==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 25-FEB-04 1SH8 . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN PA5026; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR R.ZHANG,E.EVDOKIMOVA,A.SAVCHENKO,A.EDWARDS,A.JOACHIMIAK, . 302 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14787.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 221 73.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 95 31.5 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 . 4 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 0 0.0 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 . 21 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 76 25.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 1 0 1 0 0 2 2 0 0 0 2 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 3 1 0 0 3 2 0 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 1 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 0 A H 0 0 206 0, 0.0 3,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 168.5 26.8 26.0 -14.6 2 1 A M - 0 0 96 1,-0.1 69,-0.1 30,-0.0 68,-0.1 -0.871 360.0-155.6-102.7 126.0 28.1 23.5 -12.0 3 2 A P S S+ 0 0 38 0, 0.0 -1,-0.1 0, 0.0 71,-0.1 0.720 85.9 23.3 -70.9 -18.7 29.1 24.8 -8.5 4 3 A L S S- 0 0 33 66,-0.2 2,-0.1 69,-0.1 69,-0.0 -0.995 87.6-107.7-145.3 147.6 31.4 21.8 -8.2 5 4 A P > - 0 0 77 0, 0.0 4,-2.2 0, 0.0 5,-0.2 -0.426 40.7-110.1 -72.2 154.2 33.2 19.5 -10.6 6 5 A T H > S+ 0 0 65 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.858 110.4 48.4 -55.0 -49.5 31.8 15.9 -10.7 7 6 A E H > S+ 0 0 124 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.905 114.6 47.2 -62.6 -40.1 34.5 13.8 -9.1 8 7 A L H > S+ 0 0 76 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.912 111.6 51.1 -66.8 -41.4 34.8 16.2 -6.2 9 8 A A H X S+ 0 0 3 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.916 112.1 47.3 -62.0 -41.4 31.0 16.3 -5.8 10 9 A R H X S+ 0 0 63 -4,-2.6 4,-2.6 2,-0.2 5,-0.3 0.921 111.3 50.8 -65.8 -43.4 30.9 12.5 -5.8 11 10 A H H X S+ 0 0 80 -4,-2.6 4,-2.8 1,-0.2 5,-0.4 0.939 113.1 45.1 -60.2 -47.4 33.7 12.3 -3.2 12 11 A L H X S+ 0 0 40 -4,-2.8 4,-2.2 3,-0.2 5,-0.4 0.917 112.9 51.2 -63.3 -43.0 31.9 14.8 -0.9 13 12 A T H < S+ 0 0 8 -4,-2.5 4,-0.2 -5,-0.2 -2,-0.2 0.924 120.4 33.5 -60.3 -46.3 28.6 13.1 -1.3 14 13 A E H < S+ 0 0 8 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.780 133.5 22.9 -82.8 -28.0 30.0 9.6 -0.5 15 14 A E H < S+ 0 0 83 -4,-2.8 -3,-0.2 -5,-0.3 -2,-0.2 0.561 90.7 86.7-122.1 -7.2 32.7 10.5 2.0 16 15 A K S < S+ 0 0 109 -4,-2.2 2,-0.7 -5,-0.4 -3,-0.1 0.909 94.8 50.5 -62.2 -38.6 32.2 13.9 3.8 17 16 A I S >> S- 0 0 16 -5,-0.4 4,-2.5 -4,-0.2 3,-0.7 -0.892 75.2-155.1-103.8 114.0 30.0 12.2 6.5 18 17 A A H 3> S+ 0 0 46 -2,-0.7 4,-2.9 182,-0.3 5,-0.2 0.840 93.7 59.4 -54.0 -40.8 31.7 9.1 8.0 19 18 A F H 3> S+ 0 0 6 181,-0.5 4,-0.6 1,-0.2 -1,-0.3 0.902 111.8 42.0 -55.7 -42.0 28.4 7.5 9.0 20 19 A V H X>>S+ 0 0 1 -3,-0.7 5,-1.0 2,-0.2 3,-1.0 0.913 111.1 54.6 -72.0 -44.5 27.4 7.6 5.3 21 20 A Q H ><5S+ 0 0 91 -4,-2.5 3,-1.5 1,-0.3 -2,-0.2 0.915 104.1 55.7 -56.2 -44.1 30.8 6.5 4.1 22 21 A R H 3<5S+ 0 0 61 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.736 100.6 59.8 -62.0 -24.4 30.6 3.4 6.3 23 22 A S H <<5S- 0 0 4 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.643 107.2-124.7 -79.7 -15.7 27.3 2.4 4.7 24 23 A G T <<5 + 0 0 33 -3,-1.5 -3,-0.1 -4,-0.6 -2,-0.1 0.626 43.9 174.2 82.5 12.7 28.9 2.1 1.2 25 24 A L < - 0 0 3 -5,-1.0 2,-0.4 -11,-0.1 14,-0.2 -0.266 12.7-159.1 -55.4 136.0 26.4 4.5 -0.3 26 25 A R E -A 38 0A 114 12,-2.8 12,-3.0 -13,-0.0 2,-0.5 -0.948 14.0-135.3-124.1 142.3 27.3 5.3 -4.0 27 26 A A E +A 37 0A 16 -2,-0.4 10,-0.2 10,-0.2 3,-0.1 -0.840 19.0 179.2 -94.8 125.2 26.4 8.2 -6.2 28 27 A E E S+ 0 0 63 8,-3.0 2,-0.4 -2,-0.5 9,-0.2 0.850 74.1 12.0 -90.9 -41.9 25.4 7.2 -9.7 29 28 A V E +A 36 0A 28 7,-1.7 7,-2.4 2,-0.0 -1,-0.4 -0.999 60.2 176.2-139.5 134.4 24.6 10.6 -11.0 30 29 A L E +A 35 0A 12 -2,-0.4 5,-0.2 5,-0.2 -20,-0.1 -0.895 23.9 137.7-139.9 105.8 25.3 14.1 -9.6 31 30 A E E > -A 34 0A 107 3,-2.7 3,-2.4 -2,-0.4 39,-0.2 -0.942 63.9 -70.0-143.2 162.1 24.4 17.1 -11.6 32 31 A P T 3 S+ 0 0 56 0, 0.0 39,-0.2 0, 0.0 72,-0.1 -0.354 122.4 2.6 -55.6 127.6 22.8 20.5 -10.9 33 32 A G T 3 S+ 0 0 9 34,-0.4 69,-2.0 70,-0.1 2,-0.3 0.444 124.6 71.6 76.3 -0.7 19.2 19.8 -10.1 34 33 A Y E < +AB 31 101A 40 -3,-2.4 -3,-2.7 67,-0.2 2,-0.3 -0.937 48.1 165.8-153.9 129.6 19.4 16.0 -10.3 35 34 A V E -AB 30 100A 0 65,-2.3 65,-2.2 -2,-0.3 2,-0.4 -0.976 12.5-167.9-139.6 151.0 21.0 13.2 -8.3 36 35 A R E -AB 29 99A 61 -7,-2.4 -8,-3.0 -2,-0.3 -7,-1.7 -0.967 14.3-175.5-140.9 122.1 20.7 9.4 -8.2 37 36 A L E -AB 27 98A 0 61,-2.5 61,-2.0 -2,-0.4 2,-0.4 -0.821 10.9-154.1-119.1 158.6 22.1 7.4 -5.3 38 37 A R E -AB 26 97A 72 -12,-3.0 -12,-2.8 -2,-0.3 59,-0.2 -0.997 2.3-158.6-134.6 131.5 22.4 3.7 -4.5 39 38 A M E - B 0 96A 0 57,-3.4 57,-2.3 -2,-0.4 -14,-0.1 -0.943 25.8-128.5-109.6 119.2 22.7 1.9 -1.2 40 39 A P - 0 0 28 0, 0.0 4,-0.1 0, 0.0 55,-0.1 -0.376 3.2-143.7 -66.1 143.6 24.3 -1.6 -1.4 41 40 A G S > S+ 0 0 11 2,-0.1 3,-1.6 10,-0.1 2,-0.2 0.882 78.7 90.9 -72.6 -37.1 22.3 -4.4 0.2 42 41 A A T 3 S+ 0 0 76 1,-0.3 9,-0.0 2,-0.2 0, 0.0 -0.407 99.8 8.9 -64.3 124.1 25.5 -6.0 1.3 43 42 A G T 3 S+ 0 0 27 -2,-0.2 -1,-0.3 3,-0.1 131,-0.2 0.230 116.4 77.6 92.0 -13.1 26.6 -4.9 4.8 44 43 A N < + 0 0 0 -3,-1.6 8,-3.1 -4,-0.1 11,-0.2 0.121 63.6 129.2-114.6 19.6 23.3 -3.0 5.4 45 44 A E B -L 51 0B 92 6,-0.3 129,-0.4 -4,-0.2 128,-0.3 -0.418 48.2-141.5 -76.6 148.9 21.1 -6.0 6.2 46 45 A N > - 0 0 25 4,-3.2 3,-0.6 -2,-0.1 127,-0.1 -0.112 40.6 -86.8 -89.8-162.8 18.9 -6.1 9.4 47 46 A H T 3 S+ 0 0 113 1,-0.2 4,-0.1 2,-0.1 -2,-0.1 0.632 120.5 56.9 -84.2 -11.8 18.4 -9.3 11.4 48 47 A I T 3 S- 0 0 116 2,-0.2 -1,-0.2 3,-0.0 3,-0.1 -0.033 119.8 -87.5-113.8 32.4 15.5 -10.5 9.2 49 48 A G S < S+ 0 0 49 -3,-0.6 2,-0.3 1,-0.2 -2,-0.1 0.602 95.2 78.8 81.4 12.8 16.8 -10.7 5.7 50 49 A S S S- 0 0 17 43,-0.1 -4,-3.2 -6,-0.0 -1,-0.2 -0.866 89.5 -60.9-142.0 176.5 16.2 -7.1 4.3 51 50 A M B -L 45 0B 6 41,-2.6 41,-0.3 -2,-0.3 -6,-0.3 -0.367 57.8-110.4 -64.6 135.1 17.8 -3.6 4.4 52 51 A Y >> - 0 0 4 -8,-3.1 4,-1.8 1,-0.1 3,-1.2 -0.384 23.6-120.9 -64.5 140.0 18.0 -2.1 7.9 53 52 A A H 3> S+ 0 0 11 1,-0.3 4,-2.5 2,-0.2 5,-0.1 0.817 112.0 58.0 -50.4 -38.0 15.6 0.8 8.4 54 53 A G H 3> S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.818 105.1 49.7 -64.9 -32.6 18.5 3.1 9.2 55 54 A A H <> S+ 0 0 0 -3,-1.2 4,-2.3 -11,-0.2 -1,-0.2 0.890 110.5 50.2 -72.5 -40.7 20.2 2.4 5.8 56 55 A L H X S+ 0 0 8 -4,-1.8 4,-2.4 1,-0.2 -2,-0.2 0.923 110.9 50.2 -62.2 -42.8 16.9 3.1 4.1 57 56 A F H X S+ 0 0 2 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.928 109.4 50.3 -61.0 -46.0 16.6 6.4 6.0 58 57 A T H X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.919 111.4 48.4 -59.9 -43.5 20.1 7.4 5.0 59 58 A L H < S+ 0 0 0 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.910 115.8 43.9 -62.8 -42.8 19.5 6.7 1.4 60 59 A A H < S+ 0 0 1 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.800 117.3 45.7 -72.7 -30.2 16.2 8.7 1.4 61 60 A E H >< S+ 0 0 14 -4,-2.5 3,-1.7 -5,-0.2 4,-0.5 0.857 97.3 68.9 -82.4 -39.0 17.7 11.6 3.4 62 61 A L T >X S+ 0 0 13 -4,-2.3 4,-2.8 1,-0.3 3,-0.8 0.744 79.6 76.4 -57.3 -29.7 21.0 12.2 1.6 63 62 A P H 3> S+ 0 0 0 0, 0.0 4,-2.7 0, 0.0 5,-0.3 0.820 89.0 61.7 -54.0 -27.9 19.5 13.5 -1.6 64 63 A G H <> S+ 0 0 0 -3,-1.7 4,-1.1 1,-0.2 -2,-0.2 0.924 111.6 36.4 -62.8 -43.3 18.8 16.8 0.2 65 64 A G H <> S+ 0 0 21 -3,-0.8 4,-2.3 -4,-0.5 -1,-0.2 0.856 115.7 54.2 -76.9 -36.3 22.5 17.3 0.8 66 65 A A H X S+ 0 0 1 -4,-2.8 4,-1.8 2,-0.2 -2,-0.2 0.925 108.8 48.1 -64.2 -44.6 23.6 15.8 -2.6 67 66 A L H X S+ 0 0 0 -4,-2.7 4,-2.0 -5,-0.2 -34,-0.4 0.872 109.9 54.5 -62.6 -36.2 21.3 18.3 -4.5 68 67 A F H X S+ 0 0 8 -4,-1.1 4,-2.3 -5,-0.3 -2,-0.2 0.934 108.1 49.1 -61.3 -46.4 22.8 21.0 -2.3 69 68 A L H < S+ 0 0 14 -4,-2.3 5,-0.2 1,-0.2 -2,-0.2 0.834 118.9 38.0 -63.5 -34.2 26.3 20.0 -3.4 70 69 A T H < S+ 0 0 6 -4,-1.8 -66,-0.2 -39,-0.2 -1,-0.2 0.670 126.3 34.0 -92.5 -15.3 25.4 19.9 -7.1 71 70 A S H < S+ 0 0 10 -4,-2.0 2,-0.3 -5,-0.2 -3,-0.2 0.677 109.2 47.2-115.2 -21.1 23.1 22.9 -7.2 72 71 A F S < S- 0 0 2 -4,-2.3 2,-1.0 -5,-0.3 35,-0.0 -0.770 90.5 -87.8-123.7 167.3 24.2 25.6 -4.8 73 72 A D > - 0 0 85 -2,-0.3 4,-1.9 1,-0.2 -4,-0.1 -0.644 44.5-161.5 -70.0 103.9 27.4 27.5 -3.7 74 73 A S T 4 S+ 0 0 33 -2,-1.0 -1,-0.2 -5,-0.2 -5,-0.1 0.322 83.1 47.8 -78.5 8.2 28.3 24.9 -1.1 75 74 A A T 4 S+ 0 0 75 3,-0.1 -1,-0.2 73,-0.0 73,-0.1 0.669 112.1 47.5-111.0 -36.9 30.7 27.2 0.8 76 75 A R T 4 S+ 0 0 132 71,-0.1 72,-1.5 -3,-0.0 2,-0.2 0.853 123.3 26.9 -71.8 -36.1 28.3 30.2 1.0 77 76 A F E < -C 147 0A 2 -4,-1.9 70,-0.2 70,-0.2 68,-0.1 -0.749 62.9-162.2-122.5 168.9 25.4 28.0 2.2 78 77 A Y E -C 146 0A 47 68,-2.2 68,-3.0 -2,-0.2 2,-0.3 -0.979 18.4-129.0-148.4 148.6 24.8 24.7 4.0 79 78 A P E -C 145 0A 7 0, 0.0 2,-0.3 0, 0.0 66,-0.2 -0.709 19.5-175.9-101.5 155.4 21.8 22.5 4.2 80 79 A I E -C 144 0A 33 64,-1.7 64,-2.5 -2,-0.3 2,-0.5 -0.987 25.0-126.6-143.3 146.6 20.0 21.0 7.2 81 80 A V E -C 143 0A 18 -2,-0.3 62,-0.3 62,-0.2 3,-0.1 -0.837 21.6-176.2 -95.4 132.0 17.1 18.6 7.4 82 81 A K E - 0 0 55 60,-3.2 161,-3.0 -2,-0.5 2,-0.3 0.853 64.1 -15.2 -93.5 -46.6 14.2 19.9 9.5 83 82 A E E -CD 142 242A 85 59,-1.2 59,-2.8 159,-0.2 -1,-0.4 -0.983 59.3-173.8-157.6 154.9 11.8 17.0 9.5 84 83 A M E -CD 141 241A 4 157,-2.3 157,-2.9 -2,-0.3 2,-0.4 -0.979 12.6-155.8-157.7 140.1 11.2 13.8 7.5 85 84 A T E -CD 140 240A 26 55,-2.8 55,-2.2 -2,-0.3 2,-0.5 -0.962 11.3-167.3-116.7 133.1 8.7 11.0 7.3 86 85 A L E -CD 139 239A 0 153,-2.8 153,-2.0 -2,-0.4 2,-0.5 -0.986 3.8-162.5-124.4 119.1 9.8 7.6 5.9 87 86 A R E -CD 138 238A 81 51,-3.3 51,-2.3 -2,-0.5 2,-0.6 -0.899 10.8-143.7-106.4 125.6 7.1 5.1 5.0 88 87 A F E +C 137 0A 29 149,-2.3 49,-0.3 -2,-0.5 48,-0.1 -0.775 23.9 170.0 -92.0 122.2 8.0 1.4 4.7 89 88 A R - 0 0 127 47,-2.4 48,-0.2 -2,-0.6 -1,-0.2 0.826 61.3 -13.6 -98.8 -42.1 6.2 -0.4 1.9 90 89 A R S S- 0 0 126 46,-1.7 -1,-0.3 44,-0.1 44,-0.0 -0.988 85.0 -69.0-160.2 156.2 7.9 -3.8 1.6 91 90 A P - 0 0 87 0, 0.0 2,-0.9 0, 0.0 46,-0.1 -0.237 50.5-131.9 -49.7 129.5 11.1 -5.6 2.6 92 91 A A - 0 0 4 -41,-0.3 -41,-2.6 44,-0.1 2,-0.4 -0.783 30.7-178.9 -92.4 105.7 14.0 -4.0 0.8 93 92 A K - 0 0 126 -2,-0.9 38,-0.5 -43,-0.2 -43,-0.1 -0.843 47.1 -5.8-107.5 141.5 16.2 -6.8 -0.8 94 93 A G S S- 0 0 35 -2,-0.4 2,-0.2 36,-0.1 -43,-0.1 -0.346 114.3 -12.9 78.1-161.9 19.3 -6.2 -2.8 95 94 A D - 0 0 53 -55,-0.1 36,-0.4 -54,-0.1 2,-0.4 -0.540 66.5-154.3 -76.9 140.5 20.6 -2.8 -3.8 96 95 A I E -B 39 0A 0 -57,-2.3 -57,-3.4 -2,-0.2 2,-0.3 -0.915 10.3-168.1-118.6 142.5 18.2 0.1 -3.3 97 96 A R E -BE 38 129A 101 32,-2.4 32,-2.2 -2,-0.4 2,-0.3 -0.841 9.5-172.8-128.3 165.9 18.2 3.4 -5.2 98 97 A V E -B 37 0A 4 -61,-2.0 -61,-2.5 -2,-0.3 2,-0.3 -0.985 4.5-163.8-153.1 147.5 16.6 6.8 -5.1 99 98 A E E +B 36 0A 96 28,-0.5 28,-0.3 -2,-0.3 2,-0.3 -0.968 9.7 180.0-133.7 151.0 16.6 9.8 -7.4 100 99 A A E -B 35 0A 4 -65,-2.2 -65,-2.3 -2,-0.3 2,-0.3 -0.991 4.2-166.5-149.1 151.8 15.7 13.4 -6.7 101 100 A R E -B 34 0A 173 -2,-0.3 2,-0.4 -67,-0.2 -67,-0.2 -0.955 15.9-163.2-143.6 160.5 15.5 16.7 -8.6 102 101 A L - 0 0 18 -69,-2.0 -2,-0.0 -2,-0.3 22,-0.0 -0.978 32.1-124.6-138.5 123.6 15.1 20.5 -8.3 103 102 A D > - 0 0 84 -2,-0.4 4,-2.1 1,-0.1 3,-0.2 -0.317 25.0-109.4 -71.4 158.0 14.1 22.4 -11.4 104 103 A A H > S+ 0 0 59 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.862 118.4 51.8 -51.7 -43.2 16.3 25.3 -12.6 105 104 A E H > S+ 0 0 115 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.896 108.4 50.1 -64.1 -42.7 13.7 27.9 -11.5 106 105 A R H > S+ 0 0 73 -3,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.881 107.5 54.9 -64.2 -37.8 13.4 26.5 -8.0 107 106 A I H X S+ 0 0 20 -4,-2.1 4,-2.4 1,-0.2 5,-0.2 0.935 109.8 46.9 -60.8 -45.0 17.2 26.6 -7.6 108 107 A R H X S+ 0 0 140 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.923 112.5 49.3 -62.5 -44.7 17.2 30.3 -8.5 109 108 A Q H X S+ 0 0 86 -4,-2.4 4,-2.7 1,-0.2 5,-0.2 0.930 112.2 49.0 -60.2 -46.3 14.4 31.0 -6.1 110 109 A L H X S+ 0 0 0 -4,-2.9 4,-2.8 1,-0.2 5,-0.3 0.916 112.1 45.4 -61.5 -47.7 16.1 29.2 -3.3 111 110 A E H X S+ 0 0 72 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.879 114.1 50.6 -66.2 -35.8 19.5 30.8 -3.6 112 111 A T H X S+ 0 0 72 -4,-2.1 4,-2.8 -5,-0.2 5,-0.2 0.965 115.2 41.3 -64.6 -52.6 17.9 34.2 -4.0 113 112 A E H X S+ 0 0 70 -4,-2.7 4,-3.0 2,-0.2 6,-0.6 0.879 116.5 48.6 -63.6 -40.6 15.7 33.8 -0.8 114 113 A A H X S+ 0 0 0 -4,-2.8 4,-1.4 -5,-0.2 33,-0.3 0.872 114.4 48.0 -67.7 -35.7 18.6 32.2 1.1 115 114 A G H < S+ 0 0 30 -4,-2.1 -2,-0.2 -5,-0.3 -1,-0.2 0.918 120.2 35.6 -70.5 -42.6 20.9 35.0 0.1 116 115 A E H < S+ 0 0 136 -4,-2.8 -2,-0.2 -5,-0.2 -3,-0.2 0.833 133.3 24.9 -80.9 -35.0 18.4 37.8 0.9 117 116 A R H < S- 0 0 161 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.521 101.5-116.2-109.6 -7.4 16.8 36.3 4.0 118 117 A G S < S+ 0 0 19 -4,-1.4 29,-2.4 -5,-0.4 2,-0.3 0.209 88.4 42.6 93.3 -17.6 19.5 33.9 5.3 119 118 A K E - 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