==== 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 1K0I . 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) . 17767.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 285 72.3 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 . 68 17.3 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 . 34 8.6 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 0 2 2 0 0 1 1 1 0 1 1 0 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 1 2 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 94 0, 0.0 150,-2.1 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 160.5 56.0 97.3 134.4 2 2 A K B +a 151 0A 176 148,-0.2 2,-0.2 136,-0.0 150,-0.2 -0.978 360.0 146.0-149.2 131.0 53.4 94.4 134.7 3 3 A T - 0 0 14 148,-2.5 3,-0.2 -2,-0.3 25,-0.1 -0.819 48.1-115.8-147.8-173.9 51.1 92.9 132.2 4 4 A Q S S+ 0 0 50 23,-0.3 149,-2.9 1,-0.3 150,-1.9 0.854 100.8 26.3 -97.8 -51.4 49.5 89.6 131.2 5 5 A V E S-de 28 154B 1 22,-2.1 24,-1.7 148,-0.2 2,-0.4 -0.950 71.2-155.5-119.3 116.6 51.0 89.0 127.8 6 6 A A E -de 29 155B 0 148,-2.7 150,-3.1 -2,-0.5 2,-0.5 -0.735 12.0-158.4 -87.3 134.8 54.3 90.6 126.9 7 7 A I E -de 30 156B 0 22,-3.4 24,-3.1 -2,-0.4 2,-0.8 -0.959 6.7-156.0-121.7 120.3 54.8 91.1 123.1 8 8 A I E +de 31 157B 6 148,-2.5 150,-1.9 -2,-0.5 24,-0.2 -0.833 65.8 29.2 -96.1 112.6 58.2 91.5 121.5 9 9 A G - 0 0 6 22,-2.7 23,-0.2 -2,-0.8 150,-0.1 0.217 57.0-141.5 111.9 128.3 57.9 93.4 118.2 10 10 A A + 0 0 0 4,-0.2 -1,-0.1 20,-0.1 22,-0.1 -0.284 66.0 110.8-111.7 42.0 55.6 96.1 116.8 11 11 A G S > S- 0 0 10 147,-0.5 4,-2.4 29,-0.0 5,-0.3 -0.202 94.3 -67.5 -95.3-163.9 55.4 94.7 113.3 12 12 A P H > S+ 0 0 23 0, 0.0 4,-2.3 0, 0.0 5,-0.3 0.906 133.8 48.8 -54.9 -47.5 52.2 93.2 111.8 13 13 A S H > S+ 0 0 10 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.950 115.2 41.7 -59.6 -53.3 52.3 90.1 114.1 14 14 A G H > S+ 0 0 0 144,-0.5 4,-2.5 1,-0.2 -1,-0.2 0.906 116.7 47.1 -63.5 -43.5 52.8 92.0 117.3 15 15 A L H X S+ 0 0 1 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.896 113.8 47.3 -66.2 -42.1 50.4 94.8 116.6 16 16 A L H X S+ 0 0 3 -4,-2.3 4,-2.2 -5,-0.3 -2,-0.2 0.929 114.0 46.9 -66.8 -44.2 47.6 92.4 115.4 17 17 A L H X S+ 0 0 0 -4,-2.4 4,-2.3 -5,-0.3 5,-0.2 0.926 114.1 49.5 -61.8 -44.2 48.1 90.1 118.4 18 18 A G H X S+ 0 0 0 -4,-2.5 4,-2.0 -5,-0.2 -1,-0.2 0.850 110.7 47.7 -64.4 -36.9 48.1 93.1 120.7 19 19 A Q H X S+ 0 0 10 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.874 112.2 50.4 -73.6 -35.9 44.9 94.7 119.2 20 20 A L H X S+ 0 0 2 -4,-2.2 4,-1.2 2,-0.2 -2,-0.2 0.910 113.8 44.7 -66.2 -42.0 43.1 91.3 119.4 21 21 A L H X>S+ 0 0 0 -4,-2.3 5,-2.5 2,-0.2 4,-0.6 0.869 109.6 57.4 -70.0 -35.9 44.1 90.9 123.1 22 22 A H H ><5S+ 0 0 69 -4,-2.0 3,-1.3 1,-0.2 -2,-0.2 0.952 108.2 45.1 -58.3 -50.8 43.2 94.6 123.7 23 23 A K H 3<5S+ 0 0 128 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.780 110.7 55.2 -65.1 -27.0 39.6 94.0 122.5 24 24 A A H 3<5S- 0 0 19 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.527 115.9-115.3 -83.2 -7.2 39.4 90.8 124.5 25 25 A G T <<5 + 0 0 55 -3,-1.3 2,-0.6 -4,-0.6 -3,-0.2 0.648 68.8 141.1 82.9 13.8 40.4 92.6 127.7 26 26 A I < - 0 0 8 -5,-2.5 -1,-0.3 -6,-0.2 -2,-0.2 -0.825 55.6-120.0 -94.0 119.4 43.6 90.8 128.1 27 27 A D + 0 0 95 -2,-0.6 -22,-2.1 -3,-0.1 -23,-0.3 -0.291 43.1 167.9 -58.5 137.2 46.4 93.1 129.3 28 28 A N E -d 5 0B 13 -24,-0.2 91,-0.6 -25,-0.1 2,-0.4 -0.995 23.6-160.3-154.9 149.6 49.3 93.3 126.9 29 29 A V E -df 6 119B 5 -24,-1.7 -22,-3.4 -2,-0.3 2,-0.5 -0.999 11.1-149.0-134.6 132.1 52.4 95.4 126.3 30 30 A I E -df 7 120B 0 89,-2.3 91,-3.2 -2,-0.4 2,-0.6 -0.877 6.6-163.2-104.6 129.6 54.4 95.7 123.1 31 31 A L E -df 8 121B 1 -24,-3.1 -22,-2.7 -2,-0.5 2,-0.5 -0.954 10.8-175.4-113.7 117.4 58.2 96.3 123.2 32 32 A E - 0 0 18 89,-3.1 92,-3.1 -2,-0.6 91,-0.3 -0.956 21.7-154.6-118.8 129.6 59.7 97.5 119.9 33 33 A R S S+ 0 0 138 -2,-0.5 -1,-0.1 90,-0.3 89,-0.1 0.855 78.5 51.2 -66.7 -38.4 63.4 98.1 119.3 34 34 A Q S S- 0 0 61 89,-0.1 89,-2.2 1,-0.1 90,-0.3 -0.168 91.6 -93.1 -91.8-173.4 63.0 100.7 116.6 35 35 A T > - 0 0 45 87,-0.2 4,-2.2 88,-0.1 5,-0.2 -0.561 36.1-106.7 -96.7 165.0 61.0 103.9 116.3 36 36 A P H > S+ 0 0 51 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.924 120.8 48.2 -56.8 -47.0 57.4 104.2 114.8 37 37 A D H > S+ 0 0 131 1,-0.2 4,-1.2 2,-0.2 5,-0.1 0.822 108.0 55.3 -64.8 -32.6 58.7 105.9 111.7 38 38 A Y H >4 S+ 0 0 128 2,-0.2 3,-0.5 1,-0.2 4,-0.3 0.959 109.4 46.3 -65.3 -48.5 61.4 103.3 111.2 39 39 A V H >< S+ 0 0 6 -4,-2.2 3,-1.4 1,-0.2 -2,-0.2 0.922 114.1 48.1 -58.0 -45.6 58.8 100.5 111.3 40 40 A L H 3< S+ 0 0 53 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.693 97.9 71.4 -70.2 -18.3 56.5 102.4 108.9 41 41 A G T << S+ 0 0 48 -4,-1.2 2,-0.8 -3,-0.5 -1,-0.3 0.583 73.3 101.5 -74.5 -8.6 59.5 103.1 106.6 42 42 A R < - 0 0 81 -3,-1.4 2,-0.9 -4,-0.3 -3,-0.0 -0.685 66.4-150.7 -82.1 109.7 59.5 99.4 105.6 43 43 A I + 0 0 91 -2,-0.8 2,-0.4 59,-0.1 -2,-0.1 -0.720 29.2 162.6 -84.3 108.6 57.8 99.2 102.2 44 44 A R - 0 0 134 -2,-0.9 59,-1.6 1,-0.0 58,-0.6 -0.991 28.9-134.4-133.4 138.3 56.1 95.8 102.0 45 45 A A - 0 0 37 -2,-0.4 57,-1.2 56,-0.2 2,-0.2 0.049 19.5-160.3 -75.1-173.5 53.4 94.4 99.7 46 46 A G - 0 0 8 55,-0.2 54,-1.1 56,-0.1 2,-0.4 -0.776 25.6-178.6-178.6 129.7 50.4 92.3 100.6 47 47 A V E -I 99 0C 18 249,-0.4 2,-0.3 -2,-0.2 52,-0.2 -0.892 34.8-147.0-131.2 95.5 47.8 89.9 99.2 48 48 A L E -I 98 0C 0 50,-3.1 50,-1.8 -2,-0.4 249,-0.1 -0.513 1.9-135.7 -78.4 127.4 45.5 89.1 102.1 49 49 A E > - 0 0 7 -2,-0.3 4,-2.4 48,-0.2 3,-0.4 -0.318 30.9-108.1 -70.2 158.8 43.8 85.7 102.5 50 50 A Q H > S+ 0 0 37 336,-1.2 4,-2.8 46,-0.3 5,-0.2 0.891 121.2 58.2 -55.3 -41.4 40.2 85.7 103.5 51 51 A G H > S+ 0 0 18 335,-0.5 4,-1.8 1,-0.2 -1,-0.2 0.891 107.9 44.9 -57.4 -41.2 41.3 84.5 106.9 52 52 A M H > S+ 0 0 2 -3,-0.4 4,-2.4 2,-0.2 -1,-0.2 0.896 110.8 53.1 -70.9 -40.8 43.5 87.5 107.4 53 53 A V H X S+ 0 0 3 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.933 111.3 47.6 -58.5 -43.9 40.8 89.9 106.2 54 54 A D H X S+ 0 0 75 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.870 110.0 52.9 -64.7 -37.9 38.4 88.4 108.7 55 55 A L H X S+ 0 0 4 -4,-1.8 4,-2.0 -5,-0.2 -1,-0.2 0.890 107.6 50.0 -66.4 -39.5 41.0 88.7 111.5 56 56 A L H <>S+ 0 0 3 -4,-2.4 5,-2.8 2,-0.2 4,-0.2 0.883 112.1 48.5 -67.0 -36.9 41.6 92.4 110.8 57 57 A R H ><5S+ 0 0 127 -4,-1.8 3,-1.6 1,-0.2 -2,-0.2 0.920 109.8 51.7 -66.6 -43.6 37.8 93.0 110.9 58 58 A E H 3<5S+ 0 0 101 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.870 108.5 52.0 -60.0 -36.3 37.6 91.0 114.1 59 59 A A T 3<5S- 0 0 2 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.520 116.0-119.5 -77.7 -5.7 40.4 93.3 115.4 60 60 A G T < 5S+ 0 0 46 -3,-1.6 2,-0.2 -4,-0.2 -3,-0.2 0.732 83.4 112.3 73.8 23.2 38.3 96.3 114.4 61 61 A V < + 0 0 15 -5,-2.8 -4,-0.1 -6,-0.1 -3,-0.1 -0.570 39.7 95.0-127.2 68.7 41.0 97.6 112.0 62 62 A D > + 0 0 45 -2,-0.2 4,-2.8 -5,-0.2 5,-0.2 0.435 47.5 97.0-134.2 -5.6 39.5 97.2 108.6 63 63 A R H > S+ 0 0 155 1,-0.2 4,-1.1 2,-0.2 5,-0.1 0.924 91.5 43.1 -54.0 -51.0 38.0 100.6 107.7 64 64 A R H > S+ 0 0 77 1,-0.2 4,-3.4 2,-0.2 5,-0.4 0.900 114.9 50.7 -61.6 -43.5 41.0 101.7 105.7 65 65 A M H > S+ 0 0 7 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.882 106.1 54.4 -62.8 -40.6 41.4 98.3 104.0 66 66 A A H < S+ 0 0 73 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.788 118.3 37.5 -64.7 -25.5 37.7 98.3 103.0 67 67 A R H < S+ 0 0 148 -4,-1.1 -2,-0.2 -3,-0.3 -1,-0.2 0.865 130.3 24.3 -94.0 -43.2 38.3 101.6 101.3 68 68 A D H < S+ 0 0 64 -4,-3.4 -3,-0.2 -5,-0.1 -2,-0.2 0.604 97.8 101.2-100.8 -14.7 41.8 101.4 99.8 69 69 A G < - 0 0 17 -4,-2.2 2,-0.6 -5,-0.4 31,-0.2 -0.375 66.2-132.8 -73.6 151.1 42.1 97.6 99.4 70 70 A L E -J 99 0C 32 29,-2.2 29,-3.5 143,-0.1 2,-0.6 -0.916 13.9-148.6-108.0 114.1 41.6 95.9 96.0 71 71 A V E -J 98 0C 93 -2,-0.6 2,-0.5 27,-0.2 27,-0.2 -0.709 14.5-162.8 -83.5 120.3 39.4 92.8 96.1 72 72 A H E -J 97 0C 10 25,-3.1 25,-1.8 -2,-0.6 126,-0.1 -0.908 18.7-173.8-109.6 129.5 40.5 90.2 93.5 73 73 A E S S+ 0 0 95 -2,-0.5 16,-2.1 23,-0.2 15,-0.3 0.471 74.0 12.2 -94.3 -6.1 38.2 87.4 92.4 74 74 A G - 0 0 1 13,-0.2 125,-0.4 14,-0.2 2,-0.3 -0.973 58.4-148.7-160.8 172.2 40.9 85.8 90.3 75 75 A V E -K 86 0D 5 11,-1.7 11,-3.4 -2,-0.3 2,-0.4 -0.971 17.8-137.3-146.7 151.7 44.6 85.6 89.4 76 76 A E E -Kl 85 200D 26 123,-2.2 125,-2.9 -2,-0.3 2,-0.4 -0.897 7.5-162.2-120.4 148.8 46.3 84.8 86.1 77 77 A I E -Kl 84 201D 2 7,-2.7 7,-2.5 -2,-0.4 2,-0.4 -0.994 15.4-157.9-123.7 128.8 49.4 82.7 85.2 78 78 A A E +Kl 83 202D 2 123,-3.1 125,-3.1 -2,-0.4 2,-0.3 -0.898 24.5 144.8-111.5 140.5 50.9 83.3 81.8 79 79 A F E > +K 82 0D 8 3,-2.1 3,-1.7 -2,-0.4 125,-0.1 -0.942 60.0 21.1-167.3 148.5 53.1 80.9 79.9 80 80 A A T 3 S- 0 0 67 123,-0.4 3,-0.1 -2,-0.3 124,-0.1 0.883 130.2 -59.4 56.1 40.4 53.7 79.8 76.3 81 81 A G T 3 S+ 0 0 53 1,-0.2 2,-0.4 -3,-0.0 -1,-0.3 0.586 115.5 106.1 67.5 11.9 52.2 83.2 75.1 82 82 A Q E < -K 79 0D 79 -3,-1.7 -3,-2.1 166,-0.1 2,-0.5 -0.942 63.2-134.4-128.5 148.9 48.9 82.6 76.7 83 83 A R E -K 78 0D 79 -2,-0.4 2,-0.5 -5,-0.2 -5,-0.2 -0.859 19.0-167.5-100.2 126.1 47.0 83.9 79.8 84 84 A R E -K 77 0D 47 -7,-2.5 -7,-2.7 -2,-0.5 2,-0.4 -0.961 8.9-151.0-117.4 118.6 45.3 81.4 82.0 85 85 A R E -K 76 0D 101 -2,-0.5 2,-0.6 -9,-0.2 -9,-0.2 -0.711 4.3-154.2 -93.5 138.2 42.9 82.7 84.7 86 86 A I E -K 75 0D 1 -11,-3.4 2,-1.7 -2,-0.4 -11,-1.7 -0.947 13.9-145.0-108.6 112.8 42.2 81.0 87.9 87 87 A D > + 0 0 42 -2,-0.6 4,-3.0 -13,-0.2 5,-0.3 -0.621 22.2 178.5 -82.0 86.6 38.7 81.9 89.1 88 88 A L H > S+ 0 0 0 -2,-1.7 4,-2.8 -15,-0.3 6,-0.3 0.910 76.8 49.0 -53.8 -50.4 39.5 82.0 92.9 89 89 A K H >>S+ 0 0 75 -16,-2.1 5,-2.0 2,-0.2 4,-1.8 0.964 116.3 40.8 -57.3 -56.3 35.9 83.0 93.8 90 90 A R H 45S+ 0 0 136 -17,-0.3 3,-0.2 1,-0.2 -2,-0.2 0.949 119.0 45.5 -58.9 -51.7 34.2 80.4 91.7 91 91 A L H <5S+ 0 0 37 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.841 119.1 41.0 -63.3 -35.8 36.6 77.6 92.6 92 92 A S H <5S- 0 0 29 -4,-2.8 -1,-0.2 -5,-0.3 -2,-0.2 0.641 113.4-113.8 -87.6 -16.5 36.7 78.4 96.3 93 93 A G T <5S- 0 0 71 -4,-1.8 -3,-0.2 -5,-0.3 -4,-0.1 0.654 86.4 -21.7 93.7 16.9 32.9 79.0 96.6 94 94 A G S - 0 0 6 -2,-0.3 4,-2.5 1,-0.1 -56,-0.2 -0.095 11.4-128.2 -58.3 146.0 50.1 96.4 101.5 102 102 A Q H > S+ 0 0 42 -57,-1.2 4,-3.0 -58,-0.6 5,-0.2 0.888 112.4 58.6 -56.0 -39.7 51.6 95.2 104.7 103 103 A T H > S+ 0 0 23 -59,-1.6 4,-2.4 1,-0.2 -1,-0.2 0.911 107.7 44.8 -57.8 -43.9 52.8 98.8 105.2 104 104 A E H > S+ 0 0 59 -60,-0.3 4,-2.8 -3,-0.2 -2,-0.2 0.915 113.1 50.7 -66.7 -44.2 49.2 100.1 105.1 105 105 A V H X S+ 0 0 4 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.899 111.7 48.1 -59.4 -42.6 48.0 97.3 107.4 106 106 A T H X S+ 0 0 5 -4,-3.0 4,-2.7 2,-0.2 -2,-0.2 0.929 111.1 50.7 -64.3 -44.9 50.8 98.2 109.9 107 107 A R H X S+ 0 0 54 -4,-2.4 4,-2.3 -5,-0.2 -2,-0.2 0.926 111.0 49.0 -57.1 -47.5 49.9 101.8 109.6 108 108 A D H X S+ 0 0 11 -4,-2.8 4,-1.7 1,-0.2 -1,-0.2 0.862 111.7 48.4 -61.3 -40.4 46.3 101.0 110.3 109 109 A L H X S+ 0 0 1 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.903 110.9 50.6 -68.6 -40.9 47.2 98.8 113.3 110 110 A M H X S+ 0 0 22 -4,-2.7 4,-2.7 2,-0.2 5,-0.2 0.907 110.2 48.9 -64.2 -42.5 49.5 101.5 114.8 111 111 A E H X S+ 0 0 106 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.901 113.1 49.4 -63.5 -38.5 46.8 104.2 114.5 112 112 A A H X S+ 0 0 25 -4,-1.7 4,-1.5 -5,-0.2 -2,-0.2 0.883 113.5 44.2 -67.9 -40.5 44.3 101.9 116.2 113 113 A R H <>S+ 0 0 3 -4,-2.4 5,-1.3 2,-0.2 4,-0.5 0.902 113.7 50.5 -71.8 -40.1 46.6 101.0 119.0 114 114 A E H ><5S+ 0 0 150 -4,-2.7 3,-0.9 1,-0.2 -2,-0.2 0.901 109.5 52.6 -62.6 -41.8 47.7 104.6 119.6 115 115 A A H 3<5S+ 0 0 78 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.863 109.2 47.0 -64.9 -37.9 44.1 105.7 119.7 116 116 A C T 3<5S- 0 0 48 -4,-1.5 -1,-0.2 -5,-0.1 -2,-0.2 0.446 107.8-121.6 -86.7 1.7 43.0 103.2 122.3 117 117 A G T < 5 + 0 0 59 -3,-0.9 -3,-0.2 -4,-0.5 -2,-0.1 0.639 52.0 162.0 71.5 13.7 45.9 104.0 124.6 118 118 A A < - 0 0 22 -5,-1.3 2,-0.5 1,-0.1 -1,-0.2 -0.253 48.1 -90.4 -62.3 157.9 47.3 100.4 124.7 119 119 A T E +f 29 0B 59 -91,-0.6 -89,-2.3 2,-0.0 2,-0.4 -0.608 52.0 161.4 -82.7 122.3 50.9 100.1 125.8 120 120 A T E -f 30 0B 38 -2,-0.5 2,-0.7 -91,-0.2 -89,-0.2 -0.981 19.6-162.7-139.4 122.9 53.7 100.3 123.3 121 121 A V E -f 31 0B 14 -91,-3.2 -89,-3.1 -2,-0.4 3,-0.5 -0.908 12.9-167.7-108.9 105.7 57.3 101.0 124.2 122 122 A Y S S+ 0 0 38 -2,-0.7 -87,-0.2 1,-0.2 -89,-0.2 -0.494 70.3 32.1 -87.6 162.2 59.3 102.0 121.1 123 123 A Q S S+ 0 0 121 -89,-2.2 2,-1.1 -91,-0.3 -90,-0.3 0.823 75.5 165.8 59.0 32.1 63.1 102.2 121.2 124 124 A A - 0 0 0 -92,-3.1 3,-0.4 -3,-0.5 -1,-0.2 -0.708 21.2-161.8 -80.3 102.1 63.1 99.4 123.7 125 125 A A E +B 142 0A 42 17,-2.5 17,-2.9 -2,-1.1 -91,-0.0 -0.482 56.1 12.8 -89.1 158.7 66.8 98.4 123.5 126 126 A E E S- 0 0 92 15,-0.2 -1,-0.2 1,-0.2 14,-0.1 0.836 76.0-165.1 47.1 46.2 68.5 95.2 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0, 0.0 3,-0.7 0, 0.0 5,-0.6 -0.405 34.9-117.4 -72.1 160.6 59.4 83.1 99.4 293 293 A P G > 5S+ 0 0 53 0, 0.0 3,-1.5 0, 0.0 -25,-0.1 0.624 93.0 95.6 -72.4 -14.9 57.2 86.0 98.1 294 294 A T G 3 5S+ 0 0 0 1,-0.3 50,-0.1 2,-0.1 49,-0.0 0.827 94.9 31.4 -46.9 -43.2 55.8 83.9 95.2 295 295 A G G < 5S- 0 0 2 -3,-0.7 -1,-0.3 44,-0.1 48,-0.1 0.485 100.7-130.1 -96.8 0.1 52.7 82.9 97.2 296 296 A A T < 5 + 0 0 23 -3,-1.5 4,-0.4 -4,-0.2 -249,-0.4 0.874 65.5 135.2 53.5 39.5 52.5 86.1 99.2 297 297 A K >< + 0 0 6 -5,-0.6 4,-2.3 2,-0.1 5,-0.3 0.570 39.7 85.3 -94.6 -9.9 52.2 83.9 102.3 298 298 A G H > S+ 0 0 24 -6,-0.2 4,-1.6 1,-0.2 3,-0.2 0.962 96.7 37.8 -55.4 -58.0 54.6 85.7 104.6 299 299 A L H > S+ 0 0 14 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.861 116.8 54.6 -62.1 -36.4 52.1 88.3 105.9 300 300 A N H > S+ 0 0 2 -4,-0.4 4,-2.2 1,-0.2 -1,-0.2 0.813 105.5 50.5 -69.4 -33.0 49.3 85.7 105.9 301 301 A L H X S+ 0 0 3 -4,-2.3 4,-2.7 -3,-0.2 -16,-0.4 0.841 106.4 56.1 -73.6 -32.3 51.2 83.2 108.1 302 302 A A H X S+ 0 0 8 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0 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.881 109.7 52.8 -72.8 -38.2 44.6 79.6 122.7 313 313 A L H X S+ 0 0 2 -4,-2.7 4,-2.8 -5,-0.2 5,-0.2 0.890 107.0 53.8 -63.2 -37.3 45.4 82.5 125.1 314 314 A L H X S+ 0 0 27 -4,-2.1 4,-3.3 1,-0.2 5,-0.5 0.924 107.1 50.4 -61.4 -45.2 41.6 83.1 125.3 315 315 A K H X S+ 0 0 54 -4,-1.6 6,-2.4 2,-0.2 4,-1.5 0.871 112.1 48.8 -60.6 -38.6 41.0 79.4 126.3 316 316 A A H X S+ 0 0 11 -4,-2.0 4,-1.0 5,-0.3 6,-0.4 0.971 119.3 35.7 -66.3 -53.9 43.7 79.8 129.0 317 317 A Y H < S+ 0 0 64 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.826 129.9 30.1 -71.9 -34.9 42.4 83.1 130.4 318 318 A R H < S+ 0 0 167 -4,-3.3 -3,-0.2 -5,-0.2 -1,-0.2 0.627 133.6 26.6-103.3 -12.8 38.6 82.5 130.1 319 319 A E H < S- 0 0 101 -4,-1.5 -3,-0.2 -5,-0.5 -2,-0.2 0.380 94.9-123.7-126.4 -0.6 38.4 78.7 130.4 320 320 A G < + 0 0 59 -4,-1.0 3,-0.3 -6,-0.2 -4,-0.3 0.764 69.3 135.5 61.1 24.3 41.4 77.9 132.5 321 321 A R > + 0 0 76 -6,-2.4 3,-2.5 1,-0.2 4,-0.3 -0.232 11.4 144.6 -96.5 42.3 42.5 75.6 129.6 322 322 A G G > + 0 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0 2 -4,-2.5 4,-3.0 -5,-0.2 3,-0.2 0.898 110.9 55.7 -60.0 -43.7 50.7 76.4 113.5 333 333 A L H X S+ 0 0 19 -4,-3.2 4,-3.1 1,-0.2 5,-0.3 0.849 100.1 58.7 -61.0 -36.5 53.3 74.1 111.9 334 334 A R H X S+ 0 0 107 -4,-1.4 4,-1.3 -5,-0.3 -1,-0.2 0.932 114.9 37.4 -59.9 -41.2 50.6 72.1 110.0 335 335 A R H X S+ 0 0 35 -4,-1.2 4,-2.1 -3,-0.2 -2,-0.2 0.885 115.2 53.9 -76.3 -39.0 49.5 75.3 108.4 336 336 A I H X S+ 0 0 0 -4,-3.0 4,-2.8 1,-0.2 5,-0.2 0.936 108.7 49.1 -61.3 -46.7 53.0 76.7 108.0 337 337 A W H X S+ 0 0 92 -4,-3.1 4,-2.6 1,-0.2 -1,-0.2 0.893 110.6 49.8 -62.9 -37.8 54.2 73.6 106.2 338 338 A K H X S+ 0 0 119 -4,-1.3 4,-2.5 -5,-0.3 -1,-0.2 0.884 112.9 47.3 -67.8 -35.3 51.3 73.6 103.8 339 339 A A H X S+ 0 0 12 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.884 112.1 49.8 -70.2 -39.5 52.0 77.3 103.0 340 340 A E H X S+ 0 0 7 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.902 111.7 50.1 -64.1 -40.4 55.7 76.5 102.6 341 341 A R H X S+ 0 0 110 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.936 113.2 43.5 -63.7 -49.6 54.7 73.6 100.3 342 342 A F H X S+ 0 0 3 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.901 114.5 50.7 -63.4 -40.7 52.4 75.8 98.1 343 343 A S H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.893 111.5 48.7 -63.1 -40.5 55.0 78.6 98.1 344 344 A W H X S+ 0 0 118 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.907 110.9 50.2 -65.4 -43.3 57.6 76.1 97.0 345 345 A W H X S+ 0 0 15 -4,-2.6 4,-2.2 2,-0.2 5,-0.2 0.946 110.9 48.4 -61.0 -48.8 55.3 74.8 94.3 346 346 A M H X S+ 0 0 3 -4,-2.7 4,-1.4 1,-0.2 -1,-0.2 0.890 113.3 48.3 -57.5 -42.3 54.6 78.2 92.9 347 347 A T H X S+ 0 0 0 -4,-2.0 4,-1.6 -5,-0.2 -1,-0.2 0.912 110.8 51.3 -66.2 -42.1 58.2 79.1 92.9 348 348 A S H < S+ 0 0 29 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.857 114.0 41.2 -64.7 -40.3 59.2 75.9 91.2 349 349 A V H < S+ 0 0 4 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.708 118.4 44.6 -83.5 -19.1 56.7 76.2 88.3 350 350 A L H < S+ 0 0 1 -4,-1.4 -146,-0.4 -5,-0.2 2,-0.2 0.710 100.5 70.8 -99.5 -21.1 57.2 79.9 87.6 351 351 A H S < S- 0 0 1 -4,-1.6 2,-0.6 -5,-0.2 -144,-0.1 -0.582 72.5-122.7-102.8 162.1 60.9 80.5 87.7 352 352 A R - 0 0 143 -2,-0.2 -144,-0.1 -146,-0.1 -3,-0.1 -0.878 31.1-156.1 -97.7 118.2 63.9 79.6 85.6 353 353 A F > - 0 0 54 -2,-0.6 3,-0.9 -5,-0.1 -170,-0.1 -0.767 23.6-102.3 -97.3 144.9 66.4 77.7 87.6 354 354 A P T 3 S+ 0 0 70 0, 0.0 -1,-0.1 0, 0.0 -171,-0.0 -0.345 98.6 10.2 -67.5 143.6 70.2 77.6 86.7 355 355 A D T 3 S+ 0 0 167 1,-0.2 2,-0.3 -2,-0.1 0, 0.0 0.812 84.8 163.5 60.6 34.9 71.6 74.6 84.9 356 356 A T < - 0 0 68 -3,-0.9 -1,-0.2 1,-0.1 2,-0.1 -0.649 29.1-135.0 -84.1 138.3 68.2 73.0 84.3 357 357 A D > - 0 0 96 -2,-0.3 4,-2.0 1,-0.1 5,-0.2 -0.336 26.8 -97.8 -87.8 173.7 68.1 70.3 81.7 358 358 A A H > S+ 0 0 83 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.853 121.2 54.3 -58.5 -39.2 65.6 69.8 78.8 359 359 A F H > S+ 0 0 149 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.930 107.7 49.2 -63.8 -45.0 63.6 67.2 80.8 360 360 A S H > S+ 0 0 56 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.922 109.1 53.4 -59.8 -44.2 63.1 69.6 83.7 361 361 A Q H X S+ 0 0 65 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.897 111.6 45.2 -56.9 -43.7 62.0 72.4 81.4 362 362 A R H X S+ 0 0 164 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.852 110.4 53.4 -70.5 -35.9 59.4 70.1 79.8 363 363 A I H X S+ 0 0 80 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.923 109.7 49.6 -64.4 -41.5 58.2 68.8 83.2 364 364 A Q H X S+ 0 0 35 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.913 110.6 48.2 -63.4 -44.7 57.7 72.5 84.4 365 365 A Q H X S+ 0 0 42 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.865 112.5 49.9 -63.8 -35.6 55.7 73.4 81.3 366 366 A T H X S+ 0 0 79 -4,-2.0 4,-3.2 2,-0.2 5,-0.3 0.824 104.2 58.4 -72.8 -31.9 53.6 70.3 81.7 367 367 A E H X S+ 0 0 63 -4,-2.0 4,-2.6 2,-0.2 5,-0.3 0.951 110.7 43.0 -60.4 -48.4 53.0 71.2 85.4 368 368 A L H X S+ 0 0 0 -4,-1.9 4,-2.4 1,-0.2 5,-0.3 0.943 114.9 49.9 -62.9 -47.4 51.5 74.5 84.3 369 369 A E H X S+ 0 0 96 -4,-2.3 4,-1.1 2,-0.2 -2,-0.2 0.924 115.1 43.1 -57.7 -47.9 49.5 72.9 81.4 370 370 A Y H X S+ 0 0 123 -4,-3.2 4,-0.8 2,-0.2 3,-0.4 0.966 117.0 43.6 -64.7 -54.6 48.1 70.2 83.7 371 371 A Y H < S+ 0 0 59 -4,-2.6 3,-0.3 -5,-0.3 -2,-0.2 0.858 118.7 43.2 -61.9 -37.2 47.2 72.3 86.7 372 372 A L H < S+ 0 0 9 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.652 116.0 49.3 -83.5 -14.8 45.7 75.2 84.6 373 373 A G H < S+ 0 0 54 -4,-1.1 2,-0.4 -3,-0.4 -1,-0.2 0.430 100.5 72.0-103.6 0.2 43.8 72.8 82.3 374 374 A S X - 0 0 26 -4,-0.8 4,-2.9 -3,-0.3 5,-0.2 -0.921 69.2-142.7-117.3 141.7 42.2 70.6 84.9 375 375 A E H > S+ 0 0 112 -2,-0.4 4,-1.8 2,-0.2 -1,-0.1 0.905 108.1 46.4 -68.0 -40.3 39.3 71.6 87.2 376 376 A A H > S+ 0 0 62 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.936 114.3 48.9 -65.7 -44.3 40.8 69.6 90.1 377 377 A G H > S+ 0 0 2 1,-0.2 4,-1.7 -7,-0.2 -2,-0.2 0.926 110.4 49.3 -59.6 -47.2 44.2 71.1 89.3 378 378 A L H X S+ 0 0 16 -4,-2.9 4,-2.7 1,-0.2 -1,-0.2 0.858 108.8 55.7 -59.9 -35.3 42.7 74.7 89.2 379 379 A A H X S+ 0 0 33 -4,-1.8 4,-2.9 2,-0.2 5,-0.3 0.893 102.4 53.7 -66.1 -41.5 41.0 73.9 92.5 380 380 A T H X S+ 0 0 50 -4,-2.0 4,-1.4 1,-0.2 -1,-0.2 0.916 112.9 45.1 -60.8 -39.9 44.3 73.0 94.2 381 381 A I H X S+ 0 0 3 -4,-1.7 4,-2.9 -10,-0.2 -2,-0.2 0.951 115.3 46.5 -66.3 -50.0 45.7 76.3 93.2 382 382 A A H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 5,-0.3 0.929 110.8 49.2 -59.5 -51.6 42.6 78.3 94.2 383 383 A E H < S+ 0 0 105 -4,-2.9 4,-0.4 1,-0.2 -1,-0.2 0.871 116.7 44.2 -60.5 -35.1 42.1 76.8 97.6 384 384 A N H < S+ 0 0 12 -4,-1.4 4,-0.3 -5,-0.3 3,-0.3 0.905 112.0 51.9 -74.6 -41.6 45.7 77.4 98.4 385 385 A Y H < S+ 0 0 7 -4,-2.9 -2,-0.2 1,-0.2 -3,-0.2 0.886 112.3 43.3 -65.0 -41.2 45.9 80.9 97.0 386 386 A V S < S- 0 0 1 -4,-2.4 -336,-1.2 -5,-0.2 -335,-0.5 0.645 129.1 -97.4 -78.6 -11.1 42.9 82.2 98.9 387 387 A G - 0 0 5 -4,-0.4 -2,-0.1 -5,-0.3 -3,-0.1 0.404 33.3 -94.7 100.6 124.6 44.3 80.4 102.0 388 388 A L - 0 0 37 -4,-0.3 -337,-0.1 1,-0.1 3,-0.1 -0.216 58.8 -80.2 -62.8 157.5 43.4 77.0 103.4 389 389 A P - 0 0 108 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.347 49.8-107.1 -63.2 138.5 40.8 76.9 106.2 390 390 A Y - 0 0 65 -3,-0.1 2,-0.4 1,-0.1 -86,-0.0 -0.400 35.2-110.8 -64.7 140.5 42.0 77.8 109.7 391 391 A E - 0 0 72 1,-0.1 -1,-0.1 -60,-0.1 3,-0.1 -0.627 21.0-139.3 -76.1 125.4 42.3 74.8 112.0 392 392 A E - 0 0 175 -2,-0.4 -1,-0.1 1,-0.1 -2,-0.1 0.577 39.3-121.8 -62.4 -14.0 39.6 75.1 114.7 393 393 A I 0 0 6 1,-0.2 -1,-0.1 -66,-0.0 -69,-0.0 0.256 360.0 360.0 82.8 149.7 41.9 73.9 117.5 394 394 A E 0 0 132 -70,-0.1 -1,-0.2 -3,-0.1 -2,-0.0 -0.025 360.0 360.0 71.3 360.0 41.3 70.9 119.9