==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 26-OCT-05 2ESN . COMPND 2 MOLECULE: PROBABLE TRANSCRIPTIONAL REGULATOR; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR V.V.LUNIN,C.CHANG,T.SKARINA,E.GORODISCHENSKAYA,A.M.EDWARDS, . 1195 9 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 52783.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 806 67.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 90 7.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 117 9.8 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 73 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 101 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 386 32.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 19 1.6 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 5 3 4 4 6 1 9 0 0 1 3 0 0 4 0 2 0 1 0 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 12 0 0 6 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 PARALLEL BRIDGES PER LADDER . 0 0 3 13 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 4 0 0 0 0 0 0 0 4 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 3 A P 0 0 85 0, 0.0 1000,-0.0 0, 0.0 933,-0.0 0.000 360.0 360.0 360.0 -35.8 13.1 40.3 -10.3 2 4 A L > + 0 0 80 3,-0.1 4,-1.2 2,-0.0 983,-0.0 0.330 360.0 65.9-130.5 -10.3 14.6 36.9 -11.3 3 5 A L T 4 S+ 0 0 24 1,-0.2 5,-0.2 2,-0.2 913,-0.1 0.816 98.4 53.8 -77.3 -32.7 13.0 35.1 -8.4 4 6 A R T 4 S+ 0 0 90 1,-0.2 -1,-0.2 3,-0.1 4,-0.1 0.713 107.9 49.7 -79.0 -16.5 9.6 35.7 -9.9 5 7 A R T 4 S+ 0 0 225 2,-0.1 2,-0.2 42,-0.1 -1,-0.2 0.820 94.6 88.8 -87.6 -32.1 10.6 34.2 -13.3 6 8 A L S < S- 0 0 10 -4,-1.2 2,-1.4 1,-0.1 3,-0.1 -0.463 83.1-125.9 -69.0 124.7 12.1 31.1 -11.8 7 9 A D > - 0 0 38 -2,-0.2 3,-2.3 1,-0.2 4,-0.3 -0.618 25.5-160.0 -64.4 95.6 9.8 28.1 -11.3 8 10 A L T > S+ 0 0 9 -2,-1.4 3,-1.8 1,-0.3 4,-0.3 0.758 82.5 70.8 -58.9 -27.2 10.6 27.7 -7.5 9 11 A N T >> S+ 0 0 49 1,-0.3 3,-1.2 2,-0.2 4,-0.6 0.789 87.7 66.7 -56.6 -25.7 9.4 24.1 -7.5 10 12 A L H <> S+ 0 0 8 -3,-2.3 4,-2.1 1,-0.2 -1,-0.3 0.662 82.1 75.4 -68.5 -20.8 12.5 23.2 -9.5 11 13 A L H <> S+ 0 0 9 -3,-1.8 4,-2.5 -4,-0.3 -1,-0.2 0.762 88.5 58.7 -61.1 -27.0 14.6 24.2 -6.5 12 14 A L H <> S+ 0 0 30 -3,-1.2 4,-3.2 -4,-0.3 5,-0.2 0.903 106.4 49.5 -67.4 -38.6 13.6 20.8 -4.9 13 15 A V H X S+ 0 0 9 -4,-0.6 4,-2.2 2,-0.2 -2,-0.2 0.941 111.8 46.3 -65.1 -51.5 15.2 19.2 -8.0 14 16 A F H X S+ 0 0 1 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.931 114.9 49.1 -51.1 -49.6 18.4 21.2 -7.7 15 17 A D H X S+ 0 0 21 -4,-2.5 4,-2.2 1,-0.2 5,-0.2 0.954 111.4 45.9 -67.2 -53.6 18.5 20.5 -4.0 16 18 A A H X S+ 0 0 0 -4,-3.2 4,-3.2 1,-0.2 5,-0.3 0.891 115.5 48.5 -50.1 -45.0 18.0 16.7 -4.2 17 19 A L H X S+ 0 0 0 -4,-2.2 4,-2.4 -5,-0.2 -1,-0.2 0.862 110.3 49.7 -68.5 -37.1 20.6 16.5 -7.1 18 20 A Y H < S+ 0 0 54 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.896 117.4 42.0 -67.4 -38.5 23.2 18.5 -5.2 19 21 A R H < S+ 0 0 119 -4,-2.2 -2,-0.2 -5,-0.2 -3,-0.2 0.963 125.4 33.0 -70.8 -51.6 22.8 16.3 -2.1 20 22 A H H < S- 0 0 63 -4,-3.2 -3,-0.2 -5,-0.2 -2,-0.2 0.748 82.6-153.4 -80.8 -27.6 22.5 12.9 -4.0 21 23 A R S < S+ 0 0 80 -4,-2.4 39,-1.5 -5,-0.3 2,-0.3 0.670 70.9 81.1 53.7 28.3 24.9 13.6 -7.0 22 24 A N S > S- 0 0 40 -6,-0.2 4,-1.5 37,-0.2 5,-0.1 -0.963 73.9-140.8-160.5 131.7 23.0 11.0 -9.0 23 25 A V H > S+ 0 0 36 35,-0.4 4,-2.5 -2,-0.3 5,-0.3 0.911 97.4 54.1 -65.7 -50.7 19.7 11.4 -10.9 24 26 A G H > S+ 0 0 42 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.950 113.8 42.8 -52.1 -49.5 18.0 7.9 -10.0 25 27 A T H > S+ 0 0 51 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.883 114.2 49.2 -66.9 -37.9 18.5 8.5 -6.2 26 28 A A H X S+ 0 0 0 -4,-1.5 4,-1.9 2,-0.2 -1,-0.2 0.902 112.5 49.4 -65.7 -40.6 17.4 12.2 -6.3 27 29 A A H X>S+ 0 0 2 -4,-2.5 5,-2.5 2,-0.2 4,-0.9 0.842 109.0 53.4 -63.3 -42.0 14.3 11.2 -8.3 28 30 A S H ><5S+ 0 0 90 -4,-2.0 3,-0.9 -5,-0.3 -2,-0.2 0.956 106.2 50.9 -60.5 -52.8 13.6 8.4 -5.9 29 31 A E H 3<5S+ 0 0 67 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.915 114.9 44.3 -49.4 -45.3 13.7 10.9 -2.9 30 32 A L H 3<5S- 0 0 20 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.569 110.9-125.3 -81.2 -8.1 11.2 13.2 -4.8 31 33 A A T <<5 + 0 0 70 -3,-0.9 2,-0.3 -4,-0.9 -3,-0.2 0.900 68.0 118.2 71.6 38.9 9.0 10.2 -5.8 32 34 A I < - 0 0 69 -5,-2.5 -1,-0.3 1,-0.1 -2,-0.1 -0.914 69.8 -91.8-128.6 165.0 9.0 10.8 -9.5 33 35 A S > - 0 0 71 -2,-0.3 4,-2.2 1,-0.1 5,-0.1 -0.228 36.5-111.6 -69.9 166.0 10.3 8.7 -12.4 34 36 A A H > S+ 0 0 56 2,-0.2 4,-2.3 1,-0.2 -1,-0.1 0.806 120.2 52.9 -72.4 -34.0 13.8 9.3 -13.7 35 37 A S H > S+ 0 0 73 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.926 107.8 49.5 -58.1 -57.6 12.3 10.7 -16.9 36 38 A A H > S+ 0 0 41 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.916 113.9 47.6 -47.0 -47.4 10.2 13.2 -15.0 37 39 A F H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.916 109.6 51.4 -65.0 -47.6 13.3 14.2 -13.0 38 40 A S H X S+ 0 0 63 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.878 109.7 50.4 -59.4 -42.8 15.5 14.5 -16.1 39 41 A H H X S+ 0 0 132 -4,-2.7 4,-1.8 2,-0.2 -1,-0.2 0.866 110.5 49.6 -62.0 -34.7 12.9 16.8 -17.8 40 42 A A H X S+ 0 0 16 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.873 109.0 53.7 -72.8 -37.5 12.8 19.0 -14.6 41 43 A L H X S+ 0 0 4 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.883 107.3 49.1 -57.8 -49.5 16.5 19.1 -14.7 42 44 A G H X S+ 0 0 28 -4,-1.9 4,-1.5 2,-0.2 -2,-0.2 0.845 110.3 52.6 -59.3 -38.7 16.4 20.4 -18.3 43 45 A R H X S+ 0 0 130 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.921 111.1 46.5 -61.5 -44.0 13.8 23.0 -17.2 44 46 A L H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 5,-0.3 0.900 107.0 56.9 -69.2 -41.2 16.1 24.2 -14.4 45 47 A R H X>S+ 0 0 51 -4,-2.6 5,-1.7 1,-0.2 4,-0.7 0.907 112.3 42.8 -56.3 -37.8 19.1 24.3 -16.7 46 48 A Q H <5S+ 0 0 148 -4,-1.5 3,-0.3 3,-0.2 -2,-0.2 0.909 111.1 54.8 -73.0 -40.4 17.1 26.7 -18.9 47 49 A G H <5S+ 0 0 48 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.777 121.9 29.3 -66.8 -26.9 15.8 28.7 -15.9 48 50 A L H <5S- 0 0 8 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.396 100.7-131.6-111.4 -1.2 19.3 29.3 -14.7 49 51 A D T <5S+ 0 0 83 -4,-0.7 2,-0.3 -3,-0.3 -3,-0.2 0.944 70.8 107.5 50.0 53.9 21.0 29.2 -18.1 50 52 A D S S-A 59 0A 154 3,-2.6 3,-1.9 -2,-0.5 2,-0.9 -0.875 78.8 -50.1-120.7 92.1 30.4 11.4 -16.0 57 59 A G T 3 S- 0 0 55 -2,-0.5 -2,-0.0 1,-0.3 0, 0.0 -0.717 122.9 -30.3 75.8-108.2 28.7 8.0 -16.6 58 60 A N T 3 S+ 0 0 114 -2,-0.9 -35,-0.4 -3,-0.1 -1,-0.3 0.281 115.5 110.4-117.9 7.6 26.0 8.5 -14.0 59 61 A R E < -A 56 0A 174 -3,-1.9 -3,-2.6 -37,-0.1 2,-0.5 -0.623 56.6-152.5 -77.9 145.7 28.0 10.7 -11.6 60 62 A M E -A 55 0A 9 -39,-1.5 -5,-0.2 -2,-0.3 -2,-0.0 -0.969 9.1-167.0-130.1 109.5 26.7 14.3 -11.6 61 63 A Q E -A 54 0A 111 -7,-3.5 -7,-4.1 -2,-0.5 -43,-0.1 -0.886 21.2-121.0-108.4 125.6 29.2 17.0 -10.8 62 64 A P E -A 53 0A 6 0, 0.0 -9,-0.3 0, 0.0 2,-0.1 -0.282 22.5-127.8 -61.2 141.6 28.1 20.6 -9.9 63 65 A T > - 0 0 18 -11,-2.3 4,-1.8 1,-0.1 5,-0.2 -0.316 35.7 -96.1 -68.9 171.4 29.4 23.4 -12.0 64 66 A Q H > S+ 0 0 154 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.898 125.5 49.4 -58.1 -45.9 31.0 26.4 -10.3 65 67 A R H > S+ 0 0 56 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.927 108.9 52.7 -62.1 -43.4 27.7 28.4 -10.2 66 68 A A H > S+ 0 0 0 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.896 109.0 50.0 -54.8 -47.8 25.7 25.5 -8.8 67 69 A E H >X S+ 0 0 80 -4,-1.8 3,-0.7 2,-0.2 4,-0.6 0.947 110.1 49.5 -55.4 -56.1 28.1 25.0 -5.9 68 70 A H H 3< S+ 0 0 107 -4,-2.0 4,-0.4 1,-0.2 -1,-0.2 0.823 115.2 45.7 -57.7 -30.0 28.0 28.7 -5.1 69 71 A L H 3X S+ 0 0 2 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.721 91.0 83.7 -81.2 -24.1 24.2 28.5 -5.1 70 72 A A H S+ 0 0 17 -4,-0.4 4,-2.8 -3,-0.2 -1,-0.2 0.938 112.1 44.9 -52.8 -51.4 21.4 29.5 -0.5 73 75 A V H X S+ 0 0 0 -4,-2.1 4,-2.9 2,-0.2 5,-0.2 0.894 113.2 49.2 -61.4 -43.0 18.9 26.9 -1.7 74 76 A A H X S+ 0 0 36 -4,-2.5 4,-2.3 -5,-0.2 -2,-0.2 0.954 114.4 46.2 -65.6 -44.0 19.4 24.6 1.3 75 77 A A H X S+ 0 0 30 -4,-2.9 4,-3.1 2,-0.2 -2,-0.2 0.925 113.3 48.3 -63.6 -49.2 18.9 27.5 3.7 76 78 A A H X S+ 0 0 2 -4,-2.8 4,-2.7 -5,-0.2 -1,-0.2 0.916 113.5 47.6 -53.7 -49.3 15.8 28.8 1.8 77 79 A L H X S+ 0 0 17 -4,-2.9 4,-2.6 2,-0.2 -2,-0.2 0.861 111.1 51.9 -66.1 -32.7 14.3 25.3 1.8 78 80 A R H X S+ 0 0 141 -4,-2.3 4,-2.8 -5,-0.2 5,-0.2 0.955 110.5 47.7 -65.3 -48.2 15.1 24.9 5.5 79 81 A A H X S+ 0 0 17 -4,-3.1 4,-2.3 2,-0.2 -2,-0.2 0.921 113.2 48.1 -58.2 -47.1 13.4 28.2 6.2 80 82 A L H X S+ 0 0 17 -4,-2.7 4,-1.4 2,-0.2 -1,-0.2 0.961 113.3 47.1 -56.5 -53.2 10.4 27.2 4.2 81 83 A G H < S+ 0 0 12 -4,-2.6 4,-0.4 1,-0.2 3,-0.2 0.878 112.0 50.4 -58.9 -41.7 10.1 23.7 5.8 82 84 A E H >< S+ 0 0 128 -4,-2.8 3,-1.1 1,-0.2 4,-0.4 0.919 109.6 51.2 -62.6 -42.2 10.5 25.1 9.3 83 85 A G H 3< S+ 0 0 3 -4,-2.3 3,-0.2 1,-0.3 -1,-0.2 0.731 110.8 48.0 -66.7 -26.9 7.7 27.7 8.6 84 86 A L T >X S+ 0 0 5 -4,-1.4 3,-2.0 -3,-0.2 4,-0.6 0.361 82.2 94.5 -92.5 -0.9 5.3 25.1 7.4 85 87 A E G X4 S+ 0 0 86 -3,-1.1 3,-1.9 -4,-0.4 -1,-0.2 0.931 76.7 65.2 -60.5 -39.4 5.9 22.7 10.3 86 88 A E G 34 S+ 0 0 64 -4,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.639 99.0 54.3 -52.6 -17.1 2.8 24.3 12.0 87 89 A W G <4 S+ 0 0 40 -3,-2.0 -1,-0.3 2,-0.1 -2,-0.2 0.622 79.8 114.0 -93.9 -17.0 0.7 22.8 9.1 88 90 A R S << S- 0 0 113 -3,-1.9 -3,-0.0 -4,-0.6 7,-0.0 -0.366 80.1-108.2 -55.2 119.7 2.0 19.3 9.7 89 91 A P - 0 0 112 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.295 37.1-118.4 -47.5 128.3 -1.0 17.0 10.8 90 92 A F + 0 0 25 -3,-0.1 201,-0.0 5,-0.1 -3,-0.0 -0.644 37.9 172.0 -75.2 117.4 -0.4 16.2 14.6 91 93 A V >> - 0 0 76 -2,-0.5 4,-2.5 1,-0.1 3,-2.0 -0.949 26.8-143.4-124.6 116.4 0.0 12.5 15.3 92 94 A P T 34 S+ 0 0 48 0, 0.0 33,-0.4 0, 0.0 34,-0.2 0.800 95.8 47.2 -34.7 -57.4 1.1 11.8 18.9 93 95 A G T 34 S+ 0 0 41 1,-0.2 30,-0.1 30,-0.1 32,-0.0 0.645 123.7 33.0 -73.7 -16.0 3.4 8.9 18.4 94 96 A Q T <4 S+ 0 0 147 -3,-2.0 -1,-0.2 29,-0.1 29,-0.1 0.650 86.1 118.8-111.5 -20.9 5.2 10.6 15.5 95 97 A S < - 0 0 16 -4,-2.5 30,-0.3 1,-0.1 -5,-0.1 -0.140 37.4-172.1 -56.2 137.0 5.2 14.3 16.4 96 98 A Q + 0 0 137 30,-0.1 -1,-0.1 28,-0.1 30,-0.1 0.101 45.6 134.4-107.4 15.4 8.5 16.1 16.9 97 99 A R - 0 0 71 29,-0.1 30,-2.8 1,-0.1 2,-0.4 -0.259 50.4-132.9 -74.8 156.2 6.7 19.2 18.1 98 100 A T E -b 127 0B 42 28,-0.2 2,-0.6 30,-0.0 30,-0.2 -0.894 7.7-153.6 -99.5 132.4 7.4 21.5 21.1 99 101 A F E -b 128 0B 0 28,-2.4 30,-2.8 -2,-0.4 2,-0.6 -0.954 12.5-153.0-101.8 123.1 4.7 22.6 23.6 100 102 A V E -b 129 0B 22 -2,-0.6 48,-2.0 28,-0.2 49,-1.9 -0.883 15.2-175.1 -97.1 121.1 5.6 26.0 25.2 101 103 A F E -bc 130 149B 0 28,-2.5 30,-2.4 -2,-0.6 2,-0.4 -0.975 23.8-139.5-117.2 131.1 4.1 26.5 28.6 102 104 A A E +bc 131 150B 4 47,-2.4 49,-1.7 -2,-0.4 2,-0.3 -0.720 48.5 149.3 -77.5 133.1 4.3 29.6 30.9 103 105 A A - 0 0 5 28,-2.6 30,-0.5 -2,-0.4 2,-0.2 -0.865 43.4-126.4-154.0 178.8 4.7 28.1 34.3 104 106 A T > - 0 0 13 -2,-0.3 4,-2.0 28,-0.1 5,-0.2 -0.754 44.2 -96.5-122.7 177.8 6.3 28.6 37.8 105 107 A D H > S+ 0 0 8 125,-0.4 4,-2.4 -2,-0.2 5,-0.1 0.880 123.9 53.1 -64.7 -35.6 8.5 26.2 39.6 106 108 A Y H > S+ 0 0 11 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.917 110.0 43.9 -64.8 -45.3 5.6 24.8 41.5 107 109 A T H > S+ 0 0 3 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.851 114.0 53.2 -73.0 -30.7 3.4 24.0 38.4 108 110 A A H X S+ 0 0 0 -4,-2.0 4,-1.4 2,-0.2 -2,-0.2 0.912 111.3 45.6 -60.1 -47.8 6.5 22.6 36.7 109 111 A F H < S+ 0 0 12 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.875 117.2 45.1 -59.7 -38.6 7.1 20.4 39.7 110 112 A A H < S+ 0 0 3 -4,-2.3 -2,-0.2 -5,-0.1 -3,-0.2 0.912 124.2 29.5 -75.7 -44.3 3.4 19.4 39.8 111 113 A L H X S+ 0 0 8 -4,-2.8 4,-2.3 -5,-0.1 5,-0.3 0.951 109.2 58.8 -81.6 -56.1 2.9 18.7 36.1 112 114 A L H X S+ 0 0 1 -4,-1.4 4,-2.6 -5,-0.3 5,-0.4 0.824 97.1 56.1 -55.6 -50.0 6.1 17.6 34.5 113 115 A P H > S+ 0 0 10 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.953 119.2 30.3 -53.2 -56.5 7.0 14.4 36.5 114 116 A P H > S+ 0 0 34 0, 0.0 4,-1.3 0, 0.0 5,-0.2 0.914 119.9 52.4 -70.4 -42.6 3.7 12.5 35.8 115 117 A L H >X S+ 0 0 8 -4,-2.3 4,-3.5 1,-0.2 3,-0.6 0.964 117.4 38.7 -54.7 -49.6 3.0 14.1 32.4 116 118 A M H 3X S+ 0 0 0 -4,-2.6 4,-1.6 -5,-0.3 -1,-0.2 0.732 101.8 69.2 -78.7 -22.8 6.4 13.1 31.0 117 119 A N H 3< S+ 0 0 81 -4,-1.6 4,-0.2 -5,-0.4 -1,-0.2 0.910 117.2 28.6 -53.7 -35.7 6.6 9.8 32.7 118 120 A R H XX S+ 0 0 92 -4,-1.3 4,-2.8 -3,-0.6 3,-1.5 0.908 117.5 55.0 -91.3 -51.8 3.8 9.0 30.2 119 121 A L H 3X S+ 0 0 0 -4,-3.5 4,-2.2 1,-0.3 7,-0.2 0.749 96.6 68.2 -56.8 -24.0 4.6 11.2 27.3 120 122 A Q H 3< S+ 0 0 17 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.1 0.809 115.7 25.4 -66.9 -29.8 8.1 9.8 27.1 121 123 A H H <4 S+ 0 0 128 -3,-1.5 -2,-0.2 -4,-0.2 -1,-0.1 0.833 127.0 47.9 -96.6 -48.0 6.8 6.4 25.9 122 124 A S H < S+ 0 0 53 -4,-2.8 -3,-0.2 1,-0.3 -2,-0.2 0.789 132.5 13.0 -67.4 -33.7 3.4 7.7 24.3 123 125 A A S >< S+ 0 0 0 -4,-2.2 3,-1.4 -5,-0.3 -1,-0.3 -0.568 73.5 176.6-141.9 71.3 4.9 10.6 22.3 124 126 A P T 3 S+ 0 0 61 0, 0.0 -31,-0.1 0, 0.0 -2,-0.1 0.540 78.4 45.2 -64.1 -7.8 8.6 10.0 22.3 125 127 A G T 3 S+ 0 0 8 -33,-0.4 2,-0.2 -30,-0.3 -32,-0.1 0.529 84.7 105.9-110.2 -11.5 9.5 12.9 20.0 126 128 A V < - 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