==== 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 22-NOV-95 1IUS . COMPND 2 MOLECULE: P-HYDROXYBENZOATE HYDROXYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR D.L.GATTI,B.ENTSCH,D.P.BALLOU,M.L.LUDWIG . 394 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17437.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 283 71.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 23 5.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 70 17.8 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 . 23 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 117 29.7 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 3 0 2 0 0 1 0 2 1 0 0 1 1 0 0 0 0 1 0 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 2 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 1 2 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 0 113 0, 0.0 150,-2.7 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 133.1 22.6 106.0 84.0 2 2 A K B +a 151 0A 137 148,-0.2 2,-0.3 136,-0.0 150,-0.2 -0.959 360.0 158.7-140.8 154.2 20.2 103.1 83.8 3 3 A T - 0 0 8 148,-2.0 3,-0.2 -2,-0.3 25,-0.1 -0.869 42.1-116.5-152.9-178.0 17.7 101.5 81.5 4 4 A Q S S+ 0 0 51 23,-0.5 149,-2.7 1,-0.3 150,-1.7 0.864 100.1 22.0 -95.3 -50.8 16.0 98.1 81.1 5 5 A V E -de 28 154B 1 22,-1.8 24,-1.8 148,-0.2 2,-0.5 -0.959 69.1-154.5-123.5 119.9 17.3 97.2 77.6 6 6 A A E -de 29 155B 0 148,-2.7 150,-2.6 -2,-0.5 2,-0.5 -0.785 12.3-158.2 -90.1 133.4 20.5 98.7 76.2 7 7 A I E -de 30 156B 0 22,-3.4 24,-3.1 -2,-0.5 2,-0.7 -0.952 4.3-155.7-118.7 117.3 20.5 98.6 72.4 8 8 A I E +de 31 157B 7 148,-2.2 150,-2.0 -2,-0.5 24,-0.2 -0.853 65.9 27.9 -92.8 114.0 23.9 98.8 70.5 9 9 A G - 0 0 6 22,-3.9 23,-0.2 -2,-0.7 150,-0.1 0.401 57.4-142.1 107.7 125.7 23.3 100.2 67.1 10 10 A A + 0 0 0 4,-0.2 -1,-0.1 20,-0.1 22,-0.1 -0.220 61.9 115.7-110.6 38.6 20.8 102.6 65.5 11 11 A G S > S- 0 0 16 147,-0.5 4,-2.2 29,-0.0 5,-0.3 -0.259 93.6 -71.0 -87.1-168.2 20.4 100.9 62.1 12 12 A P H > S+ 0 0 19 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.864 133.1 54.1 -55.9 -36.7 17.0 99.5 61.2 13 13 A S H > S+ 0 0 14 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.958 111.4 41.5 -60.4 -59.6 17.3 96.6 63.7 14 14 A G H > S+ 0 0 0 144,-0.5 4,-2.2 1,-0.2 -1,-0.2 0.869 117.1 48.2 -58.7 -39.7 18.1 98.7 66.8 15 15 A L H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 5,-0.2 0.922 112.1 48.3 -69.3 -44.9 15.4 101.3 65.9 16 16 A L H X S+ 0 0 3 -4,-2.5 4,-2.9 -5,-0.3 5,-0.2 0.947 114.8 45.2 -61.1 -46.7 12.7 98.8 65.2 17 17 A L H X S+ 0 0 0 -4,-2.5 4,-2.8 -5,-0.2 -1,-0.2 0.907 113.0 51.3 -63.1 -41.1 13.4 96.9 68.4 18 18 A G H X S+ 0 0 0 -4,-2.2 4,-2.1 -5,-0.2 -1,-0.2 0.900 112.2 46.3 -63.2 -41.0 13.6 100.2 70.4 19 19 A Q H X S+ 0 0 6 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.925 112.5 48.9 -67.4 -48.5 10.2 101.3 68.9 20 20 A L H X S+ 0 0 2 -4,-2.9 4,-0.9 1,-0.2 -2,-0.2 0.969 114.1 47.4 -55.6 -49.4 8.5 98.1 69.6 21 21 A L H <>S+ 0 0 0 -4,-2.8 5,-2.4 -5,-0.2 3,-0.5 0.848 109.6 52.6 -60.5 -40.1 9.9 98.0 73.1 22 22 A H H ><5S+ 0 0 61 -4,-2.1 3,-2.6 1,-0.2 -1,-0.2 0.962 103.7 55.6 -62.1 -52.6 8.9 101.6 73.8 23 23 A K H 3<5S+ 0 0 144 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.690 109.2 49.7 -54.0 -21.1 5.3 101.1 72.8 24 24 A A T 3<5S- 0 0 38 -4,-0.9 -1,-0.3 -3,-0.5 -2,-0.2 0.315 121.9-101.9-102.0 5.6 5.0 98.3 75.3 25 25 A G T < 5S+ 0 0 56 -3,-2.6 2,-0.8 1,-0.2 -3,-0.2 0.513 77.7 132.5 89.0 6.9 6.4 100.2 78.3 26 26 A I < - 0 0 6 -5,-2.4 -1,-0.2 -6,-0.2 -2,-0.2 -0.804 52.5-135.5 -97.6 108.9 9.9 98.7 78.3 27 27 A D + 0 0 95 -2,-0.8 -22,-1.8 -3,-0.1 -23,-0.5 -0.331 31.0 172.3 -61.5 146.2 12.5 101.4 78.6 28 28 A N E -d 5 0B 6 -24,-0.2 91,-0.5 -25,-0.1 2,-0.4 -0.985 22.8-150.2-154.6 150.1 15.5 101.1 76.2 29 29 A V E -d 6 0B 6 -24,-1.8 -22,-3.4 -2,-0.3 2,-0.4 -0.995 12.5-148.1-125.4 130.9 18.5 103.2 75.3 30 30 A I E -df 7 120B 0 89,-1.6 91,-2.8 -2,-0.4 2,-0.5 -0.855 7.5-162.3-100.5 136.0 20.1 103.1 71.8 31 31 A L E -df 8 121B 2 -24,-3.1 -22,-3.9 -2,-0.4 2,-0.4 -0.974 11.0-177.7-115.9 125.4 23.9 103.7 71.5 32 32 A E - 0 0 18 89,-2.7 92,-2.6 -2,-0.5 91,-0.3 -0.994 23.8-154.0-129.2 134.0 25.2 104.5 68.0 33 33 A R S S+ 0 0 162 -2,-0.4 -1,-0.1 90,-0.3 89,-0.0 0.868 78.4 53.1 -68.7 -41.8 28.9 105.1 66.9 34 34 A Q S S- 0 0 54 89,-0.1 89,-1.9 1,-0.1 90,-0.2 -0.093 91.0 -92.2 -87.2-173.2 28.1 107.3 63.9 35 35 A T > - 0 0 45 87,-0.2 4,-2.3 88,-0.1 5,-0.2 -0.651 36.1-109.5 -97.6 159.3 26.0 110.4 63.4 36 36 A P H > S+ 0 0 43 0, 0.0 4,-1.8 0, 0.0 -1,-0.1 0.848 120.5 52.4 -56.6 -33.6 22.3 110.5 62.3 37 37 A D H > S+ 0 0 130 2,-0.2 4,-0.7 1,-0.2 -3,-0.0 0.925 106.1 50.3 -70.2 -44.4 23.5 111.7 58.9 38 38 A Y H >> S+ 0 0 132 1,-0.2 3,-1.7 2,-0.2 4,-0.5 0.955 111.0 50.7 -59.8 -47.0 26.1 109.0 58.3 39 39 A V H >< S+ 0 0 7 -4,-2.3 3,-1.2 1,-0.3 -1,-0.2 0.905 108.4 51.9 -57.8 -42.4 23.5 106.4 59.1 40 40 A L H 3< S+ 0 0 52 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.586 96.2 72.3 -71.2 -10.4 21.0 108.0 56.7 41 41 A G H << S+ 0 0 49 -3,-1.7 2,-0.4 -4,-0.7 -1,-0.2 0.708 72.2 98.1 -76.9 -21.6 23.7 107.9 54.0 42 42 A R << - 0 0 66 -3,-1.2 -3,-0.0 -4,-0.5 -4,-0.0 -0.546 50.5-173.0 -71.5 125.5 23.5 104.1 53.5 43 43 A I + 0 0 23 -2,-0.4 59,-0.6 59,-0.1 60,-0.5 0.963 35.7 129.8 -81.4 -61.9 21.3 103.2 50.5 44 44 A R + 0 0 126 58,-0.1 -1,-0.1 57,-0.1 59,-0.0 -0.089 49.0 38.9 49.3-132.0 21.1 99.4 50.8 45 45 A A + 0 0 26 1,-0.1 57,-2.5 56,-0.1 58,-0.3 -0.031 38.0 167.3 -55.3 149.5 17.8 97.5 50.8 46 46 A G + 0 0 8 55,-0.2 54,-1.8 1,-0.1 2,-0.5 0.519 57.8 76.1-133.3 -17.9 14.8 98.2 48.7 47 47 A V E -I 99 0C 13 52,-0.2 2,-0.4 50,-0.0 52,-0.2 -0.869 54.1-171.6-110.5 125.4 12.5 95.1 49.1 48 48 A L E -I 98 0C 0 50,-3.5 50,-2.9 -2,-0.5 2,-0.1 -0.908 18.5-129.4-116.7 138.7 10.4 94.3 52.1 49 49 A E E >> -I 97 0C 5 -2,-0.4 4,-1.9 48,-0.2 3,-1.0 -0.426 30.0-108.1 -78.1 161.9 8.5 91.1 52.9 50 50 A Q H 3> S+ 0 0 56 336,-0.8 4,-2.0 46,-0.6 5,-0.2 0.898 119.3 55.9 -55.7 -45.5 4.8 91.2 54.0 51 51 A G H 3> S+ 0 0 21 335,-0.4 4,-1.3 1,-0.2 -1,-0.3 0.775 105.8 49.3 -60.2 -31.1 5.8 90.3 57.5 52 52 A M H <> S+ 0 0 3 -3,-1.0 4,-2.2 2,-0.2 -1,-0.2 0.856 107.0 55.6 -77.5 -34.5 8.2 93.3 57.8 53 53 A V H X S+ 0 0 10 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.921 109.6 48.0 -60.9 -41.2 5.4 95.6 56.5 54 54 A D H X S+ 0 0 66 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.846 108.7 52.6 -69.3 -34.0 3.2 94.3 59.3 55 55 A L H X S+ 0 0 4 -4,-1.3 4,-1.9 2,-0.2 -1,-0.2 0.882 107.1 52.6 -69.1 -37.7 5.8 94.8 62.0 56 56 A L H <>S+ 0 0 2 -4,-2.2 5,-2.5 1,-0.2 -2,-0.2 0.911 110.4 48.9 -63.1 -40.0 6.3 98.4 60.8 57 57 A R H ><5S+ 0 0 134 -4,-1.8 3,-1.6 1,-0.2 -2,-0.2 0.900 108.5 52.6 -64.3 -43.3 2.5 98.8 61.2 58 58 A E H 3<5S+ 0 0 83 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.842 108.0 50.9 -63.3 -31.8 2.6 97.2 64.7 59 59 A A T 3<5S- 0 0 2 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.402 114.6-123.9 -84.0 0.8 5.4 99.7 65.6 60 60 A G T < 5S+ 0 0 48 -3,-1.6 -3,-0.2 -5,-0.1 3,-0.2 0.743 80.5 114.9 63.1 30.2 3.0 102.4 64.3 61 61 A V < + 0 0 14 -5,-2.5 4,-0.2 -6,-0.2 -4,-0.2 -0.307 40.1 99.2-123.6 49.4 5.6 103.7 61.9 62 62 A D > + 0 0 40 -5,-0.2 4,-2.5 -6,-0.1 5,-0.2 0.303 43.9 100.8-119.5 10.8 3.9 102.9 58.6 63 63 A R H > S+ 0 0 157 2,-0.2 4,-1.4 -3,-0.2 5,-0.1 0.986 90.6 37.3 -59.9 -63.7 2.2 106.2 57.5 64 64 A R H > S+ 0 0 61 1,-0.2 4,-3.1 2,-0.2 5,-0.4 0.863 116.4 54.9 -58.3 -37.6 4.8 107.2 54.9 65 65 A M H > S+ 0 0 11 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.936 105.4 51.0 -62.8 -45.2 5.3 103.6 53.8 66 66 A A H < S+ 0 0 79 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.819 117.9 41.8 -62.1 -26.8 1.6 103.1 53.1 67 67 A R H < S+ 0 0 138 -4,-1.4 -2,-0.2 -5,-0.2 -1,-0.2 0.943 129.0 21.6 -83.6 -53.5 1.7 106.3 51.0 68 68 A D H < S+ 0 0 72 -4,-3.1 -3,-0.2 -5,-0.1 -2,-0.2 0.617 94.3 102.9 -94.4 -21.5 4.9 106.0 49.1 69 69 A G < - 0 0 16 -4,-2.6 2,-0.5 -5,-0.4 31,-0.2 -0.399 64.1-134.3 -68.1 144.3 5.8 102.3 49.1 70 70 A L E -J 99 0C 53 29,-2.3 29,-2.9 144,-0.1 2,-0.4 -0.890 12.1-145.5-101.7 123.9 5.1 100.3 45.9 71 71 A V E -J 98 0C 89 -2,-0.5 2,-0.4 27,-0.2 27,-0.2 -0.740 16.3-157.8 -87.5 132.9 3.4 96.9 46.4 72 72 A H E -J 97 0C 10 25,-3.1 25,-1.8 -2,-0.4 126,-0.1 -0.960 21.9-179.2-116.5 135.6 4.7 94.3 43.9 73 73 A E S S+ 0 0 87 -2,-0.4 16,-1.4 23,-0.2 15,-1.1 0.407 73.3 24.8-106.7 -6.4 2.8 91.2 42.9 74 74 A G E -K 87 0D 1 13,-0.2 125,-0.4 14,-0.2 2,-0.3 -0.929 55.8-162.5-149.5 173.9 5.4 89.9 40.5 75 75 A V E -K 86 0D 5 11,-1.1 11,-2.4 -2,-0.3 2,-0.4 -0.944 22.4-128.3-156.7 149.5 9.1 90.0 39.7 76 76 A E E -Kl 85 200D 22 123,-3.0 125,-3.0 -2,-0.3 2,-0.5 -0.893 10.8-162.6-114.1 149.3 10.9 89.0 36.4 77 77 A I E -Kl 84 201D 6 7,-2.7 7,-1.9 -2,-0.4 2,-0.4 -0.988 11.4-164.6-128.5 116.4 13.8 86.7 35.7 78 78 A A E +Kl 83 202D 2 123,-3.0 125,-2.9 -2,-0.5 2,-0.3 -0.876 19.9 150.7-104.3 136.0 15.5 87.1 32.4 79 79 A F + 0 0 6 3,-2.7 3,-0.4 -2,-0.4 125,-0.1 -0.968 60.0 2.4-161.9 144.5 17.8 84.5 31.0 80 80 A A S S- 0 0 67 123,-0.5 124,-0.1 -2,-0.3 3,-0.1 0.809 130.1 -47.2 45.5 46.3 18.9 83.2 27.5 81 81 A G S S+ 0 0 80 1,-0.2 2,-0.3 0, 0.0 -1,-0.2 0.912 119.3 92.4 68.6 43.0 16.9 85.8 25.6 82 82 A Q - 0 0 77 -3,-0.4 -3,-2.7 2,-0.0 2,-0.4 -0.936 59.5-144.7-165.4 139.1 13.6 85.4 27.4 83 83 A R E -K 78 0D 74 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.888 15.7-164.6-105.2 139.8 11.9 87.1 30.4 84 84 A R E -K 77 0D 77 -7,-1.9 -7,-2.7 -2,-0.4 2,-0.4 -0.999 8.7-146.3-127.9 130.1 9.8 85.0 32.7 85 85 A R E -K 76 0D 114 -2,-0.4 2,-0.6 -9,-0.2 -9,-0.2 -0.831 3.5-154.0 -98.6 135.8 7.4 86.5 35.1 86 86 A I E -K 75 0D 1 -11,-2.4 2,-1.3 -2,-0.4 -11,-1.1 -0.955 13.0-141.7-106.9 119.9 6.7 84.9 38.5 87 87 A D E > -K 74 0D 44 -2,-0.6 4,-2.5 1,-0.2 -13,-0.2 -0.729 21.0-178.0 -84.3 96.9 3.3 85.8 39.9 88 88 A L H > S+ 0 0 0 -2,-1.3 4,-2.3 -15,-1.1 7,-0.3 0.958 79.5 49.4 -59.1 -53.4 4.1 86.2 43.6 89 89 A K H 4>S+ 0 0 81 -16,-1.4 5,-4.3 5,-0.2 4,-0.4 0.900 117.7 39.4 -53.4 -48.2 0.5 86.9 44.6 90 90 A R H >45S+ 0 0 146 -17,-0.3 3,-1.4 3,-0.2 -2,-0.2 0.996 119.9 43.8 -67.6 -58.0 -1.0 84.0 42.7 91 91 A L H 3<5S+ 0 0 28 -4,-2.5 292,-0.2 1,-0.3 -2,-0.2 0.640 117.2 43.6 -64.7 -21.1 1.8 81.4 43.4 92 92 A S T 3<5S- 0 0 22 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.414 119.1-103.2-105.3 1.1 2.2 82.2 47.1 93 93 A G T < 5S- 0 0 65 -3,-1.4 -3,-0.2 -4,-0.4 -2,-0.1 0.919 84.2 -35.0 80.4 42.5 -1.5 82.4 47.8 94 94 A G S - 0 0 1 113,-0.3 4,-2.1 -2,-0.3 -55,-0.2 -0.087 14.7-129.5 -52.2 148.2 14.1 102.1 50.5 102 102 A Q H > S+ 0 0 17 -57,-2.5 4,-2.2 -59,-0.6 5,-0.2 0.817 109.7 61.5 -67.4 -29.2 16.0 101.2 53.7 103 103 A T H > S+ 0 0 26 -60,-0.5 4,-2.0 -58,-0.3 -1,-0.2 0.931 106.7 44.8 -62.3 -44.0 17.0 104.8 53.9 104 104 A E H > S+ 0 0 46 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.918 110.6 51.9 -67.4 -47.9 13.3 105.8 54.2 105 105 A V H X S+ 0 0 2 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.907 112.5 48.0 -55.5 -40.7 12.4 103.1 56.7 106 106 A T H X S+ 0 0 6 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.900 110.1 50.8 -69.2 -37.3 15.3 104.3 58.9 107 107 A R H X S+ 0 0 70 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.889 109.6 51.6 -64.4 -42.4 14.2 107.9 58.6 108 108 A D H X S+ 0 0 13 -4,-2.7 4,-1.9 2,-0.2 -1,-0.2 0.862 111.5 45.8 -62.8 -42.3 10.7 107.0 59.6 109 109 A L H X S+ 0 0 1 -4,-1.8 4,-2.5 -5,-0.2 -2,-0.2 0.885 111.6 52.8 -68.9 -39.9 11.9 105.1 62.7 110 110 A M H X S+ 0 0 29 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.884 111.7 45.0 -62.6 -43.4 14.3 107.9 63.7 111 111 A E H X S+ 0 0 87 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.895 113.3 50.7 -67.1 -41.8 11.6 110.5 63.5 112 112 A A H X S+ 0 0 23 -4,-1.9 4,-1.5 1,-0.2 -2,-0.2 0.889 111.3 48.4 -64.1 -38.6 9.2 108.3 65.5 113 113 A R H X>S+ 0 0 3 -4,-2.5 5,-1.3 2,-0.2 4,-0.7 0.916 110.8 50.8 -69.4 -41.8 11.9 107.7 68.1 114 114 A E H ><5S+ 0 0 165 -4,-2.2 3,-1.1 1,-0.2 -2,-0.2 0.942 108.9 50.9 -60.8 -46.3 12.5 111.5 68.4 115 115 A A H 3<5S+ 0 0 88 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.826 107.7 52.5 -60.2 -36.1 8.9 112.4 68.8 116 116 A C H 3<5S- 0 0 65 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.628 108.5-125.7 -75.4 -15.1 8.4 109.8 71.6 117 117 A G T <<5 + 0 0 64 -3,-1.1 -3,-0.2 -4,-0.7 -2,-0.1 0.630 50.8 160.5 79.6 17.1 11.3 111.3 73.5 118 118 A A < - 0 0 18 -5,-1.3 -1,-0.2 1,-0.1 2,-0.2 -0.382 46.2 -96.4 -72.5 149.7 13.2 108.0 73.8 119 119 A T + 0 0 66 -91,-0.5 -89,-1.6 -2,-0.1 2,-0.3 -0.437 45.9 166.6 -71.0 131.8 16.9 108.1 74.6 120 120 A T E -f 30 0B 40 -2,-0.2 2,-0.7 -91,-0.2 -89,-0.2 -0.941 17.3-161.8-144.9 119.4 19.4 107.8 71.7 121 121 A V E > -f 31 0B 15 -91,-2.8 -89,-2.7 -2,-0.3 3,-0.5 -0.902 12.1-166.2-105.1 105.9 23.1 108.6 72.1 122 122 A Y T 3 S+ 0 0 40 -2,-0.7 -87,-0.2 1,-0.2 -89,-0.2 -0.513 71.3 27.9 -85.3 161.7 24.9 109.2 68.8 123 123 A Q T 3 S+ 0 0 117 -89,-1.9 2,-1.1 -91,-0.3 21,-0.4 0.859 75.2 169.4 55.3 35.2 28.7 109.3 68.5 124 124 A A < - 0 0 1 -92,-2.6 3,-0.4 -3,-0.5 -1,-0.2 -0.750 23.8-152.8 -78.6 104.6 28.9 106.9 71.5 125 125 A A E +B 142 0A 36 17,-2.8 17,-2.5 -2,-1.1 -91,-0.0 -0.524 58.6 6.6 -85.7 154.1 32.6 106.2 71.2 126 126 A E E S- 0 0 83 15,-0.2 -1,-0.2 -2,-0.2 2,-0.2 0.848 75.0-162.5 45.1 55.3 34.3 103.0 72.3 127 127 A V E - 0 0 16 -3,-0.4 2,-0.4 14,-0.1 14,-0.2 -0.462 10.9-177.8 -67.6 130.7 31.3 101.0 73.4 128 128 A R 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5,-0.2 0.914 105.9 48.8 -58.9 -46.5 17.7 82.1 59.2 337 337 A W H X S+ 0 0 97 -4,-2.5 4,-3.0 2,-0.2 -1,-0.2 0.889 110.8 49.0 -65.4 -39.3 18.8 78.8 57.6 338 338 A K H X S+ 0 0 121 -4,-1.4 4,-2.2 -5,-0.2 -1,-0.2 0.908 114.5 46.8 -66.8 -37.5 15.9 78.6 55.2 339 339 A A H X S+ 0 0 10 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.858 111.7 50.1 -71.6 -37.8 16.6 82.2 54.2 340 340 A E H X S+ 0 0 8 -4,-2.6 4,-2.5 -5,-0.2 5,-0.2 0.942 110.7 51.3 -62.7 -44.6 20.3 81.5 53.8 341 341 A R H X S+ 0 0 112 -4,-3.0 4,-2.3 1,-0.2 -2,-0.2 0.914 111.5 46.8 -59.6 -43.1 19.4 78.5 51.7 342 342 A F H X S+ 0 0 2 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.933 112.8 47.9 -64.4 -45.9 17.2 80.6 49.5 343 343 A S H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.877 111.4 52.1 -63.1 -36.0 19.7 83.4 49.0 344 344 A W H X S+ 0 0 120 -4,-2.5 4,-2.7 -5,-0.2 -1,-0.2 0.943 110.6 47.4 -65.3 -45.9 22.4 80.8 48.2 345 345 A W H X S+ 0 0 18 -4,-2.3 4,-1.9 -5,-0.2 5,-0.2 0.937 112.6 48.3 -62.1 -48.5 20.2 79.2 45.6 346 346 A M H X S+ 0 0 3 -4,-2.7 4,-1.9 1,-0.2 5,-0.2 0.938 112.3 50.3 -57.7 -46.9 19.3 82.6 44.0 347 347 A T H X S+ 0 0 0 -4,-2.5 4,-1.8 -5,-0.2 -2,-0.2 0.930 110.3 49.6 -58.9 -44.3 22.9 83.6 44.0 348 348 A S H < S+ 0 0 30 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.821 114.7 41.7 -70.9 -27.3 24.1 80.3 42.3 349 349 A V H < S+ 0 0 5 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.783 118.6 43.6 -91.6 -20.6 21.5 80.3 39.5 350 350 A L H < S+ 0 0 0 -4,-1.9 -146,-0.3 -5,-0.2 2,-0.2 0.758 101.9 69.3 -94.6 -26.3 21.7 84.1 38.6 351 351 A H S < S- 0 0 0 -4,-1.8 2,-0.6 -5,-0.2 -148,-0.1 -0.573 75.9-121.5 -96.6 158.0 25.5 84.8 38.7 352 352 A R - 0 0 58 -2,-0.2 -144,-0.1 -148,-0.1 -3,-0.1 -0.843 30.4-150.2 -97.8 119.6 28.3 83.8 36.4 353 353 A F - 0 0 67 -2,-0.6 3,-0.4 -5,-0.1 2,-0.3 -0.621 19.1-105.7 -91.3 150.4 31.0 82.0 38.3 354 354 A P S S+ 0 0 72 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.594 97.7 5.8 -73.5 137.2 34.8 82.0 37.5 355 355 A D S S+ 0 0 171 -2,-0.3 2,-0.4 1,-0.2 0, 0.0 0.979 83.8 172.0 51.8 64.9 36.2 78.8 35.9 356 356 A T - 0 0 45 -3,-0.4 -1,-0.2 3,-0.0 2,-0.1 -0.878 27.4-127.8-104.1 133.5 32.9 77.0 35.5 357 357 A D > - 0 0 97 -2,-0.4 4,-2.0 1,-0.1 5,-0.2 -0.435 25.0-105.9 -80.2 160.5 32.9 73.7 33.6 358 358 A A H > S+ 0 0 76 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.861 119.0 54.3 -51.1 -41.1 30.5 73.0 30.7 359 359 A F H > S+ 0 0 146 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.942 108.7 46.5 -61.8 -48.7 28.5 70.7 32.8 360 360 A S H > S+ 0 0 57 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.833 110.6 52.4 -64.2 -34.2 27.8 73.2 35.6 361 361 A Q H X S+ 0 0 88 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.919 112.1 47.5 -66.8 -41.2 26.9 76.0 33.1 362 362 A R H X S+ 0 0 162 -4,-2.1 4,-2.2 -5,-0.2 -2,-0.2 0.893 111.2 49.5 -66.3 -41.1 24.4 73.5 31.6 363 363 A I H X S+ 0 0 79 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.916 110.5 52.0 -65.2 -36.8 23.0 72.6 35.0 364 364 A Q H X S+ 0 0 24 -4,-2.4 4,-1.8 2,-0.2 3,-0.4 0.958 109.8 47.2 -62.9 -50.0 22.7 76.3 35.8 365 365 A Q H X S+ 0 0 66 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.923 112.8 51.5 -57.8 -40.5 20.7 77.0 32.7 366 366 A T H X S+ 0 0 69 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.782 102.0 58.1 -68.6 -31.7 18.6 73.9 33.4 367 367 A E H X S+ 0 0 59 -4,-2.0 4,-2.8 -3,-0.4 5,-0.3 0.936 109.6 47.0 -63.4 -44.2 17.7 75.0 37.0 368 368 A L H X S+ 0 0 4 -4,-1.8 4,-2.4 1,-0.2 -2,-0.2 0.973 112.4 47.7 -61.2 -53.2 16.3 78.2 35.5 369 369 A E H X S+ 0 0 94 -4,-2.3 4,-0.5 1,-0.2 -1,-0.2 0.900 117.0 44.9 -56.1 -41.0 14.3 76.4 32.8 370 370 A Y H >X S+ 0 0 124 -4,-2.6 4,-1.5 2,-0.2 3,-1.3 0.984 116.5 39.7 -69.3 -60.8 13.0 73.9 35.4 371 371 A Y H 3< S+ 0 0 59 -4,-2.8 10,-0.2 1,-0.2 -1,-0.2 0.804 119.2 49.0 -59.1 -30.4 12.0 76.2 38.3 372 372 A L H 3< S+ 0 0 7 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.493 115.5 42.8 -86.4 -7.6 10.6 78.8 35.9 373 373 A G H << S+ 0 0 52 -3,-1.3 2,-0.4 -4,-0.5 -2,-0.2 0.546 98.9 78.3-114.8 -11.9 8.6 76.4 33.8 374 374 A S X - 0 0 29 -4,-1.5 4,-3.0 1,-0.1 5,-0.2 -0.855 69.9-140.5-103.4 140.3 7.0 74.2 36.5 375 375 A E H > S+ 0 0 106 -2,-0.4 4,-1.7 1,-0.2 -1,-0.1 0.857 109.6 46.0 -61.2 -37.7 4.0 75.2 38.5 376 376 A A H > S+ 0 0 61 2,-0.2 4,-1.5 1,-0.1 -1,-0.2 0.879 111.6 50.5 -73.3 -37.4 5.7 73.6 41.5 377 377 A G H >> S+ 0 0 1 -7,-0.2 4,-1.8 2,-0.2 3,-0.5 0.959 110.2 50.6 -63.3 -48.7 9.1 75.2 40.8 378 378 A L H 3X S+ 0 0 18 -4,-3.0 4,-2.8 1,-0.2 -1,-0.2 0.914 107.7 53.4 -53.7 -48.6 7.5 78.6 40.5 379 379 A A H 3X S+ 0 0 31 -4,-1.7 4,-2.3 -5,-0.2 -1,-0.2 0.823 104.9 54.5 -60.1 -32.0 5.8 78.1 43.8 380 380 A T H