==== 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 27-SEP-94 1PXC . COMPND 2 MOLECULE: P-HYDROXYBENZOATE HYDROXYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR M.S.LAH,B.A.PALFEY,H.A.SCHREUDER,M.L.LUDWIG . 394 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17590.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 290 73.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 25 6.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 71 18.0 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 . 28 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 119 30.2 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 0 1 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 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 0 109 0, 0.0 150,-3.2 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 148.6 22.9 106.0 83.6 2 2 A K B +a 151 0A 131 148,-0.2 2,-0.3 136,-0.0 150,-0.2 -0.983 360.0 153.3-134.6 142.7 20.3 103.1 84.0 3 3 A T - 0 0 12 148,-2.0 150,-0.2 -2,-0.3 3,-0.2 -0.900 43.6-120.2-148.3 179.4 17.8 101.6 81.5 4 4 A Q S S+ 0 0 48 23,-0.4 149,-2.3 1,-0.3 150,-1.7 0.889 97.6 21.1 -91.6 -53.7 16.0 98.3 80.9 5 5 A V E -de 28 154B 1 22,-1.8 24,-1.6 148,-0.2 2,-0.5 -0.950 68.0-157.1-117.2 117.7 17.3 97.3 77.4 6 6 A A E -de 29 155B 0 148,-2.6 150,-3.1 -2,-0.5 2,-0.5 -0.807 11.7-160.4 -91.0 131.0 20.5 98.7 76.0 7 7 A I E -de 30 156B 0 22,-3.0 24,-2.8 -2,-0.5 2,-0.8 -0.947 5.9-153.0-114.0 118.7 20.6 98.6 72.1 8 8 A I E +de 31 157B 8 148,-2.8 150,-2.1 -2,-0.5 24,-0.2 -0.860 67.1 34.0 -92.6 112.8 23.9 98.8 70.3 9 9 A G - 0 0 6 22,-2.8 23,-0.2 -2,-0.8 150,-0.1 0.322 56.6-145.6 114.4 118.2 23.3 100.2 66.9 10 10 A A + 0 0 0 4,-0.2 -1,-0.1 20,-0.1 22,-0.1 -0.215 63.4 110.0-103.2 43.1 20.9 102.7 65.3 11 11 A G S > S- 0 0 13 147,-0.5 4,-2.3 29,-0.0 5,-0.3 -0.380 95.9 -68.2 -93.9-166.0 20.4 101.1 61.9 12 12 A P H > S+ 0 0 18 0, 0.0 4,-2.3 0, 0.0 5,-0.3 0.873 132.4 51.7 -58.0 -36.3 17.0 99.5 61.1 13 13 A S H > S+ 0 0 17 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.956 113.7 41.4 -65.4 -51.4 17.3 96.6 63.6 14 14 A G H > S+ 0 0 0 144,-0.5 4,-2.2 2,-0.2 -1,-0.2 0.921 117.7 47.6 -65.3 -41.1 18.1 98.7 66.6 15 15 A L H X S+ 0 0 1 -4,-2.3 4,-2.3 2,-0.2 5,-0.2 0.938 112.8 47.0 -66.5 -44.2 15.6 101.5 65.8 16 16 A L H X S+ 0 0 5 -4,-2.3 4,-2.3 -5,-0.3 5,-0.2 0.934 114.4 47.6 -65.0 -40.9 12.7 99.0 65.1 17 17 A L H X S+ 0 0 0 -4,-2.1 4,-2.6 -5,-0.3 5,-0.2 0.953 112.4 50.6 -61.8 -44.2 13.4 97.1 68.3 18 18 A G H X S+ 0 0 0 -4,-2.2 4,-2.3 -5,-0.2 -2,-0.2 0.885 111.2 47.4 -58.4 -42.4 13.6 100.3 70.2 19 19 A Q H X S+ 0 0 12 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.928 111.9 48.7 -69.6 -44.8 10.3 101.6 68.9 20 20 A L H X S+ 0 0 1 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.956 115.1 45.9 -55.6 -51.5 8.4 98.4 69.6 21 21 A L H <>S+ 0 0 0 -4,-2.6 5,-2.4 -5,-0.2 4,-0.3 0.895 111.1 51.3 -62.3 -42.1 9.8 98.3 73.1 22 22 A H H ><5S+ 0 0 58 -4,-2.3 3,-1.9 -5,-0.2 -1,-0.2 0.957 107.6 53.4 -61.1 -47.1 9.1 101.9 73.8 23 23 A K H 3<5S+ 0 0 126 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.804 107.9 50.6 -59.9 -33.0 5.5 101.5 72.7 24 24 A A T 3<5S- 0 0 36 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.401 123.5-102.3 -85.0 5.4 5.0 98.5 75.1 25 25 A G T < 5S+ 0 0 55 -3,-1.9 2,-0.8 -4,-0.3 -3,-0.2 0.585 78.5 133.6 91.3 12.1 6.4 100.5 78.0 26 26 A I < - 0 0 7 -5,-2.4 -1,-0.2 -6,-0.2 -2,-0.1 -0.800 52.9-131.6-102.2 107.8 9.9 99.0 78.2 27 27 A D + 0 0 89 -2,-0.8 -22,-1.8 -3,-0.1 -23,-0.4 -0.324 32.6 171.3 -63.3 142.2 12.6 101.6 78.5 28 28 A N E -d 5 0B 7 -24,-0.2 91,-0.5 -25,-0.1 2,-0.4 -0.995 24.5-151.2-154.5 146.0 15.6 101.4 76.2 29 29 A V E -df 6 119B 5 -24,-1.6 -22,-3.0 -2,-0.3 2,-0.5 -0.973 14.0-149.9-118.5 134.8 18.7 103.4 75.2 30 30 A I E -df 7 120B 0 89,-2.0 91,-2.9 -2,-0.4 2,-0.5 -0.911 6.7-161.5-103.4 131.0 20.3 103.2 71.7 31 31 A L E -df 8 121B 1 -24,-2.8 -22,-2.8 -2,-0.5 2,-0.4 -0.947 11.0-176.9-108.3 121.7 24.1 103.7 71.4 32 32 A E - 0 0 17 89,-2.7 92,-2.3 -2,-0.5 91,-0.2 -0.974 23.5-152.4-119.1 132.8 25.4 104.5 67.8 33 33 A R S S+ 0 0 137 -2,-0.4 -1,-0.1 90,-0.2 89,-0.1 0.865 79.3 51.9 -64.7 -40.2 29.1 105.0 66.7 34 34 A Q S S- 0 0 67 1,-0.1 89,-1.8 89,-0.1 90,-0.3 -0.175 90.5 -92.0 -90.7-177.0 28.3 107.3 63.8 35 35 A T > - 0 0 37 87,-0.2 4,-2.0 1,-0.1 5,-0.3 -0.567 36.5-108.8 -89.0 160.5 26.3 110.4 63.2 36 36 A P H > S+ 0 0 42 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.959 120.6 52.4 -49.1 -47.1 22.5 110.6 62.0 37 37 A D H > S+ 0 0 128 1,-0.2 4,-1.1 2,-0.2 -3,-0.0 0.919 106.1 51.4 -62.4 -42.9 23.7 111.8 58.6 38 38 A Y H >> S+ 0 0 132 1,-0.2 3,-1.0 2,-0.2 4,-0.6 0.948 110.3 49.8 -63.3 -42.8 26.2 108.9 58.1 39 39 A V H >< S+ 0 0 7 -4,-2.0 3,-0.9 1,-0.3 -1,-0.2 0.905 110.4 51.2 -63.4 -33.3 23.5 106.3 58.9 40 40 A L H 3< S+ 0 0 47 -4,-2.0 -1,-0.3 -5,-0.3 -2,-0.2 0.697 96.6 67.7 -81.9 -13.4 21.2 107.9 56.4 41 41 A G H << S+ 0 0 48 -4,-1.1 2,-0.4 -3,-1.0 -1,-0.2 0.707 76.2 100.0 -73.9 -19.4 23.7 107.9 53.6 42 42 A R << - 0 0 70 -3,-0.9 61,-0.0 -4,-0.6 -3,-0.0 -0.526 52.2-172.8 -72.7 120.1 23.6 104.1 53.3 43 43 A I + 0 0 25 -2,-0.4 60,-0.7 59,-0.1 59,-0.5 0.971 33.4 130.9 -80.0 -52.8 21.3 103.1 50.4 44 44 A R + 0 0 121 58,-0.1 -1,-0.1 57,-0.1 59,-0.0 0.034 47.1 41.4 40.6-127.2 21.1 99.4 50.7 45 45 A A + 0 0 26 1,-0.1 57,-2.6 56,-0.1 58,-0.3 0.007 36.4 166.9 -55.1 143.7 17.7 97.5 50.7 46 46 A G + 0 0 10 55,-0.2 54,-2.0 1,-0.1 2,-0.5 0.578 58.3 75.4-122.0 -22.9 14.7 98.1 48.5 47 47 A V E -I 99 0C 15 52,-0.2 2,-0.4 50,-0.0 52,-0.2 -0.805 54.6-171.8-106.9 119.3 12.5 95.1 49.0 48 48 A L E -I 98 0C 0 50,-3.0 50,-2.9 -2,-0.5 2,-0.1 -0.892 18.0-133.3-107.5 132.1 10.3 94.5 52.1 49 49 A E E > -I 97 0C 4 -2,-0.4 4,-2.2 48,-0.2 3,-0.4 -0.422 28.9-111.8 -68.5 158.2 8.4 91.4 53.0 50 50 A Q H > S+ 0 0 63 336,-0.6 4,-3.0 46,-0.5 5,-0.2 0.910 119.7 60.0 -60.8 -38.1 4.7 91.7 54.2 51 51 A G H > S+ 0 0 22 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.893 106.7 45.5 -53.7 -39.5 5.9 90.5 57.7 52 52 A M H > S+ 0 0 2 -3,-0.4 4,-1.9 2,-0.2 -1,-0.2 0.893 110.0 53.4 -72.3 -43.1 8.2 93.5 57.7 53 53 A V H X S+ 0 0 18 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.928 109.8 49.9 -58.3 -40.7 5.4 95.8 56.5 54 54 A D H X S+ 0 0 61 -4,-3.0 4,-2.7 1,-0.2 -2,-0.2 0.856 107.3 53.5 -69.2 -30.7 3.2 94.5 59.4 55 55 A L H X S+ 0 0 4 -4,-1.5 4,-2.2 2,-0.2 -1,-0.2 0.900 107.0 50.7 -71.5 -39.1 5.9 95.1 62.0 56 56 A L H <>S+ 0 0 5 -4,-1.9 5,-2.4 2,-0.2 -1,-0.2 0.879 111.6 49.0 -63.5 -37.5 6.3 98.8 61.0 57 57 A R H ><5S+ 0 0 135 -4,-1.6 3,-2.0 3,-0.2 -2,-0.2 0.962 109.5 51.9 -67.9 -44.0 2.5 99.2 61.3 58 58 A E H 3<5S+ 0 0 65 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.862 109.8 49.4 -56.5 -36.4 2.7 97.5 64.8 59 59 A A T 3<5S- 0 0 1 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.433 116.7-119.3 -83.0 0.7 5.4 100.0 65.7 60 60 A G T < 5S+ 0 0 52 -3,-2.0 3,-0.3 -5,-0.1 2,-0.3 0.598 82.2 114.7 75.0 16.6 3.1 102.9 64.4 61 61 A V < + 0 0 16 -5,-2.4 4,-0.2 -6,-0.2 -4,-0.2 -0.338 39.7 97.3-114.5 50.3 5.6 104.0 61.8 62 62 A D > + 0 0 44 -2,-0.3 4,-3.0 -5,-0.2 5,-0.3 0.552 42.1 102.0-119.9 1.7 3.8 103.2 58.5 63 63 A R H > S+ 0 0 164 -3,-0.3 4,-1.1 1,-0.2 5,-0.1 0.892 92.6 36.7 -53.7 -50.6 2.1 106.5 57.3 64 64 A R H > S+ 0 0 67 2,-0.2 4,-3.1 1,-0.2 5,-0.5 0.903 115.5 55.1 -74.1 -38.0 4.7 107.3 54.6 65 65 A M H > S+ 0 0 10 1,-0.2 4,-2.6 3,-0.2 -2,-0.2 0.946 107.4 48.5 -60.4 -45.7 5.3 103.7 53.7 66 66 A A H < S+ 0 0 80 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.832 119.4 41.3 -64.3 -27.1 1.6 103.1 52.9 67 67 A R H < S+ 0 0 132 -4,-1.1 -2,-0.2 -5,-0.3 -1,-0.2 0.901 130.7 21.6 -79.3 -48.7 1.6 106.3 50.8 68 68 A D H < S+ 0 0 71 -4,-3.1 -3,-0.2 -5,-0.1 -2,-0.2 0.646 94.5 100.6-102.6 -19.0 4.8 105.9 49.0 69 69 A G < - 0 0 16 -4,-2.6 2,-0.5 -5,-0.5 31,-0.2 -0.360 66.4-132.9 -65.8 147.8 5.8 102.3 49.1 70 70 A L E -J 99 0C 51 29,-2.7 29,-3.0 144,-0.1 2,-0.4 -0.912 11.2-142.5-104.1 127.9 5.1 100.4 45.9 71 71 A V E -J 98 0C 91 -2,-0.5 2,-0.5 27,-0.2 27,-0.2 -0.691 18.1-158.2 -87.5 132.0 3.3 96.9 46.2 72 72 A H E -J 97 0C 9 25,-3.0 25,-2.0 -2,-0.4 126,-0.1 -0.964 18.8-175.5-116.9 135.1 4.7 94.4 43.7 73 73 A E + 0 0 90 -2,-0.5 16,-1.8 23,-0.2 15,-1.1 0.484 69.3 16.3-102.5 -9.5 2.8 91.4 42.6 74 74 A G E -K 87 0D 1 13,-0.2 125,-0.5 14,-0.2 2,-0.3 -0.969 55.4-150.1-156.1 171.7 5.4 89.8 40.5 75 75 A V E -Kl 86 199D 6 11,-1.4 11,-2.6 -2,-0.3 2,-0.4 -0.970 18.5-134.7-143.9 143.7 9.1 89.7 39.5 76 76 A E E -Kl 85 200D 22 123,-2.5 125,-2.7 -2,-0.3 2,-0.4 -0.889 8.9-163.2-104.4 142.1 10.9 88.8 36.1 77 77 A I E -Kl 84 201D 4 7,-2.3 7,-2.7 -2,-0.4 2,-0.5 -0.990 9.5-161.5-116.0 130.1 13.9 86.6 35.5 78 78 A A E +Kl 83 202D 6 123,-2.7 125,-2.8 -2,-0.4 2,-0.3 -0.933 22.2 149.6-111.9 126.5 15.7 86.9 32.1 79 79 A F E > +K 82 0D 6 3,-2.5 3,-2.1 -2,-0.5 125,-0.1 -0.982 59.4 1.5-152.1 146.8 18.0 84.2 30.9 80 80 A A T 3 S- 0 0 65 123,-0.5 -1,-0.1 -2,-0.3 124,-0.1 0.874 129.4 -45.8 45.0 54.4 19.0 82.9 27.4 81 81 A G T 3 S+ 0 0 90 1,-0.1 2,-0.4 -3,-0.0 -1,-0.3 0.591 119.8 97.7 69.4 8.1 17.0 85.3 25.3 82 82 A Q E < -K 79 0D 71 -3,-2.1 -3,-2.5 2,-0.0 2,-0.4 -0.968 57.0-149.1-134.6 147.5 13.8 84.9 27.3 83 83 A R E -K 78 0D 85 -2,-0.4 2,-0.5 -5,-0.2 -5,-0.2 -0.934 14.5-169.3-110.0 131.2 11.9 86.7 30.1 84 84 A R E -K 77 0D 88 -7,-2.7 -7,-2.3 -2,-0.4 2,-0.4 -0.975 10.1-148.3-123.9 121.2 9.8 84.8 32.6 85 85 A R E -K 76 0D 109 -2,-0.5 2,-0.7 -9,-0.2 -9,-0.2 -0.746 3.3-153.5 -88.4 132.9 7.3 86.5 35.1 86 86 A I E -K 75 0D 1 -11,-2.6 -11,-1.4 -2,-0.4 2,-1.3 -0.958 12.9-144.8-100.2 108.8 6.7 84.8 38.4 87 87 A D E > -K 74 0D 43 -2,-0.7 4,-2.3 -13,-0.2 5,-0.2 -0.669 19.8-176.4 -74.7 98.4 3.3 85.9 39.6 88 88 A L H > S+ 0 0 0 -2,-1.3 4,-2.0 -15,-1.1 7,-0.3 0.917 77.2 53.0 -65.3 -40.8 4.0 86.1 43.3 89 89 A K H >>S+ 0 0 81 -16,-1.8 5,-3.5 2,-0.2 4,-0.6 0.967 114.5 40.0 -61.9 -49.0 0.5 86.9 44.3 90 90 A R H >45S+ 0 0 147 -17,-0.3 3,-0.9 1,-0.2 -2,-0.2 0.968 120.5 42.5 -63.3 -54.1 -1.0 83.9 42.5 91 91 A L H 3<5S+ 0 0 29 -4,-2.3 -1,-0.2 1,-0.2 292,-0.2 0.685 114.4 48.9 -75.5 -16.9 1.6 81.3 43.4 92 92 A S H 3<5S- 0 0 19 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.530 119.6 -99.7 -99.6 1.0 2.1 82.3 47.0 93 93 A G T <<5S- 0 0 66 -3,-0.9 -3,-0.2 -4,-0.6 -2,-0.1 0.913 84.6 -40.2 78.5 52.9 -1.5 82.3 47.9 94 94 A G S - 0 0 1 113,-0.3 4,-2.3 -2,-0.3 3,-0.4 -0.208 13.5-127.6 -64.8 148.6 14.0 102.1 50.4 102 102 A Q H > S+ 0 0 19 -57,-2.6 4,-2.6 -59,-0.5 5,-0.2 0.884 111.3 58.9 -58.4 -37.0 16.0 101.3 53.5 103 103 A T H > S+ 0 0 28 -60,-0.7 4,-2.3 -58,-0.3 -1,-0.2 0.909 108.0 46.5 -55.4 -45.2 17.0 104.9 53.8 104 104 A E H > S+ 0 0 45 -3,-0.4 4,-2.5 2,-0.2 -2,-0.2 0.927 110.7 49.8 -67.7 -48.1 13.3 105.8 54.0 105 105 A V H X S+ 0 0 3 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.909 112.9 49.1 -53.7 -47.0 12.4 103.2 56.6 106 106 A T H X S+ 0 0 5 -4,-2.6 4,-2.7 -5,-0.2 -2,-0.2 0.934 110.2 49.2 -65.0 -44.3 15.4 104.4 58.7 107 107 A R H X S+ 0 0 80 -4,-2.3 4,-2.6 -5,-0.2 5,-0.2 0.928 110.9 52.0 -58.7 -43.6 14.4 108.1 58.5 108 108 A D H X S+ 0 0 12 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.904 111.8 44.7 -62.1 -43.0 10.8 107.2 59.5 109 109 A L H X S+ 0 0 2 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.932 113.3 51.4 -65.4 -44.5 11.9 105.3 62.5 110 110 A M H X S+ 0 0 31 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.896 110.3 48.1 -56.4 -45.6 14.4 108.1 63.4 111 111 A E H X S+ 0 0 100 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.899 113.3 49.3 -60.5 -43.2 11.6 110.7 63.2 112 112 A A H X S+ 0 0 24 -4,-2.0 4,-1.6 -5,-0.2 -2,-0.2 0.918 110.8 47.8 -63.0 -46.9 9.3 108.5 65.3 113 113 A R H <>S+ 0 0 3 -4,-2.7 5,-1.2 2,-0.2 4,-0.5 0.933 111.5 51.7 -61.7 -44.1 12.0 107.9 68.1 114 114 A E H ><5S+ 0 0 161 -4,-2.0 3,-1.5 -5,-0.2 -2,-0.2 0.966 108.5 50.7 -59.3 -51.5 12.8 111.6 68.3 115 115 A A H 3<5S+ 0 0 86 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.819 108.9 49.9 -54.3 -42.1 9.1 112.6 68.7 116 116 A C T 3<5S- 0 0 49 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.478 109.0-124.1 -80.4 -4.9 8.4 110.2 71.5 117 117 A G T < 5 + 0 0 63 -3,-1.5 -3,-0.2 -4,-0.5 -2,-0.1 0.638 51.9 156.7 76.5 17.2 11.5 111.4 73.4 118 118 A A < - 0 0 20 -5,-1.2 2,-0.3 1,-0.1 -1,-0.2 -0.339 48.7 -90.3 -74.3 154.2 13.3 108.1 73.9 119 119 A T E +f 29 0B 63 -91,-0.5 -89,-2.0 2,-0.0 2,-0.4 -0.482 46.5 165.9 -73.4 126.6 17.1 108.0 74.4 120 120 A T E -f 30 0B 41 -2,-0.3 2,-0.7 -91,-0.2 -89,-0.2 -0.973 16.2-163.9-132.0 122.1 19.5 107.8 71.5 121 121 A V E -f 31 0B 16 -91,-2.9 -89,-2.7 -2,-0.4 3,-0.4 -0.910 11.3-170.0-102.7 107.3 23.3 108.6 72.0 122 122 A Y + 0 0 46 -2,-0.7 -87,-0.2 1,-0.2 -89,-0.2 -0.473 69.4 33.2 -86.6 167.5 25.0 109.2 68.6 123 123 A Q S S+ 0 0 129 -89,-1.8 2,-1.2 1,-0.2 21,-0.3 0.823 74.7 164.6 48.0 37.3 28.9 109.5 68.4 124 124 A A - 0 0 0 -92,-2.3 3,-0.4 -3,-0.4 -1,-0.2 -0.667 24.6-155.0 -78.7 98.3 29.2 107.0 71.2 125 125 A A E +B 142 0A 31 17,-2.5 17,-2.5 -2,-1.2 -91,-0.0 -0.413 56.5 3.3 -83.9 155.7 32.8 106.0 70.8 126 126 A E E S- 0 0 77 15,-0.2 2,-0.2 1,-0.2 -1,-0.2 0.866 74.6-161.5 40.3 54.5 34.5 102.8 71.8 127 127 A V E - 0 0 11 -3,-0.4 2,-0.4 14,-0.1 14,-0.2 -0.452 9.9-174.8 -59.7 127.9 31.5 100.9 73.1 128 128 A R E 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0.952 107.4 49.0 -59.5 -50.2 17.6 82.2 59.1 337 337 A W H X S+ 0 0 96 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.874 109.8 50.7 -63.9 -36.6 18.8 78.9 57.6 338 338 A K H X S+ 0 0 109 -4,-1.6 4,-2.5 -5,-0.3 -1,-0.2 0.948 113.9 44.4 -67.0 -37.9 15.8 78.6 55.1 339 339 A A H X S+ 0 0 11 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.854 111.7 54.4 -71.0 -33.2 16.4 82.2 53.9 340 340 A E H X S+ 0 0 9 -4,-2.4 4,-2.0 -5,-0.2 -2,-0.2 0.939 109.1 48.2 -61.8 -46.2 20.1 81.5 53.7 341 341 A R H X S+ 0 0 110 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.945 113.2 47.5 -63.1 -43.5 19.4 78.4 51.5 342 342 A F H X S+ 0 0 1 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.963 112.3 48.6 -61.5 -48.6 17.1 80.5 49.3 343 343 A S H X S+ 0 0 0 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.862 113.0 48.6 -58.7 -35.5 19.6 83.4 49.0 344 344 A W H X S+ 0 0 118 -4,-2.0 4,-2.6 -5,-0.2 -1,-0.2 0.916 111.1 50.3 -67.8 -44.4 22.4 80.9 48.1 345 345 A W H X S+ 0 0 21 -4,-2.5 4,-2.0 2,-0.2 5,-0.3 0.976 111.6 47.0 -62.5 -50.4 20.2 79.2 45.5 346 346 A M H X S+ 0 0 3 -4,-2.7 4,-1.5 1,-0.2 -1,-0.2 0.914 113.2 49.6 -54.5 -45.3 19.3 82.5 43.8 347 347 A T H X S+ 0 0 0 -4,-1.7 4,-1.5 -5,-0.2 -1,-0.2 0.929 110.1 51.7 -60.5 -45.3 22.9 83.6 43.8 348 348 A S H < S+ 0 0 34 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.814 114.6 39.5 -62.2 -40.7 24.0 80.2 42.3 349 349 A V H < S+ 0 0 5 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.651 118.6 45.2 -89.5 -16.7 21.6 80.2 39.4 350 350 A L H < S+ 0 0 0 -4,-1.5 -146,-0.3 -5,-0.3 2,-0.3 0.673 99.3 71.5-100.2 -17.4 21.8 84.0 38.4 351 351 A H S < S- 0 0 0 -4,-1.5 2,-0.6 -5,-0.2 -148,-0.1 -0.699 75.8-119.9-102.4 154.3 25.5 84.8 38.5 352 352 A R - 0 0 127 -2,-0.3 -144,-0.1 -148,-0.1 -3,-0.1 -0.775 35.2-155.4 -87.0 113.9 28.5 83.9 36.2 353 353 A F - 0 0 55 -2,-0.6 3,-0.3 -5,-0.1 -170,-0.0 -0.738 15.1-131.4 -88.0 147.1 31.0 82.0 38.3 354 354 A P S S+ 0 0 101 0, 0.0 2,-2.4 0, 0.0 -1,-0.1 0.942 96.4 52.7 -45.6 -67.1 34.9 81.6 37.6 355 355 A D S S+ 0 0 157 1,-0.1 2,-1.1 2,-0.0 -2,-0.0 -0.167 79.2 155.8 -74.4 54.7 35.6 77.8 37.9 356 356 A T - 0 0 50 -2,-2.4 -1,-0.1 -3,-0.3 2,-0.0 -0.595 24.1-172.2-104.8 101.7 33.0 76.8 35.5 357 357 A D > - 0 0 92 -2,-1.1 4,-1.7 1,-0.1 3,-0.1 -0.296 41.8-101.5 -72.5 165.1 33.2 73.6 33.5 358 358 A A H > S+ 0 0 74 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.897 118.6 55.7 -57.8 -43.1 30.7 72.8 30.7 359 359 A F H > S+ 0 0 150 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.954 108.5 46.1 -52.2 -57.6 28.5 70.5 32.8 360 360 A S H > S+ 0 0 58 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.898 109.6 55.5 -55.1 -40.5 27.8 73.1 35.7 361 361 A Q H X S+ 0 0 93 -4,-1.7 4,-2.0 1,-0.2 -1,-0.2 0.945 111.8 44.1 -56.2 -44.2 27.0 75.8 33.1 362 362 A R H X S+ 0 0 161 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.860 111.2 51.6 -73.2 -36.7 24.4 73.5 31.6 363 363 A I H X S+ 0 0 78 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.923 109.5 52.9 -63.2 -38.2 23.0 72.5 35.0 364 364 A Q H X S+ 0 0 39 -4,-2.7 4,-1.8 2,-0.2 -2,-0.2 0.934 111.4 44.6 -59.7 -45.6 22.7 76.2 35.8 365 365 A Q H X S+ 0 0 68 -4,-2.0 4,-2.6 1,-0.2 -1,-0.2 0.942 113.3 50.9 -66.4 -43.5 20.7 76.9 32.7 366 366 A T H X S+ 0 0 70 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.870 104.7 57.8 -66.7 -34.7 18.5 73.7 33.3 367 367 A E H X S+ 0 0 58 -4,-2.8 4,-2.7 2,-0.2 5,-0.4 0.963 109.3 45.6 -55.1 -48.3 17.8 74.9 36.9 368 368 A L H X S+ 0 0 3 -4,-1.8 4,-2.4 1,-0.2 5,-0.3 0.983 113.5 49.0 -61.8 -48.0 16.3 78.1 35.5 369 369 A E H X S+ 0 0 89 -4,-2.6 4,-0.7 1,-0.2 -1,-0.2 0.869 116.1 43.1 -60.1 -37.7 14.4 76.3 32.8 370 370 A Y H >X S+ 0 0 125 -4,-2.6 4,-1.6 -5,-0.2 3,-1.0 0.990 116.2 43.6 -72.4 -55.7 12.9 73.7 35.3 371 371 A Y H 3< S+ 0 0 60 -4,-2.7 -2,-0.2 1,-0.3 10,-0.2 0.870 119.7 43.8 -62.2 -33.8 12.0 76.1 38.2 372 372 A L H 3< S+ 0 0 4 -4,-2.4 -1,-0.3 -5,-0.4 -2,-0.2 0.572 115.8 47.0 -82.3 -13.0 10.5 78.7 35.8 373 373 A G H << S+ 0 0 50 -3,-1.0 2,-0.4 -4,-0.7 -2,-0.2 0.625 100.3 73.2-103.1 -15.3 8.6 76.2 33.6 374 374 A S S X S- 0 0 28 -4,-1.6 4,-3.1 1,-0.1 5,-0.2 -0.861 70.3-141.2-104.2 136.1 7.0 74.1 36.3 375 375 A E H > S+ 0 0 97 -2,-0.4 4,-1.8 1,-0.2 -1,-0.1 0.881 109.0 45.5 -61.2 -38.7 4.0 75.2 38.5 376 376 A A H > S+ 0 0 66 2,-0.2 4,-1.8 1,-0.1 -1,-0.2 0.916 113.7 51.0 -67.0 -39.5 5.5 73.5 41.6 377 377 A G H > S+ 0 0 1 1,-0.2 4,-1.6 2,-0.2 3,-0.2 0.959 110.0 48.8 -58.1 -51.3 8.9 75.0 40.7 378 378 A L H X S+ 0 0 18 -4,-3.1 4,-2.6 1,-0.2 -1,-0.2 0.878 107.9 55.4 -58.3 -38.1 7.5 78.5 40.4 379 379 A A H X S+ 0 0 29 -4,-1.8 4,-2.9 -5,-0.2 5,-0.3 0.881 102.4 55.5 -66.4 -32.1 5.7 78.1 43.8 380 380 A T H X S+ 0 0 52 -4,-1.8 4,-1.3 -3,-0.2 -1,-0.2 0.931 112.6 43.3 -68.2 -38.0 9.0 77.2 45.6 381 381 A I H X S+ 0 0 2 -4,-1.6 4,-3.1 -10,-0.2 -2,-0.2 0.969 115.2 48.8 -66.7 -52.6 10.5 80.5 44.3 382 382 A A H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 5,-0.3 0.912 110.9 47.4 -57.9 -48.7 7.4 82.6 45.0 383 383 A E H X S+ 0 0 97 -4,-2.9 4,-0.9 1,-0.2 -1,-0.2 0.857 116.8 45.0 -64.6 -31.2 6.8 81.4 48.6 384 384 A N H < S+ 0 0 16 -4,-1.3 4,-0.3 -5,-0.3 -2,-0.2 0.916 112.1 51.8 -74.4 -39.4 10.5 81.9 49.4 385 385 A F H < S+ 0 0 4 -4,-3.1 -2,-0.2 1,-0.2 -3,-0.2 0.911 111.3 45.5 -68.6 -38.9 10.6 85.3 47.7 386 386 A V H < S- 0 0 8 -4,-2.5 -336,-0.6 -5,-0.2 -1,-0.2 0.781 126.1 -95.7 -75.4 -18.2 7.5 86.6 49.6 387 387 A G < - 0 0 10 -4,-0.9 -2,-0.1 -5,-0.3 -1,-0.1 0.194 29.0-102.9 109.0 122.4 8.8 85.3 52.9 388 388 A L - 0 0 35 -4,-0.3 -4,-0.1 1,-0.1 -49,-0.0 -0.471 57.4 -83.6 -70.6 147.3 8.1 82.1 54.7 389 389 A P - 0 0 111 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.172 43.1-113.3 -60.2 144.5 5.7 82.6 57.7 390 390 A Y - 0 0 66 1,-0.1 2,-0.3 -3,-0.1 -86,-0.0 -0.543 39.2 -97.8 -71.7 143.0 7.1 83.7 61.1 391 391 A E - 0 0 96 -2,-0.2 -1,-0.1 -60,-0.1 -60,-0.0 -0.453 23.1-148.5 -67.8 123.3 7.0 81.2 64.0 392 392 A E + 0 0 185 -2,-0.3 -1,-0.1 1,-0.1 -2,-0.0 0.824 41.0 174.7 -50.1 -43.9 4.0 81.7 66.3 393 393 A I 0 0 39 1,-0.0 -1,-0.1 -62,-0.0 -85,-0.0 0.004 360.0 360.0 60.0-165.7 5.8 80.4 69.5 394 394 A E 0 0 126 -70,-0.1 -1,-0.0 -2,-0.0 -2,-0.0 -0.031 360.0 360.0 98.4 360.0 5.4 79.9 73.3