0.2 0.305 122.4-105.1 -89.0 -2.1 5.3 98.0 75.0 25 25 A G T < 5S+ 0 0 53 -3,-1.9 2,-0.7 -4,-0.2 -3,-0.2 0.645 78.8 129.5 87.8 14.2 6.6 99.9 78.0 26 26 A I < - 0 0 4 -5,-3.0 -1,-0.2 -6,-0.1 -2,-0.2 -0.893 55.4-133.1-104.7 116.7 10.1 98.5 78.2 27 27 A D + 0 0 87 -2,-0.7 -22,-1.6 -3,-0.1 -23,-0.4 -0.408 31.9 172.5 -69.6 147.9 12.7 101.2 78.4 28 28 A N E -d 5 0B 5 -24,-0.2 91,-0.6 -25,-0.1 2,-0.4 -0.963 22.3-149.1-151.3 149.7 15.6 100.7 76.1 29 29 A V E -df 6 119B 4 -24,-1.6 -22,-3.3 -2,-0.3 2,-0.5 -0.985 13.6-145.6-121.9 137.6 18.6 102.9 75.2 30 30 A I E -df 7 120B 0 89,-1.8 91,-3.0 -2,-0.4 2,-0.5 -0.913 8.7-163.2-106.1 130.8 20.2 102.7 71.7 31 31 A L E -df 8 121B 1 -24,-2.9 -22,-3.5 -2,-0.5 2,-0.4 -0.959 10.4-176.3-112.1 114.9 24.0 103.2 71.3 32 32 A E - 0 0 10 89,-3.0 92,-3.1 -2,-0.5 -24,-0.0 -0.974 23.1-151.9-118.1 133.7 25.2 104.0 67.8 33 33 A R S S+ 0 0 147 -2,-0.4 -1,-0.1 90,-0.3 2,-0.1 0.837 79.3 45.7 -67.1 -36.6 28.9 104.3 66.8 34 34 A Q S S- 0 0 38 89,-0.1 89,-1.9 1,-0.1 90,-0.3 -0.286 92.0 -86.8-100.0-175.5 28.2 106.7 63.9 35 35 A T > - 0 0 36 87,-0.2 4,-2.2 88,-0.1 3,-0.4 -0.585 38.2-107.9 -90.1 161.7 26.1 109.8 63.2 36 36 A P H > S+ 0 0 43 0, 0.0 4,-1.7 0, 0.0 5,-0.1 0.823 119.1 48.2 -56.1 -37.1 22.5 109.8 62.1 37 37 A D H > S+ 0 0 126 2,-0.2 4,-0.8 1,-0.2 -3,-0.0 0.852 106.4 56.4 -78.9 -27.6 23.4 111.0 58.6 38 38 A Y H >4 S+ 0 0 133 -3,-0.4 3,-0.8 2,-0.2 4,-0.3 0.950 110.2 46.3 -60.4 -48.4 26.1 108.4 58.2 39 39 A V H >< S+ 0 0 5 -4,-2.2 3,-1.6 1,-0.2 -2,-0.2 0.924 111.7 51.6 -54.4 -47.6 23.5 105.7 58.9 40 40 A L H 3< S+ 0 0 48 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.636 96.4 69.8 -70.0 -13.4 21.0 107.4 56.5 41 41 A G T << S+ 0 0 51 -3,-0.8 2,-0.5 -4,-0.8 -1,-0.3 0.618 74.2 101.4 -82.8 -10.6 23.6 107.4 53.7 42 42 A R < - 0 0 54 -3,-1.6 61,-0.1 -4,-0.3 -4,-0.0 -0.691 51.8-169.5 -81.1 127.4 23.4 103.6 53.3 43 43 A I + 0 0 25 -2,-0.5 60,-0.6 1,-0.1 59,-0.6 0.965 37.4 128.9 -76.4 -59.4 21.3 102.6 50.3 44 44 A R + 0 0 122 58,-0.1 -1,-0.1 57,-0.1 57,-0.0 -0.062 48.7 42.0 47.8-127.6 21.0 98.8 50.8 45 45 A A + 0 0 23 1,-0.1 57,-2.8 56,-0.1 58,-0.3 -0.151 36.0 166.4 -62.1 140.5 17.6 97.1 50.8 46 46 A G + 0 0 8 55,-0.2 54,-1.8 1,-0.2 2,-0.5 0.563 62.1 69.7-118.5 -26.7 14.7 97.7 48.4 47 47 A V E -I 99 0C 13 52,-0.2 2,-0.4 50,-0.0 253,-0.2 -0.903 53.5-175.5-116.1 124.6 12.4 94.7 49.1 48 48 A L E -I 98 0C 0 50,-2.8 50,-3.2 -2,-0.5 2,-0.1 -0.908 20.1-133.6-113.2 138.4 10.4 94.0 52.2 49 49 A E E >> -I 97 0C 5 -2,-0.4 4,-1.9 48,-0.2 3,-0.7 -0.431 33.5-103.8 -81.9 156.0 8.4 90.8 52.9 50 50 A Q H 3> S+ 0 0 59 46,-0.6 4,-2.3 336,-0.6 5,-0.1 0.767 117.9 60.9 -53.9 -33.2 4.9 91.1 54.3 51 51 A G H 3> S+ 0 0 23 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.873 107.3 43.8 -63.4 -42.6 6.0 90.1 57.8 52 52 A M H <> S+ 0 0 3 -3,-0.7 4,-2.1 2,-0.2 -2,-0.2 0.860 111.1 56.2 -69.9 -35.3 8.3 93.1 58.1 53 53 A V H X S+ 0 0 18 -4,-1.9 4,-1.5 1,-0.2 -2,-0.2 0.954 110.7 44.7 -60.2 -46.5 5.5 95.2 56.5 54 54 A D H X S+ 0 0 55 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.843 109.9 54.4 -67.5 -37.0 3.3 94.0 59.4 55 55 A L H X S+ 0 0 3 -4,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.848 106.4 51.7 -66.4 -41.1 6.0 94.6 62.0 56 56 A L H <>S+ 0 0 3 -4,-2.1 5,-2.8 2,-0.2 -1,-0.2 0.847 110.2 49.3 -62.1 -41.3 6.4 98.3 60.9 57 57 A R H ><5S+ 0 0 146 -4,-1.5 3,-1.7 3,-0.2 5,-0.2 0.943 110.1 51.8 -60.1 -49.7 2.6 98.7 61.2 58 58 A E H 3<5S+ 0 0 86 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.824 107.2 50.7 -60.5 -33.1 2.8 97.2 64.7 59 59 A A T 3<5S- 0 0 1 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.479 117.7-120.8 -82.8 -0.3 5.6 99.6 65.7 60 60 A G T < 5S+ 0 0 52 -3,-1.7 3,-0.2 -5,-0.2 -3,-0.2 0.700 81.9 115.9 65.7 30.6 3.1 102.2 64.4 61 61 A V < + 0 0 15 -5,-2.8 -4,-0.2 1,-0.2 4,-0.2 -0.441 38.8 98.0-118.4 52.9 5.6 103.5 61.8 62 62 A D > + 0 0 42 -5,-0.2 4,-3.4 -2,-0.2 5,-0.2 0.386 43.6 101.0-123.8 7.2 3.8 102.7 58.5 63 63 A R H > S+ 0 0 161 -3,-0.2 4,-1.9 2,-0.2 5,-0.1 0.974 93.3 35.6 -50.7 -69.3 2.1 105.8 57.4 64 64 A R H > S+ 0 0 50 1,-0.2 4,-3.5 2,-0.2 5,-0.3 0.838 117.0 53.7 -52.5 -45.4 4.7 106.8 54.8 65 65 A M H > S+ 0 0 10 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.943 107.8 50.9 -60.2 -46.2 5.3 103.2 53.8 66 66 A A H < S+ 0 0 79 -4,-3.4 -2,-0.2 1,-0.2 -1,-0.2 0.873 119.4 38.1 -59.7 -34.5 1.6 102.7 53.2 67 67 A R H < S+ 0 0 130 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.936 129.1 26.9 -78.0 -48.8 1.6 105.8 51.0 68 68 A D H < S+ 0 0 73 -4,-3.5 -3,-0.2 -5,-0.1 -2,-0.2 0.619 93.9 93.3 -95.6 -21.6 4.9 105.5 49.2 69 69 A G < - 0 0 17 -4,-2.8 2,-0.5 -5,-0.3 31,-0.2 -0.401 68.3-129.6 -75.8 155.3 5.9 101.8 49.0 70 70 A L E -J 99 0C 53 29,-1.7 29,-3.3 -2,-0.1 2,-0.5 -0.923 10.6-138.0-110.0 130.3 5.0 99.9 45.9 71 71 A V E -J 98 0C 92 -2,-0.5 2,-0.5 27,-0.2 27,-0.2 -0.741 20.2-163.7 -91.1 126.9 3.2 96.5 46.1 72 72 A H E -J 97 0C 8 25,-2.4 25,-1.6 -2,-0.5 3,-0.1 -0.943 18.8-177.4-116.3 126.8 4.6 93.9 43.6 73 73 A E S S+ 0 0 86 -2,-0.5 16,-1.5 23,-0.2 15,-1.2 0.307 70.8 23.2-102.5 3.0 2.8 90.8 42.7 74 74 A G E -K 87 0D 0 13,-0.3 125,-0.5 14,-0.2 2,-0.3 -0.980 54.8-158.3-159.4 165.7 5.5 89.3 40.4 75 75 A V E -K 86 0D 3 11,-1.4 11,-3.2 -2,-0.3 2,-0.4 -0.832 20.7-133.1-141.4 160.3 9.2 89.3 39.5 76 76 A E E -Kl 85 200D 26 123,-1.8 125,-3.2 -2,-0.3 2,-0.4 -0.951 9.2-162.1-122.2 146.6 10.9 88.3 36.3 77 77 A I E -Kl 84 201D 9 7,-2.6 7,-3.3 -2,-0.4 2,-0.5 -0.996 8.5-164.4-121.7 128.9 13.9 86.1 35.6 78 78 A A E +Kl 83 202D 6 123,-2.9 125,-3.0 -2,-0.4 2,-0.4 -0.955 14.0 173.3-115.6 125.7 15.6 86.5 32.1 79 79 A F E > -Kl 82 203D 15 3,-1.6 3,-2.4 -2,-0.5 125,-0.1 -0.994 56.7 -41.5-140.4 135.3 17.9 83.7 31.1 80 80 A A T 3 S- 0 0 66 123,-0.8 2,-0.3 -2,-0.4 -1,-0.1 0.547 131.1 -5.8 10.5 91.2 19.6 83.1 27.8 81 81 A G T 3 S+ 0 0 84 1,-0.1 -1,-0.3 -3,-0.0 2,-0.2 -0.411 119.1 66.0 105.6 -53.2 16.9 83.9 25.4 82 82 A Q E < -K 79 0D 110 -3,-2.4 -3,-1.6 -2,-0.3 2,-0.5 -0.591 57.2-139.7-118.0 173.0 13.8 84.5 27.4 83 83 A R E -K 78 0D 66 -5,-0.2 2,-0.5 -2,-0.2 -5,-0.2 -0.976 26.1-171.9-123.4 112.2 11.9 86.6 30.0 84 84 A R E -K 77 0D 79 -7,-3.3 -7,-2.6 -2,-0.5 2,-0.4 -0.930 10.0-150.6-113.4 129.3 9.9 84.7 32.5 85 85 A R E -K 76 0D 98 -2,-0.5 2,-0.7 -9,-0.2 -9,-0.3 -0.665 2.4-153.5 -96.2 135.2 7.5 86.1 35.1 86 86 A I E -K 75 0D 0 -11,-3.2 -11,-1.4 -2,-0.4 2,-1.2 -0.947 13.5-144.7-104.4 116.7 6.8 84.5 38.5 87 87 A D E > -K 74 0D 39 -2,-0.7 4,-2.3 -13,-0.2 -13,-0.3 -0.769 22.0-178.6 -80.7 98.0 3.3 85.4 39.6 88 88 A L H > S+ 0 0 0 -2,-1.2 4,-3.2 -15,-1.2 7,-0.4 0.889 74.4 54.0 -64.2 -49.4 4.1 85.7 43.4 89 89 A K H 4>S+ 0 0 88 -16,-1.5 5,-4.2 2,-0.2 6,-0.4 0.911 116.6 36.5 -52.1 -53.5 0.6 86.5 44.5 90 90 A R H 45S+ 0 0 146 -17,-0.3 3,-0.5 3,-0.2 -2,-0.2 0.882 120.3 47.0 -74.5 -35.2 -1.0 83.5 42.8 91 91 A L H <5S+ 0 0 25 -4,-2.3 -2,-0.2 1,-0.2 292,-0.2 0.754 113.4 47.5 -76.8 -29.5 1.8 81.1 43.5 92 92 A S T <5S- 0 0 21 -4,-3.2 -1,-0.2 3,-0.3 -2,-0.2 0.485 121.0-102.4 -91.2 3.8 2.3 82.0 47.1 93 93 A G T 5S- 0 0 74 -3,-0.5 -3,-0.2 -4,-0.4 -4,-0.1 0.842 88.8 -33.0 80.1 34.0 -1.5 81.8 47.9 94 94 A G S > - 0 0 1 113,-0.3 4,-2.3 -2,-0.3 3,-0.7 -0.173 13.7-129.9 -58.4 146.5 14.0 101.7 50.5 102 102 A Q H 3> S+ 0 0 17 -57,-2.8 4,-2.9 -59,-0.6 5,-0.1 0.876 112.2 55.4 -59.7 -42.3 16.0 100.7 53.6 103 103 A T H 3> S+ 0 0 27 -60,-0.6 4,-2.1 -58,-0.3 -1,-0.3 0.782 108.2 48.3 -57.1 -41.7 17.0 104.4 54.0 104 104 A E H <> S+ 0 0 46 -3,-0.7 4,-2.5 2,-0.2 -2,-0.2 0.870 111.7 48.3 -67.6 -47.3 13.3 105.3 54.0 105 105 A V H X S+ 0 0 1 -4,-2.3 4,-1.5 1,-0.2 -2,-0.2 0.868 113.1 49.4 -59.7 -45.2 12.5 102.6 56.6 106 106 A T H X S+ 0 0 4 -4,-2.9 4,-2.6 2,-0.2 3,-0.3 0.912 110.3 49.2 -61.3 -50.7 15.4 103.9 58.7 107 107 A R H X S+ 0 0 54 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.890 110.4 51.3 -52.6 -49.9 14.3 107.6 58.5 108 108 A D H X S+ 0 0 14 -4,-2.5 4,-1.6 2,-0.2 -1,-0.2 0.825 112.7 45.0 -57.0 -43.2 10.8 106.7 59.5 109 109 A L H X S+ 0 0 1 -4,-1.5 4,-2.5 -3,-0.3 -2,-0.2 0.882 111.2 52.8 -71.1 -41.5 12.0 104.7 62.6 110 110 A M H X S+ 0 0 30 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.861 112.2 46.8 -62.3 -37.1 14.5 107.5 63.6 111 111 A E H X S+ 0 0 106 -4,-1.9 4,-2.7 2,-0.2 -1,-0.2 0.898 111.0 49.4 -69.4 -47.1 11.6 110.0 63.4 112 112 A A H X S+ 0 0 21 -4,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.919 114.0 47.3 -58.1 -46.8 9.2 107.9 65.4 113 113 A R H X>S+ 0 0 3 -4,-2.5 5,-1.2 2,-0.2 4,-1.1 0.919 110.9 50.1 -62.6 -49.8 11.9 107.4 68.1 114 114 A E H ><5S+ 0 0 152 -4,-2.3 3,-0.9 1,-0.2 -2,-0.2 0.944 110.7 51.3 -54.5 -47.7 12.8 111.1 68.2 115 115 A A H 3<5S+ 0 0 85 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.910 109.4 48.6 -57.0 -50.1 9.2 112.0 68.7 116 116 A C H 3<5S- 0 0 62 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.614 106.4-130.1 -63.5 -22.7 8.7 109.5 71.5 117 117 A G T <<5 + 0 0 59 -4,-1.1 -3,-0.2 -3,-0.9 -2,-0.1 0.616 48.0 159.6 73.1 26.3 11.8 110.8 73.2 118 118 A A < - 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0 0 100 -2,-0.5 4,-1.8 1,-0.1 5,-0.2 -0.193 30.0 -97.3 -72.3 172.2 32.9 73.2 33.5 358 358 A A H > S+ 0 0 78 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.855 122.0 53.9 -58.0 -43.4 30.4 72.5 30.7 359 359 A F H > S+ 0 0 143 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.943 108.6 46.8 -54.6 -60.8 28.3 70.1 32.8 360 360 A S H > S+ 0 0 46 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.849 112.1 52.9 -54.2 -38.2 27.8 72.6 35.7 361 361 A Q H X S+ 0 0 112 -4,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.927 110.6 46.3 -62.3 -51.0 26.9 75.3 33.1 362 362 A R H X S+ 0 0 173 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.857 110.8 51.3 -62.5 -42.2 24.3 73.1 31.6 363 363 A I H X S+ 0 0 78 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.849 107.0 56.1 -61.9 -36.8 22.8 72.1 34.9 364 364 A Q H X S+ 0 0 39 -4,-1.8 4,-1.7 1,-0.2 -2,-0.2 0.937 109.8 45.2 -58.0 -46.9 22.6 75.9 35.8 365 365 A Q H X S+ 0 0 71 -4,-2.0 4,-2.6 1,-0.2 -1,-0.2 0.912 112.7 50.7 -60.5 -47.5 20.5 76.4 32.6 366 366 A T H X S+ 0 0 71 -4,-2.1 4,-3.7 2,-0.2 5,-0.2 0.852 104.2 56.5 -62.7 -41.4 18.3 73.3 33.4 367 367 A E H X S+ 0 0 57 -4,-2.5 4,-3.3 2,-0.2 5,-0.3 0.963 111.8 44.7 -56.8 -47.7 17.6 74.4 36.9 368 368 A L H X S+ 0 0 5 -4,-1.7 4,-2.9 1,-0.2 5,-0.2 0.951 115.6 46.3 -60.6 -49.8 16.2 77.7 35.5 369 369 A E H < S+ 0 0 98 -4,-2.6 4,-0.4 2,-0.2 -1,-0.2 0.850 117.3 44.5 -60.3 -39.1 14.3 75.9 32.7 370 370 A Y H >X S+ 0 0 123 -4,-3.7 4,-1.5 1,-0.2 3,-0.6 0.924 117.5 41.4 -69.2 -56.2 13.0 73.4 35.2 371 371 A Y H 3< S+ 0 0 58 -4,-3.3 10,-0.2 1,-0.2 -2,-0.2 0.742 117.8 46.7 -64.5 -33.3 12.0 75.8 38.0 372 372 A L T 3< S+ 0 0 4 -4,-2.9 -1,-0.2 -5,-0.3 -2,-0.2 0.528 116.5 48.4 -82.8 -11.8 10.6 78.4 35.6 373 373 A G T <4 S+ 0 0 52 -3,-0.6 2,-0.3 -4,-0.4 -2,-0.2 0.688 96.7 69.6 -98.1 -28.1 8.7 75.7 33.8 374 374 A S X - 0 0 27 -4,-1.5 4,-2.4 1,-0.1 5,-0.1 -0.837 69.2-137.9-103.8 143.2 6.9 73.6 36.4 375 375 A E H > S+ 0 0 108 -2,-0.3 4,-1.9 2,-0.2 -1,-0.1 0.805 110.5 47.8 -62.7 -34.8 3.9 74.8 38.5 376 376 A A H > S+ 0 0 62 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.921 112.3 47.5 -70.4 -46.9 5.6 73.1 41.5 377 377 A G H > S+ 0 0 1 2,-0.2 4,-1.3 -7,-0.2 3,-0.3 0.910 111.7 50.7 -60.5 -43.3 9.0 74.6 40.8 378 378 A L H X S+ 0 0 24 -4,-2.4 4,-2.7 1,-0.2 3,-0.3 0.895 107.7 54.2 -61.7 -43.3 7.4 78.1 40.4 379 379 A A H X S+ 0 0 30 -4,-1.9 4,-2.7 1,-0.2 5,-0.3 0.805 103.3 56.2 -60.1 -33.1 5.7 77.7 43.7 380 380 A T H X S+ 0 0 56 -4,-1.6 4,-1.0 -3,-0.3 -1,-0.2 0.840 111.5 43.4 -69.5 -37.5 9.0 76.9 45.4 381 381 A I H X S+ 0 0 6 -4,-1.3 4,-2.7 -3,-0.3 3,-0.3 0.956 114.3 50.1 -69.2 -55.2 10.4 80.1 44.2 382 382 A A H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 5,-0.2 0.849 110.1 47.4 -52.6 -49.9 7.2 82.1 45.0 383 383 A E H X S+ 0 0 97 -4,-2.7 4,-0.8 1,-0.2 -1,-0.2 0.825 116.5 45.4 -67.8 -30.4 6.8 80.9 48.7 384 384 A N H < S+ 0 0 14 -4,-1.0 4,-0.3 -3,-0.3 -2,-0.2 0.901 112.3 50.9 -75.8 -44.0 10.5 81.5 49.4 385 385 A Y H < S+ 0 0 3 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.900 111.2 46.0 -62.3 -46.8 10.5 84.9 47.8 386 386 A V H < S- 0 0 3 -4,-2.2 -336,-0.6 -5,-0.1 -1,-0.2 0.747 125.6-101.2 -66.2 -29.3 7.4 86.3 49.6 387 387 A G < - 0 0 3 -4,-0.8 -1,-0.1 -5,-0.2 -2,-0.1 0.136 28.7 -98.7 109.3 136.4 8.9 84.9 52.8 388 388 A L - 0 0 40 -4,-0.3 -4,-0.1 1,-0.2 -49,-0.0 -0.446 57.5 -77.5 -80.2 153.2 8.1 81.8 54.8 389 389 A P - 0 0 95 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.056 45.7-113.4 -45.6 150.6 5.8 82.0 57.8 390 390 A Y 0 0 70 1,-0.1 -86,-0.0 -3,-0.1 -3,-0.0 -0.738 360.0 360.0 -88.8 145.8 7.2 83.4 61.1 391 391 A E 0 0 118 -2,-0.3 -1,-0.1 -60,-0.1 -59,-0.1 0.735 360.0 360.0 -92.6 360.0 7.3 80.9 63.9