==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 04-MAR-99 1CC4 . COMPND 2 MOLECULE: PROTEIN (P-HYDROXYBENZOATE HYDROXYLASE); . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS FLUORESCENS; . AUTHOR M.H.M.EPPINK,C.BUNTHOF,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) . 17146.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 292 74.7 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 . 28 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 9.2 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 0 2 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 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 0 111 0, 0.0 150,-2.7 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 158.6 22.6 105.8 84.0 2 2 A K B +a 151 0A 115 148,-0.2 2,-0.3 136,-0.0 150,-0.2 -0.963 360.0 165.0-140.6 151.3 20.3 102.8 84.0 3 3 A T - 0 0 11 148,-2.0 3,-0.2 -2,-0.3 150,-0.1 -0.898 40.3-117.9-152.2 177.3 17.8 101.3 81.6 4 4 A Q S S+ 0 0 54 23,-0.5 149,-2.3 1,-0.3 150,-1.7 0.911 99.5 21.8 -88.4 -56.8 16.0 98.0 81.0 5 5 A V E -de 28 154B 1 22,-2.1 24,-1.9 148,-0.2 2,-0.5 -0.945 67.4-157.0-118.9 121.1 17.2 97.1 77.6 6 6 A A E -de 29 155B 0 148,-2.5 150,-3.1 -2,-0.5 2,-0.5 -0.838 13.4-160.0 -92.4 127.8 20.5 98.5 76.1 7 7 A I E -de 30 156B 0 22,-3.2 24,-2.8 -2,-0.5 2,-0.8 -0.955 5.7-153.7-114.3 120.6 20.5 98.4 72.3 8 8 A I E +de 31 157B 7 148,-2.8 150,-1.7 -2,-0.5 24,-0.2 -0.855 66.0 29.5 -95.8 111.6 23.8 98.6 70.4 9 9 A G - 0 0 7 22,-3.0 23,-0.2 -2,-0.8 150,-0.1 0.239 57.1-142.3 112.5 127.4 23.2 100.1 67.0 10 10 A A + 0 0 0 4,-0.2 -1,-0.1 20,-0.1 22,-0.1 -0.250 64.0 113.7-111.0 38.9 20.8 102.5 65.4 11 11 A G S > S- 0 0 15 147,-0.5 4,-2.3 29,-0.0 5,-0.2 -0.233 93.5 -71.2 -88.7-165.8 20.3 100.8 62.1 12 12 A P H > S+ 0 0 18 0, 0.0 4,-2.7 0, 0.0 5,-0.3 0.876 132.1 52.3 -56.0 -46.8 16.9 99.3 61.2 13 13 A S H > S+ 0 0 16 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.959 113.4 41.5 -56.1 -57.6 17.1 96.4 63.7 14 14 A G H > S+ 0 0 0 144,-0.5 4,-2.4 2,-0.2 -1,-0.2 0.901 117.6 47.3 -59.7 -43.3 18.0 98.5 66.7 15 15 A L H X S+ 0 0 1 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.941 113.5 46.6 -65.0 -48.5 15.5 101.2 65.9 16 16 A L H X S+ 0 0 4 -4,-2.7 4,-2.3 -5,-0.2 5,-0.2 0.914 114.9 47.2 -60.4 -44.8 12.6 98.8 65.2 17 17 A L H X S+ 0 0 0 -4,-2.5 4,-2.4 -5,-0.3 5,-0.2 0.914 112.5 50.9 -61.7 -43.9 13.3 96.9 68.4 18 18 A G H X S+ 0 0 0 -4,-2.4 4,-2.4 -5,-0.2 -2,-0.2 0.898 110.9 47.8 -61.6 -40.5 13.5 100.1 70.3 19 19 A Q H X S+ 0 0 13 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.900 111.7 48.5 -68.2 -45.1 10.2 101.3 69.0 20 20 A L H X S+ 0 0 3 -4,-2.3 4,-1.2 2,-0.2 -2,-0.2 0.925 115.2 45.7 -60.7 -46.1 8.4 98.1 69.7 21 21 A L H <>S+ 0 0 0 -4,-2.4 5,-2.8 -5,-0.2 3,-0.3 0.913 110.7 51.9 -63.8 -46.2 9.7 98.0 73.2 22 22 A H H ><5S+ 0 0 60 -4,-2.4 3,-1.8 1,-0.2 -1,-0.2 0.941 108.7 51.8 -57.8 -46.0 9.0 101.6 74.0 23 23 A K H 3<5S+ 0 0 125 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.780 108.8 50.8 -59.7 -32.8 5.4 101.2 72.9 24 24 A A T 3<5S- 0 0 37 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.377 124.3-104.0 -86.1 1.8 5.0 98.2 75.2 25 25 A G T < 5S+ 0 0 53 -3,-1.8 2,-0.7 -4,-0.3 -3,-0.2 0.613 77.6 133.1 88.2 14.1 6.4 100.2 78.1 26 26 A I < - 0 0 6 -5,-2.8 -1,-0.2 -6,-0.1 -2,-0.2 -0.865 53.1-132.2-103.7 113.3 9.9 98.7 78.3 27 27 A D + 0 0 92 -2,-0.7 -22,-2.1 -3,-0.1 -23,-0.5 -0.382 32.3 172.3 -67.3 141.7 12.6 101.4 78.5 28 28 A N E -d 5 0B 6 -24,-0.2 91,-0.6 -25,-0.1 2,-0.4 -0.979 23.7-149.6-149.8 151.5 15.5 101.1 76.3 29 29 A V E -df 6 119B 6 -24,-1.9 -22,-3.2 -2,-0.3 2,-0.5 -0.993 12.9-149.8-123.6 133.9 18.6 103.2 75.3 30 30 A I E -df 7 120B 0 89,-1.9 91,-3.1 -2,-0.4 2,-0.5 -0.915 7.3-162.6-107.1 129.7 20.1 103.0 71.8 31 31 A L E -df 8 121B 2 -24,-2.8 -22,-3.0 -2,-0.5 2,-0.4 -0.955 9.6-174.1-111.3 123.6 23.9 103.6 71.5 32 32 A E - 0 0 13 89,-3.0 92,-2.8 -2,-0.5 91,-0.2 -0.983 22.9-154.3-124.7 130.7 25.2 104.4 67.9 33 33 A R S S+ 0 0 134 -2,-0.4 -1,-0.1 90,-0.3 89,-0.0 0.884 79.6 50.8 -63.1 -43.8 28.8 104.8 66.9 34 34 A Q S S- 0 0 43 89,-0.1 89,-2.3 1,-0.1 90,-0.3 -0.046 91.3 -91.8 -87.4-172.8 28.0 107.1 63.9 35 35 A T > - 0 0 37 87,-0.2 4,-2.0 88,-0.1 5,-0.2 -0.662 36.6-109.9 -98.5 159.6 26.0 110.2 63.3 36 36 A P H > S+ 0 0 42 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.883 119.4 55.2 -54.7 -38.2 22.3 110.2 62.3 37 37 A D H > S+ 0 0 122 2,-0.2 4,-0.8 1,-0.2 -3,-0.0 0.899 104.7 49.7 -62.4 -48.4 23.5 111.5 58.9 38 38 A Y H >4 S+ 0 0 128 2,-0.2 3,-1.2 1,-0.2 4,-0.4 0.938 111.0 49.8 -59.1 -47.2 26.0 108.7 58.2 39 39 A V H >< S+ 0 0 7 -4,-2.0 3,-1.6 1,-0.3 -2,-0.2 0.938 109.6 52.3 -58.2 -43.8 23.3 106.1 59.0 40 40 A L H 3< S+ 0 0 52 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.632 97.5 68.1 -68.6 -14.3 20.9 107.8 56.7 41 41 A G T << S+ 0 0 51 -3,-1.2 2,-0.6 -4,-0.8 -1,-0.3 0.605 74.6 101.8 -81.5 -11.6 23.4 107.8 53.8 42 42 A R < - 0 0 55 -3,-1.6 -3,-0.0 -4,-0.4 -4,-0.0 -0.648 50.1-172.1 -78.8 118.9 23.3 104.0 53.5 43 43 A I + 0 0 23 -2,-0.6 59,-0.6 59,-0.1 60,-0.5 0.981 36.0 128.1 -73.0 -65.3 21.2 103.0 50.5 44 44 A R + 0 0 121 58,-0.1 -1,-0.1 57,-0.1 59,-0.0 -0.025 49.5 40.8 50.8-133.1 20.9 99.2 50.9 45 45 A A + 0 0 26 1,-0.1 57,-2.3 56,-0.1 58,-0.3 0.009 37.5 165.7 -52.8 148.9 17.6 97.4 50.8 46 46 A G + 0 0 8 55,-0.2 54,-1.9 1,-0.1 2,-0.5 0.513 59.6 75.5-132.3 -23.8 14.7 98.1 48.6 47 47 A V E -I 99 0C 15 52,-0.2 2,-0.4 50,-0.0 253,-0.2 -0.851 55.2-173.2-106.7 125.8 12.5 94.9 49.1 48 48 A L E -I 98 0C 0 50,-3.0 50,-2.7 -2,-0.5 2,-0.1 -0.912 18.8-132.3-117.3 135.4 10.3 94.2 52.2 49 49 A E E > -I 97 0C 6 -2,-0.4 4,-2.1 48,-0.2 3,-0.3 -0.415 29.7-111.8 -76.3 160.8 8.4 91.1 53.1 50 50 A Q H > S+ 0 0 63 336,-0.7 4,-2.7 46,-0.5 5,-0.2 0.836 117.3 60.5 -63.9 -32.4 4.8 91.4 54.3 51 51 A G H > S+ 0 0 25 335,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.919 106.5 44.6 -62.0 -42.2 5.8 90.3 57.7 52 52 A M H > S+ 0 0 3 -3,-0.3 4,-2.1 2,-0.2 -2,-0.2 0.912 111.3 54.3 -67.9 -40.8 8.2 93.2 58.0 53 53 A V H X S+ 0 0 14 -4,-2.1 4,-1.4 1,-0.2 -2,-0.2 0.920 110.1 47.0 -58.3 -43.8 5.4 95.5 56.6 54 54 A D H X S+ 0 0 56 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.858 108.7 54.9 -67.6 -33.6 3.1 94.3 59.4 55 55 A L H X S+ 0 0 5 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.871 105.6 52.3 -68.1 -35.4 5.7 94.7 62.0 56 56 A L H <>S+ 0 0 4 -4,-2.1 5,-2.7 2,-0.2 -1,-0.2 0.861 109.7 49.8 -67.3 -34.5 6.1 98.4 61.0 57 57 A R H ><5S+ 0 0 140 -4,-1.4 3,-2.0 3,-0.2 -2,-0.2 0.942 109.1 51.0 -67.9 -45.2 2.3 98.8 61.3 58 58 A E H 3<5S+ 0 0 81 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.879 109.0 51.7 -59.5 -38.3 2.4 97.2 64.8 59 59 A A T 3<5S- 0 0 2 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.438 115.9-120.5 -77.7 -1.8 5.2 99.6 65.7 60 60 A G T < 5S+ 0 0 49 -3,-2.0 -3,-0.2 -5,-0.1 3,-0.2 0.701 82.5 111.3 69.6 25.8 3.0 102.5 64.5 61 61 A V < + 0 0 15 -5,-2.7 4,-0.2 -6,-0.2 -4,-0.2 -0.239 39.3 98.5-123.7 47.6 5.5 103.7 61.9 62 62 A D > + 0 0 42 -5,-0.2 4,-2.9 -6,-0.1 5,-0.2 0.352 43.7 103.8-118.4 12.6 3.8 102.9 58.6 63 63 A R H > S+ 0 0 162 1,-0.2 4,-1.5 -3,-0.2 5,-0.1 0.962 91.0 35.0 -56.1 -62.2 2.2 106.1 57.5 64 64 A R H > S+ 0 0 42 1,-0.2 4,-3.7 2,-0.2 5,-0.4 0.860 117.6 54.7 -62.4 -39.0 4.7 107.1 54.8 65 65 A M H > S+ 0 0 9 2,-0.2 4,-3.0 1,-0.2 -2,-0.2 0.952 107.3 48.8 -60.1 -49.9 5.2 103.5 53.8 66 66 A A H < S+ 0 0 76 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.833 120.2 40.7 -58.9 -31.0 1.5 102.8 53.2 67 67 A R H < S+ 0 0 144 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.909 129.6 22.7 -83.7 -46.5 1.5 106.0 51.2 68 68 A D H < S+ 0 0 70 -4,-3.7 -3,-0.2 -5,-0.1 -2,-0.2 0.553 94.5 104.3-101.3 -15.0 4.8 105.8 49.2 69 69 A G < - 0 0 16 -4,-3.0 2,-0.6 -5,-0.4 31,-0.2 -0.447 64.3-134.5 -71.4 147.2 5.6 102.1 49.2 70 70 A L E -J 99 0C 51 29,-2.6 29,-3.2 -2,-0.1 2,-0.4 -0.905 11.1-144.6-106.7 120.7 5.0 100.2 46.0 71 71 A V E -J 98 0C 89 -2,-0.6 2,-0.4 27,-0.2 27,-0.2 -0.709 16.6-159.6 -84.9 126.9 3.3 96.8 46.3 72 72 A H E -J 97 0C 12 25,-2.9 25,-1.7 -2,-0.4 126,-0.1 -0.941 19.1-176.2-113.4 133.4 4.6 94.3 43.8 73 73 A E S S+ 0 0 91 -2,-0.4 16,-1.8 23,-0.2 15,-0.7 0.471 71.0 16.1-101.8 -7.5 2.7 91.2 42.8 74 74 A G E -K 87 0D 1 13,-0.2 125,-0.5 14,-0.2 2,-0.3 -0.956 55.6-156.4-155.3 173.5 5.4 89.7 40.5 75 75 A V E -K 86 0D 6 11,-1.4 11,-3.0 -2,-0.3 2,-0.4 -0.957 19.8-129.7-152.6 151.8 9.0 89.7 39.6 76 76 A E E -Kl 85 200D 31 123,-2.8 125,-2.8 -2,-0.3 2,-0.4 -0.916 8.7-161.3-115.6 148.2 10.9 88.6 36.4 77 77 A I E -Kl 84 201D 9 7,-2.6 7,-3.1 -2,-0.4 2,-0.5 -0.985 12.1-162.6-121.0 129.2 13.9 86.4 35.7 78 78 A A E +Kl 83 202D 4 123,-2.9 125,-3.1 -2,-0.4 2,-0.3 -0.952 23.4 145.6-116.4 129.6 15.6 86.8 32.4 79 79 A F E > +K 82 0D 6 3,-2.0 3,-2.9 -2,-0.5 125,-0.1 -0.976 59.6 6.2-157.0 155.1 17.9 84.1 31.1 80 80 A A T 3 S- 0 0 61 123,-0.4 3,-0.1 -2,-0.3 124,-0.1 0.774 129.9 -51.7 37.6 46.2 18.9 82.6 27.7 81 81 A G T 3 S+ 0 0 87 1,-0.2 2,-0.3 0, 0.0 -1,-0.3 0.680 117.0 109.4 70.5 18.7 16.9 85.1 25.7 82 82 A Q E < -K 79 0D 64 -3,-2.9 -3,-2.0 2,-0.0 2,-0.5 -0.909 53.8-154.0-125.6 151.5 13.7 84.5 27.7 83 83 A R E -K 78 0D 92 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.2 -0.989 16.9-171.2-126.5 115.0 11.9 86.7 30.2 84 84 A R E -K 77 0D 85 -7,-3.1 -7,-2.6 -2,-0.5 2,-0.4 -0.936 10.3-150.2-112.7 130.4 9.8 84.8 32.8 85 85 A R E -K 76 0D 103 -2,-0.5 2,-0.6 -9,-0.2 -9,-0.2 -0.830 3.5-152.9 -99.7 133.7 7.4 86.3 35.2 86 86 A I E -K 75 0D 1 -11,-3.0 -11,-1.4 -2,-0.4 2,-1.4 -0.942 12.2-144.5-103.1 115.4 6.8 84.7 38.6 87 87 A D E > -K 74 0D 38 -2,-0.6 4,-2.5 -13,-0.2 -13,-0.2 -0.731 20.8-177.6 -81.2 95.0 3.3 85.7 39.8 88 88 A L H > S+ 0 0 0 -2,-1.4 4,-2.2 -15,-0.7 7,-0.3 0.912 76.5 51.0 -60.5 -46.7 4.1 85.9 43.5 89 89 A K H >>S+ 0 0 79 -16,-1.8 5,-3.8 2,-0.2 4,-0.5 0.940 115.6 40.0 -59.3 -50.8 0.6 86.7 44.6 90 90 A R H >45S+ 0 0 132 -17,-0.3 3,-0.9 1,-0.2 -2,-0.2 0.964 121.2 42.1 -63.9 -52.3 -1.0 83.8 42.7 91 91 A L H 3<5S+ 0 0 28 -4,-2.5 292,-0.2 1,-0.2 -1,-0.2 0.684 114.1 49.8 -72.2 -21.6 1.7 81.3 43.5 92 92 A S H 3<5S- 0 0 19 -4,-2.2 -1,-0.2 3,-0.3 -2,-0.2 0.425 120.2 -99.6 -96.9 -1.1 2.2 82.2 47.2 93 93 A G T <<5S- 0 0 69 -3,-0.9 -3,-0.2 -4,-0.5 -2,-0.1 0.858 85.3 -38.2 86.9 34.7 -1.4 82.1 48.1 94 94 A G S - 0 0 1 113,-0.3 4,-2.3 -2,-0.3 -55,-0.2 -0.100 12.6-130.8 -54.5 147.6 13.9 102.0 50.6 102 102 A Q H > S+ 0 0 15 -57,-2.3 4,-2.6 -59,-0.6 5,-0.2 0.840 110.9 59.5 -66.0 -32.8 15.8 101.1 53.7 103 103 A T H > S+ 0 0 28 -60,-0.5 4,-2.1 -58,-0.3 -1,-0.2 0.925 107.8 45.9 -59.9 -42.8 16.8 104.8 53.9 104 104 A E H > S+ 0 0 48 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.907 111.2 50.5 -65.0 -48.2 13.1 105.7 54.1 105 105 A V H X S+ 0 0 3 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.925 112.9 47.7 -57.1 -45.1 12.3 103.0 56.7 106 106 A T H X S+ 0 0 5 -4,-2.6 4,-2.8 1,-0.2 -1,-0.2 0.878 110.5 51.0 -64.6 -40.2 15.2 104.2 58.9 107 107 A R H X S+ 0 0 62 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.896 110.3 49.8 -64.2 -42.9 14.2 107.9 58.6 108 108 A D H X S+ 0 0 12 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.898 113.1 46.0 -63.1 -43.4 10.6 107.0 59.6 109 109 A L H X S+ 0 0 1 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.917 111.3 52.0 -66.0 -43.5 11.9 105.1 62.6 110 110 A M H X S+ 0 0 26 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.886 110.8 47.6 -59.4 -42.3 14.3 107.8 63.6 111 111 A E H X S+ 0 0 87 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.903 111.6 50.5 -66.6 -41.2 11.6 110.4 63.5 112 112 A A H X S+ 0 0 26 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.926 114.2 43.9 -62.0 -45.4 9.2 108.2 65.5 113 113 A R H X>S+ 0 0 3 -4,-2.6 4,-1.0 2,-0.2 5,-0.9 0.934 110.9 54.7 -64.5 -47.6 11.9 107.7 68.2 114 114 A E H ><5S+ 0 0 161 -4,-2.6 3,-0.9 1,-0.2 -2,-0.2 0.931 111.2 46.2 -50.6 -49.2 12.9 111.3 68.2 115 115 A A H 3<5S+ 0 0 85 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.803 106.0 57.9 -65.8 -35.6 9.2 112.3 68.9 116 116 A S H 3<5S- 0 0 43 -4,-1.7 -1,-0.2 -3,-0.2 -2,-0.2 0.647 104.0-126.8 -70.9 -18.0 8.7 109.7 71.6 117 117 A G T <<5 + 0 0 63 -4,-1.0 -3,-0.1 -3,-0.9 -2,-0.1 0.539 53.9 154.3 84.1 5.0 11.5 111.1 73.7 118 118 A A < - 0 0 19 -5,-0.9 2,-0.3 1,-0.1 -1,-0.2 -0.305 51.8 -92.3 -65.4 152.4 13.2 107.7 74.1 119 119 A T E +f 29 0B 66 -91,-0.6 -89,-1.9 2,-0.0 2,-0.4 -0.506 47.7 167.6 -73.1 127.9 17.0 107.8 74.7 120 120 A T E -f 30 0B 42 -2,-0.3 2,-0.6 -91,-0.2 -89,-0.2 -0.980 15.3-164.0-139.5 125.2 19.4 107.7 71.7 121 121 A V E > -f 31 0B 18 -91,-3.1 -89,-3.0 -2,-0.4 3,-0.5 -0.916 9.6-168.9-112.5 104.8 23.1 108.4 72.0 122 122 A Y T 3 S+ 0 0 54 -2,-0.6 -87,-0.2 1,-0.2 -89,-0.2 -0.442 71.9 30.8 -84.9 165.1 24.9 109.0 68.7 123 123 A Q T 3 S+ 0 0 130 -89,-2.3 2,-1.0 1,-0.2 21,-0.4 0.829 76.2 165.3 53.6 33.9 28.7 109.2 68.4 124 124 A A < - 0 0 1 -92,-2.8 3,-0.4 -3,-0.5 -1,-0.2 -0.740 21.8-163.2 -81.0 105.3 28.8 106.7 71.3 125 125 A A E +B 142 0A 38 17,-2.2 17,-2.7 -2,-1.0 -91,-0.0 -0.550 53.6 15.7 -96.0 160.3 32.5 105.7 71.0 126 126 A E E S- 0 0 109 15,-0.2 -1,-0.2 -2,-0.2 2,-0.2 0.854 74.7-166.2 50.6 46.3 34.4 102.8 72.3 127 127 A V E - 0 0 16 -3,-0.4 2,-0.4 14,-0.1 14,-0.2 -0.454 8.5-178.1 -65.1 128.5 31.4 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22.3 89.2 68.7 284 284 A A > - 0 0 1 -127,-2.4 3,-1.1 -2,-0.3 -124,-0.4 -0.988 44.3 -6.1-144.1 150.4 19.8 90.4 66.0 285 285 A G G >> S- 0 0 0 -2,-0.3 3,-1.9 16,-0.3 4,-1.6 -0.293 123.6 -8.7 69.7-149.2 20.1 91.3 62.3 286 286 A D G 34 S+ 0 0 45 1,-0.3 -1,-0.2 2,-0.2 -128,-0.1 0.621 124.5 72.8 -59.9 -17.0 23.5 91.5 60.5 287 287 A A G <4 S+ 0 0 0 -3,-1.1 -1,-0.3 -130,-0.2 -2,-0.2 0.845 111.2 29.0 -66.5 -31.1 25.3 91.1 63.8 288 288 A A T <4 S+ 0 0 0 -3,-1.9 -15,-1.1 1,-0.3 2,-0.3 0.747 131.8 9.2 -98.9 -27.7 24.2 87.4 63.8 289 289 A H E < -Q 272 0D 1 -4,-1.6 2,-0.4 -17,-0.2 -1,-0.3 -0.990 50.3-155.6-159.5 146.6 24.0 86.7 60.1 290 290 A I E -Q 271 0D 22 -19,-2.3 -19,-2.3 -2,-0.3 -4,-0.0 -0.954 13.4-172.3-123.1 137.2 24.7 87.9 56.6 291 291 A V - 0 0 14 -2,-0.4 -21,-0.2 -21,-0.2 7,-0.1 -0.949 35.1-101.9-125.9 147.3 22.9 86.8 53.4 292 292 A P > - 0 0 0 0, 0.0 3,-1.0 0, 0.0 5,-0.4 -0.476 34.6-119.4 -64.4 148.0 23.8 87.7 49.8 293 293 A P G > S+ 0 0 53 0, 0.0 3,-2.1 0, 0.0 -25,-0.0 0.656 94.5 93.7 -61.8 -18.6 21.4 90.5 48.5 294 294 A T G 3 S+ 0 0 0 1,-0.3 50,-0.1 49,-0.1 49,-0.0 0.800 89.8 39.4 -45.8 -41.7 20.1 88.2 45.7 295 295 A G G < S- 0 0 0 -3,-1.0 -1,-0.3 44,-0.1 48,-0.1 0.460 103.0-127.2 -92.6 -0.1 17.2 86.9 47.7 296 296 A A S < S+ 0 0 19 -3,-2.1 4,-0.1 -4,-0.2 -2,-0.1 0.907 71.1 123.4 56.9 48.8 16.3 90.3 49.4 297 297 A K > + 0 0 6 -5,-0.4 4,-2.5 3,-0.1 5,-0.3 0.663 34.8 87.2-113.6 -21.2 16.4 88.7 52.9 298 298 A G H > S+ 0 0 18 2,-0.2 4,-1.6 1,-0.2 3,-0.1 0.902 99.7 33.0 -46.6 -61.1 18.9 90.6 55.1 299 299 A L H > S+ 0 0 18 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.894 118.4 57.4 -65.4 -39.6 16.7 93.3 56.5 300 300 A N H > S+ 0 0 1 1,-0.2 4,-1.3 -253,-0.2 -2,-0.2 0.806 106.9 46.4 -62.5 -33.0 13.7 91.0 56.4 301 301 A L H X S+ 0 0 1 -4,-2.5 4,-2.2 2,-0.2 -16,-0.3 0.807 107.8 57.2 -77.2 -33.7 15.5 88.4 58.6 302 302 A A H X S+ 0 0 4 -4,-1.6 4,-2.5 -5,-0.3 -2,-0.2 0.930 105.0 54.3 -59.6 -41.2 16.5 91.3 61.0 303 303 A A H X S+ 0 0 1 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.896 108.9 44.8 -60.5 -44.8 12.8 92.0 61.2 304 304 A S H X S+ 0 0 5 -4,-1.3 4,-2.2 2,-0.2 -1,-0.2 0.862 112.1 52.4 -71.5 -31.7 11.9 88.4 62.3 305 305 A D H X S+ 0 0 1 -4,-2.2 4,-3.0 2,-0.2 -2,-0.2 0.954 113.7 44.8 -63.1 -49.9 14.8 88.3 64.8 306 306 A V H X S+ 0 0 0 -4,-2.5 4,-3.0 2,-0.2 5,-0.2 0.898 110.9 51.9 -60.6 -44.6 13.5 91.6 66.3 307 307 A S H X S+ 0 0 6 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.923 113.3 46.4 -60.1 -44.7 9.9 90.4 66.3 308 308 A T H X S+ 0 0 25 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.949 114.3 46.0 -63.4 -49.6 11.0 87.3 68.2 309 309 A L H X S+ 0 0 0 -4,-3.0 4,-2.7 2,-0.2 5,-0.2 0.916 111.9 51.7 -59.5 -46.4 13.2 89.1 70.7 310 310 A Y H X S+ 0 0 23 -4,-3.0 4,-2.2 1,-0.2 -1,-0.2 0.950 111.3 47.3 -55.7 -51.1 10.5 91.8 71.4 311 311 A R H X S+ 0 0 94 -4,-2.2 4,-1.7 -5,-0.2 -1,-0.2 0.874 113.8 46.3 -62.5 -37.3 7.9 89.1 72.1 312 312 A L H X S+ 0 0 19 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.862 111.9 51.6 -72.8 -35.4 10.2 87.1 74.4 313 313 A L H X S+ 0 0 2 -4,-2.7 4,-2.4 -5,-0.2 5,-0.3 0.856 107.4 53.9 -68.6 -34.2 11.2 90.3 76.2 314 314 A L H X>S+ 0 0 20 -4,-2.2 4,-3.0 -5,-0.2 5,-0.8 0.922 108.6 48.1 -64.8 -46.0 7.6 91.2 76.7 315 315 A K H X5S+ 0 0 65 -4,-1.7 6,-2.5 3,-0.2 4,-1.0 0.888 112.9 49.8 -62.0 -37.1 6.9 87.8 78.3 316 316 A A H <5S+ 0 0 12 -4,-1.8 6,-0.4 4,-0.3 4,-0.3 0.903 121.5 31.9 -68.2 -42.8 9.9 88.3 80.6 317 317 A Y H <5S+ 0 0 61 -4,-2.4 -2,-0.2 4,-0.1 -3,-0.2 0.909 130.3 32.1 -81.5 -47.9 9.0 91.8 81.7 318 318 A R H <5S+ 0 0 182 -4,-3.0 -3,-0.2 -5,-0.3 -2,-0.1 0.871 133.3 27.2 -78.4 -43.2 5.2 91.6 81.7 319 319 A E S < + 0 0 94 -6,-2.5 3,-1.5 1,-0.2 4,-0.3 -0.422 10.7 151.5-103.2 61.6 8.6 84.5 82.2 322 322 A G G > + 0 0 28 -2,-0.6 3,-1.5 -6,-0.4 4,-0.3 0.717 59.8 74.3 -62.6 -25.0 12.3 85.1 81.7 323 323 A E G > S+ 0 0 103 1,-0.3 3,-1.5 -3,-0.2 -1,-0.3 0.776 82.2 71.0 -61.3 -25.4 13.2 81.5 81.1 324 324 A L G X S+ 0 0 12 -3,-1.5 3,-2.3 1,-0.3 4,-0.3 0.784 79.4 76.0 -63.6 -24.3 11.6 81.8 77.6 325 325 A L G X S+ 0 0 7 -3,-1.5 3,-1.6 1,-0.3 4,-0.3 0.774 79.7 71.5 -60.9 -19.8 14.5 83.9 76.5 326 326 A E G < S+ 0 0 160 -3,-1.5 4,-0.3 1,-0.3 -1,-0.3 0.721 91.4 59.9 -69.2 -16.2 16.6 80.7 76.3 327 327 A R G <> S+ 0 0 152 -3,-2.3 4,-2.2 -4,-0.2 -1,-0.3 0.550 75.6 98.7 -87.4 -8.7 14.6 79.8 73.3 328 328 A Y H <> S+ 0 0 0 -3,-1.6 4,-2.4 -4,-0.3 5,-0.2 0.890 83.4 43.5 -43.8 -61.8 15.6 82.8 71.2 329 329 A S H > S+ 0 0 8 -4,-0.3 4,-2.9 -3,-0.2 -1,-0.2 0.874 112.1 51.9 -55.8 -46.3 18.3 81.3 69.1 330 330 A A H > S+ 0 0 51 -4,-0.3 4,-1.1 2,-0.2 -1,-0.2 0.908 112.1 47.1 -59.4 -44.0 16.5 78.0 68.3 331 331 A I H X S+ 0 0 31 -4,-2.2 4,-0.9 1,-0.2 3,-0.3 0.951 116.7 42.0 -64.3 -48.7 13.4 79.9 67.1 332 332 A C H X S+ 0 0 5 -4,-2.4 4,-2.7 -5,-0.2 3,-0.5 0.897 107.7 59.2 -66.9 -43.5 15.4 82.4 64.9 333 333 A L H X S+ 0 0 21 -4,-2.9 4,-2.4 1,-0.2 5,-0.3 0.801 97.0 61.5 -59.2 -30.4 17.8 79.9 63.4 334 334 A R H X S+ 0 0 132 -4,-1.1 4,-1.2 -3,-0.3 -1,-0.2 0.935 112.7 36.6 -62.4 -43.4 15.0 77.8 61.9 335 335 A R H X S+ 0 0 19 -4,-0.9 4,-2.2 -3,-0.5 5,-0.2 0.902 115.0 56.6 -74.5 -40.7 14.0 80.8 59.8 336 336 A I H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.915 105.6 48.5 -57.4 -48.9 17.5 82.0 59.2 337 337 A W H X S+ 0 0 94 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.903 111.1 51.4 -63.0 -37.4 18.8 78.8 57.7 338 338 A K H X S+ 0 0 120 -4,-1.2 4,-2.0 -5,-0.3 -1,-0.2 0.900 112.6 44.5 -67.1 -38.1 15.8 78.6 55.4 339 339 A A H X S+ 0 0 11 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.849 112.3 53.7 -72.9 -33.8 16.4 82.1 54.1 340 340 A E H X S+ 0 0 8 -4,-2.6 4,-1.9 -5,-0.2 -2,-0.2 0.890 108.2 49.6 -64.4 -42.7 20.1 81.4 53.8 341 341 A R H X S+ 0 0 110 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.947 112.6 47.3 -61.9 -45.9 19.4 78.3 51.6 342 342 A F H X S+ 0 0 2 -4,-2.0 4,-2.8 1,-0.2 5,-0.2 0.933 113.0 47.8 -60.6 -47.8 17.1 80.4 49.4 343 343 A S H X S+ 0 0 0 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.824 112.1 50.4 -63.9 -32.7 19.6 83.3 49.0 344 344 A W H X S+ 0 0 120 -4,-1.9 4,-2.7 2,-0.2 -1,-0.2 0.926 111.7 48.0 -70.3 -44.1 22.3 80.8 48.3 345 345 A W H X S+ 0 0 19 -4,-2.7 4,-2.2 2,-0.2 5,-0.2 0.940 111.7 48.6 -61.4 -50.8 20.2 79.1 45.6 346 346 A M H X S+ 0 0 6 -4,-2.8 4,-1.5 1,-0.2 -1,-0.2 0.905 112.6 49.7 -55.8 -43.8 19.2 82.4 44.0 347 347 A T H X S+ 0 0 0 -4,-1.8 4,-1.6 -5,-0.2 3,-0.2 0.940 110.8 49.0 -63.0 -45.1 22.8 83.5 44.0 348 348 A S H < S+ 0 0 33 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.825 114.6 43.3 -68.4 -31.4 24.0 80.2 42.4 349 349 A V H < S+ 0 0 5 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.714 118.1 43.1 -88.0 -17.0 21.5 80.2 39.6 350 350 A L H < S+ 0 0 0 -4,-1.5 -146,-0.3 -5,-0.2 2,-0.2 0.650 101.9 70.2-101.1 -17.8 21.7 83.9 38.6 351 351 A H S < S- 0 0 0 -4,-1.6 2,-0.6 -5,-0.2 -148,-0.1 -0.638 75.1-121.2-103.2 162.6 25.4 84.6 38.6 352 352 A R - 0 0 66 -2,-0.2 -144,-0.1 -148,-0.1 -3,-0.1 -0.883 30.3-154.8-102.3 115.3 28.3 83.7 36.5 353 353 A F > - 0 0 39 -2,-0.6 3,-0.6 -5,-0.1 2,-0.1 -0.722 18.0-114.2 -91.6 142.9 31.0 81.8 38.5 354 354 A P T 3 S+ 0 0 75 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.413 93.9 14.7 -73.7 151.3 34.6 81.8 37.5 355 355 A D T 3 S+ 0 0 167 1,-0.2 2,-0.5 -2,-0.1 0, 0.0 0.886 82.3 152.9 55.6 45.8 36.1 78.4 36.5 356 356 A T < - 0 0 55 -3,-0.6 -1,-0.2 3,-0.0 2,-0.0 -0.905 37.3-130.5-105.6 133.6 32.9 76.5 36.1 357 357 A D > - 0 0 94 -2,-0.5 4,-2.1 1,-0.1 5,-0.2 -0.258 27.3 -96.3 -77.1 174.3 32.9 73.6 33.6 358 358 A A H > S+ 0 0 75 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.866 122.4 54.4 -56.8 -42.4 30.5 72.8 30.8 359 359 A F H > S+ 0 0 147 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.957 109.1 47.2 -59.2 -50.2 28.5 70.4 32.9 360 360 A S H > S+ 0 0 54 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.857 110.0 53.1 -59.3 -40.0 27.9 73.0 35.7 361 361 A Q H X S+ 0 0 85 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.878 110.8 46.9 -64.6 -38.5 26.9 75.7 33.2 362 362 A R H X S+ 0 0 163 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.891 111.7 50.2 -70.2 -40.9 24.3 73.4 31.6 363 363 A I H X S+ 0 0 77 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.928 109.0 52.7 -63.2 -39.8 22.9 72.4 35.1 364 364 A Q H X S+ 0 0 26 -4,-2.6 4,-1.5 1,-0.2 -2,-0.2 0.927 111.9 45.8 -61.0 -42.5 22.6 76.1 36.0 365 365 A Q H X S+ 0 0 67 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.879 112.3 50.3 -67.4 -38.9 20.7 76.7 32.8 366 366 A T H X S+ 0 0 67 -4,-2.4 4,-3.2 2,-0.2 5,-0.2 0.835 103.4 59.7 -69.8 -33.4 18.5 73.6 33.4 367 367 A E H X S+ 0 0 58 -4,-2.5 4,-2.8 2,-0.2 5,-0.3 0.935 110.1 43.4 -57.8 -46.5 17.7 74.7 37.0 368 368 A L H X S+ 0 0 5 -4,-1.5 4,-2.6 2,-0.2 5,-0.2 0.961 113.7 50.3 -65.1 -48.9 16.2 77.9 35.6 369 369 A E H < S+ 0 0 88 -4,-2.4 4,-0.5 1,-0.2 -2,-0.2 0.905 116.3 42.4 -55.4 -45.4 14.4 76.1 32.8 370 370 A Y H >X S+ 0 0 121 -4,-3.2 4,-1.5 2,-0.2 3,-1.2 0.974 116.4 44.3 -67.7 -54.6 12.9 73.6 35.3 371 371 A Y H 3< S+ 0 0 60 -4,-2.8 10,-0.2 1,-0.3 -2,-0.2 0.829 116.7 45.9 -62.5 -32.9 12.0 76.0 38.1 372 372 A L T 3< S+ 0 0 4 -4,-2.6 -1,-0.3 -5,-0.3 -2,-0.2 0.487 116.3 46.0 -88.1 -3.8 10.5 78.6 35.8 373 373 A G T <4 S+ 0 0 53 -3,-1.2 2,-0.4 -4,-0.5 -2,-0.2 0.557 99.1 73.6-112.2 -14.0 8.5 76.1 33.8 374 374 A S X - 0 0 27 -4,-1.5 4,-2.8 1,-0.1 5,-0.2 -0.860 69.4-142.8-103.2 141.5 7.0 73.9 36.5 375 375 A E H > S+ 0 0 116 -2,-0.4 4,-1.9 2,-0.2 -1,-0.1 0.873 107.4 47.5 -67.3 -39.3 4.1 75.1 38.7 376 376 A A H > S+ 0 0 62 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.898 113.3 49.7 -66.1 -40.8 5.5 73.3 41.7 377 377 A G H > S+ 0 0 1 -7,-0.2 4,-1.5 2,-0.2 -2,-0.2 0.931 110.6 48.4 -63.4 -45.5 8.9 74.9 40.9 378 378 A L H X S+ 0 0 18 -4,-2.8 4,-2.9 1,-0.2 -1,-0.2 0.880 108.4 56.0 -62.1 -39.0 7.5 78.4 40.5 379 379 A A H X S+ 0 0 29 -4,-1.9 4,-2.5 1,-0.2 5,-0.3 0.854 102.5 54.9 -63.0 -36.6 5.7 77.9 43.8 380 380 A T H X S+ 0 0 53 -4,-1.6 4,-1.0 -3,-0.2 -1,-0.2 0.890 111.9 43.8 -66.3 -37.5 9.0 77.1 45.6 381 381 A I H X S+ 0 0 9 -4,-1.5 4,-2.6 -10,-0.2 3,-0.3 0.973 114.9 49.7 -68.8 -50.8 10.5 80.4 44.4 382 382 A A H X S+ 0 0 0 -4,-2.9 4,-2.6 1,-0.2 5,-0.3 0.894 110.1 46.6 -55.0 -50.7 7.3 82.4 45.2 383 383 A E H X S+ 0 0 98 -4,-2.5 4,-0.7 1,-0.2 -1,-0.2 0.812 116.6 46.4 -65.1 -29.6 6.7 81.3 48.8 384 384 A N H < S+ 0 0 15 -4,-1.0 4,-0.3 -3,-0.3 -1,-0.2 0.866 113.1 49.5 -77.3 -38.9 10.4 81.8 49.6 385 385 A Y H < S+ 0 0 6 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.901 111.6 45.3 -69.3 -44.4 10.5 85.2 48.0 386 386 A V H < S- 0 0 4 -4,-2.6 -336,-0.7 -5,-0.2 -335,-0.3 0.781 128.0 -96.5 -70.5 -23.5 7.4 86.7 49.7 387 387 A G < - 0 0 6 -4,-0.7 -2,-0.2 -5,-0.3 -1,-0.1 0.139 27.2 -99.7 113.0 128.3 8.8 85.2 52.9 388 388 A L - 0 0 37 -4,-0.3 -4,-0.1 1,-0.1 -49,-0.0 -0.476 58.1 -85.8 -72.5 146.8 8.3 82.0 54.9 389 389 A P - 0 0 95 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.103 40.6-109.9 -55.4 150.2 5.9 82.5 57.9 390 390 A Y 0 0 71 1,-0.2 -86,-0.0 -3,-0.1 -3,-0.0 -0.652 360.0 360.0 -79.2 141.1 7.2 83.7 61.3 391 391 A E 0 0 129 -2,-0.3 -1,-0.2 -60,-0.1 -59,-0.1 0.872 360.0 360.0 -99.0 360.0 7.1 81.0 64.0