==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE INHIBITOR 25-MAY-09 2WJ9 . COMPND 2 MOLECULE: INTERGENIC-REGION PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR N.D.WEIKART,G.ROBERTS,K.A.JOHNSON,M.OKE,L.P.COOPER,S.A.MCMAH . 283 6 4 1 3 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13184.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 182 64.3 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 . 34 12.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 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 . 12 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 108 38.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 2 1 1 0 0 0 2 0 0 1 1 0 0 0 2 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 . 1 0 2 0 4 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 ANTIPARALLEL BRIDGES PER LADDER . 1 3 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 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 9 A T 0 0 114 0, 0.0 30,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 -12.2 -34.5 18.0 -5.5 2 10 A S - 0 0 32 28,-0.5 2,-0.4 2,-0.0 64,-0.1 -0.476 360.0-158.7-106.6 138.2 -32.9 16.9 -1.8 3 11 A S - 0 0 36 2,-0.1 253,-0.1 -2,-0.1 256,-0.0 -0.991 27.4-139.8-122.5 145.7 -34.6 18.4 1.2 4 12 A A S S+ 0 0 0 -2,-0.4 2,-0.6 251,-0.2 256,-0.1 0.568 79.4 102.9 -74.6 -10.8 -33.5 18.9 4.8 5 13 A a - 0 0 40 251,-0.2 -2,-0.1 250,-0.1 248,-0.1 -0.675 54.2-171.2 -76.7 118.4 -37.0 17.9 5.9 6 14 A A + 0 0 3 -2,-0.6 250,-0.1 246,-0.3 249,-0.1 -0.894 10.7 175.6-115.3 98.3 -36.9 14.3 7.2 7 15 A P + 0 0 103 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 0.611 45.0 105.9 -79.4 -14.3 -40.5 12.9 7.8 8 16 A E + 0 0 9 1,-0.1 3,-0.1 57,-0.1 -2,-0.1 -0.436 32.9 163.5 -74.2 139.6 -39.5 9.3 8.7 9 17 A T + 0 0 20 -2,-0.1 -1,-0.1 1,-0.1 279,-0.1 0.644 62.6 27.3-114.2 -77.9 -39.8 8.3 12.4 10 18 A G S S- 0 0 21 274,-0.2 2,-1.4 1,-0.1 -1,-0.1 0.034 115.8 -55.6 -73.2-169.5 -39.8 4.5 12.8 11 19 A L - 0 0 140 -3,-0.1 -1,-0.1 3,-0.0 2,-0.1 -0.569 64.3-159.8 -77.3 93.9 -38.2 2.1 10.3 12 20 A Q - 0 0 70 -2,-1.4 2,-0.5 1,-0.1 53,-0.0 -0.429 25.3-104.8 -76.1 147.6 -39.8 3.1 7.0 13 21 A Q - 0 0 142 -2,-0.1 2,-0.3 51,-0.0 -1,-0.1 -0.625 42.5-151.8 -73.0 119.7 -39.8 0.6 4.1 14 22 A L - 0 0 10 -2,-0.5 2,-0.4 111,-0.1 49,-0.0 -0.741 12.5-166.9-103.8 142.3 -37.2 1.9 1.6 15 23 A V - 0 0 79 -2,-0.3 49,-1.2 2,-0.0 2,-0.5 -0.988 11.0-148.1-128.1 133.1 -37.2 1.4 -2.2 16 24 A A E -A 63 0A 27 -2,-0.4 2,-0.5 47,-0.2 47,-0.2 -0.878 16.1-165.9 -97.8 131.3 -34.3 2.0 -4.6 17 25 A T E -A 62 0A 80 45,-2.5 45,-2.2 -2,-0.5 -2,-0.0 -0.977 21.1-120.9-122.1 126.4 -35.4 3.1 -8.1 18 26 A I E -A 61 0A 92 -2,-0.5 43,-0.2 43,-0.2 41,-0.0 -0.320 30.0-115.7 -64.0 142.5 -33.1 3.1 -11.1 19 27 A V - 0 0 9 41,-2.7 41,-0.3 1,-0.1 5,-0.1 -0.702 33.1-115.0 -81.3 126.0 -32.6 6.5 -12.8 20 28 A P >> - 0 0 48 0, 0.0 3,-1.1 0, 0.0 4,-0.9 -0.253 23.8-113.1 -60.2 149.4 -33.9 6.5 -16.4 21 29 A D H >> S+ 0 0 130 1,-0.3 3,-1.0 2,-0.2 4,-0.6 0.873 117.5 58.0 -50.1 -42.2 -31.4 7.0 -19.1 22 30 A E H 34 S+ 0 0 155 1,-0.2 3,-0.3 2,-0.1 -1,-0.3 0.854 110.8 41.1 -53.6 -42.4 -32.9 10.4 -19.9 23 31 A Q H X4 S+ 0 0 102 -3,-1.1 3,-0.6 1,-0.2 4,-0.4 0.454 88.8 91.9 -91.9 -4.2 -32.4 11.6 -16.4 24 32 A R H X< S+ 0 0 81 -3,-1.0 3,-1.8 -4,-0.9 4,-0.4 0.921 81.1 58.0 -55.4 -47.3 -28.8 10.2 -15.9 25 33 A I T 3< S+ 0 0 152 -4,-0.6 -1,-0.2 -3,-0.3 3,-0.2 0.802 110.9 41.9 -55.9 -33.5 -27.1 13.3 -17.1 26 34 A S T <> S+ 0 0 42 -3,-0.6 4,-1.9 -4,-0.2 -1,-0.3 0.366 87.0 100.7 -97.0 4.6 -28.8 15.5 -14.4 27 35 A F H <> S+ 0 0 4 -3,-1.8 4,-1.9 -4,-0.4 5,-0.3 0.936 81.1 43.1 -57.6 -55.7 -28.4 13.0 -11.5 28 36 A W H > S+ 0 0 27 -4,-0.4 4,-2.6 1,-0.2 5,-0.4 0.939 117.6 41.9 -65.2 -50.2 -25.4 14.5 -9.7 29 37 A P H > S+ 0 0 58 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.887 113.8 54.8 -64.3 -34.2 -26.3 18.2 -9.8 30 38 A Q H < S+ 0 0 85 -4,-1.9 -28,-0.5 1,-0.2 -2,-0.2 0.884 122.3 25.4 -64.9 -39.5 -30.0 17.4 -9.0 31 39 A H H < S+ 0 0 21 -4,-1.9 -1,-0.2 -5,-0.2 -3,-0.2 0.712 140.5 19.9 -99.3 -24.0 -29.2 15.5 -5.8 32 40 A F H >< S+ 0 0 2 -4,-2.6 3,-2.3 -5,-0.3 -2,-0.2 0.363 84.5 112.6-126.6 2.1 -25.8 16.9 -4.7 33 41 A G T 3< S+ 0 0 26 -4,-1.6 5,-0.1 -5,-0.4 -3,-0.1 0.626 74.8 56.2 -63.8 -20.5 -25.5 20.3 -6.5 34 42 A L T 3 S+ 0 0 168 -5,-0.1 -1,-0.3 -4,-0.1 81,-0.1 0.366 90.6 94.0 -88.1 4.2 -25.7 22.5 -3.4 35 43 A I S X S- 0 0 9 -3,-2.3 3,-1.5 80,-0.1 -3,-0.0 -0.851 85.6-108.7-101.9 125.8 -22.7 20.7 -1.9 36 44 A P T 3 S+ 0 0 56 0, 0.0 77,-0.1 0, 0.0 -2,-0.1 -0.229 101.6 8.0 -48.0 136.7 -19.1 22.1 -2.3 37 45 A Q T > S+ 0 0 109 -4,-0.1 3,-1.9 1,-0.1 4,-0.3 0.740 78.9 151.8 59.7 30.2 -17.0 20.0 -4.7 38 46 A W G X + 0 0 74 -3,-1.5 3,-1.6 1,-0.3 4,-0.5 0.809 63.4 67.8 -60.1 -29.4 -20.0 17.8 -5.7 39 47 A V G 3 S+ 0 0 98 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.691 94.6 59.1 -63.1 -19.7 -18.4 17.2 -9.1 40 48 A T G <> S+ 0 0 38 -3,-1.9 4,-2.0 1,-0.2 -1,-0.3 0.585 83.5 82.7 -82.8 -11.6 -15.7 15.2 -7.3 41 49 A L H <> S+ 0 0 0 -3,-1.6 4,-2.2 -4,-0.3 5,-0.2 0.930 87.4 51.9 -63.2 -46.9 -18.2 12.7 -5.8 42 50 A E H > S+ 0 0 84 -4,-0.5 4,-2.0 1,-0.2 3,-0.3 0.952 113.2 42.1 -56.4 -57.0 -18.4 10.4 -8.9 43 51 A P H > S+ 0 0 66 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.872 112.8 55.5 -60.6 -31.5 -14.6 9.9 -9.3 44 52 A R H X S+ 0 0 86 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.835 106.5 50.0 -69.5 -33.1 -14.2 9.5 -5.5 45 53 A V H X S+ 0 0 0 -4,-2.2 4,-2.1 -3,-0.3 -1,-0.2 0.933 110.4 49.8 -65.6 -47.0 -16.8 6.7 -5.5 46 54 A F H X S+ 0 0 67 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.881 111.9 50.7 -54.8 -41.1 -14.9 5.0 -8.4 47 55 A G H X S+ 0 0 29 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.869 106.7 51.1 -66.4 -41.4 -11.8 5.4 -6.3 48 56 A W H X S+ 0 0 20 -4,-2.1 4,-3.0 2,-0.2 5,-0.2 0.887 110.4 50.7 -64.7 -37.3 -13.2 3.9 -3.1 49 57 A M H X S+ 0 0 10 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.909 110.0 49.8 -63.9 -42.7 -14.3 0.9 -5.2 50 58 A D H < S+ 0 0 131 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.926 115.0 45.3 -55.8 -47.7 -10.7 0.7 -6.6 51 59 A R H < S+ 0 0 182 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.911 117.5 41.4 -62.8 -50.0 -9.4 0.8 -3.0 52 60 A L H < 0 0 3 -4,-3.0 28,-2.7 -5,-0.1 -1,-0.2 0.808 360.0 360.0 -73.4 -33.8 -11.8 -1.7 -1.5 53 61 A b < 0 0 71 -4,-2.3 -2,-0.1 -5,-0.2 -3,-0.1 0.995 360.0 360.0 -63.6 360.0 -11.8 -4.2 -4.3 54 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 55 65 A b 0 0 112 0, 0.0 -2,-0.1 0, 0.0 22,-0.0 0.000 360.0 360.0 360.0 360.0 -14.3 -6.0 -9.9 56 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 57 68 A I 0 0 151 0, 0.0 16,-1.7 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 142.8 -21.0 -0.0 -16.1 58 69 A W E - B 0 72A 43 14,-0.2 2,-0.4 15,-0.1 12,-0.0 -0.768 360.0-149.5-100.0 146.0 -22.6 1.8 -13.1 59 70 A N E - B 0 71A 23 12,-2.6 12,-2.1 -2,-0.3 2,-0.4 -0.895 13.4-135.0-108.9 147.1 -26.3 2.3 -12.6 60 71 A L E - B 0 70A 12 -2,-0.4 -41,-2.7 -41,-0.3 2,-0.3 -0.819 23.8-170.0-102.5 142.5 -27.7 5.4 -10.7 61 72 A Y E -AB 18 69A 38 8,-3.0 8,-2.1 -2,-0.4 2,-0.3 -0.974 15.0-154.1-135.3 145.9 -30.4 5.0 -8.1 62 73 A T E -AB 17 68A 40 -45,-2.2 -45,-2.5 -2,-0.3 2,-0.3 -0.879 15.2-144.1-111.4 152.2 -32.7 7.2 -6.0 63 74 A L E > -A 16 0A 10 4,-2.7 3,-1.8 -2,-0.3 -47,-0.2 -0.871 20.2-124.2-114.1 149.1 -34.2 6.3 -2.6 64 75 A N T 3 S+ 0 0 84 -49,-1.2 -48,-0.1 -2,-0.3 4,-0.0 0.454 110.0 61.0 -75.0 0.9 -37.7 7.2 -1.3 65 76 A N T 3 S- 0 0 12 -50,-0.2 -1,-0.3 57,-0.1 -57,-0.1 0.273 128.8 -93.7-100.3 8.0 -36.2 8.9 1.8 66 77 A G S < S+ 0 0 28 -3,-1.8 -2,-0.1 1,-0.3 57,-0.1 0.372 86.1 131.4 94.2 -1.9 -34.4 11.4 -0.4 67 78 A G - 0 0 1 55,-0.2 -4,-2.7 -65,-0.1 -1,-0.3 -0.214 34.8-168.2 -74.5 171.7 -31.1 9.4 -0.6 68 79 A A E +B 62 0A 0 -6,-0.3 2,-0.3 51,-0.2 -6,-0.2 -0.971 12.8 153.6-160.2 146.2 -29.2 8.6 -3.8 69 80 A F E -B 61 0A 0 -8,-2.1 -8,-3.0 -2,-0.3 2,-0.3 -0.948 28.3-126.8-158.9 176.8 -26.3 6.3 -4.8 70 81 A M E -B 60 0A 2 -2,-0.3 30,-0.2 26,-0.3 -10,-0.2 -0.986 19.1-177.2-135.6 151.7 -24.7 4.3 -7.6 71 82 A A E -B 59 0A 1 -12,-2.1 -12,-2.6 -2,-0.3 22,-0.2 -0.993 22.1-123.5-148.5 141.2 -23.7 0.7 -7.9 72 83 A P E B 58 0A 14 0, 0.0 -14,-0.2 0, 0.0 24,-0.2 -0.368 360.0 360.0 -82.2 161.8 -22.0 -1.3 -10.7 73 84 A E 0 0 169 -16,-1.7 -15,-0.1 -2,-0.1 20,-0.1 0.576 360.0 360.0-126.2 360.0 -23.4 -4.5 -12.3 74 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 75 91 A E 0 0 192 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 148.1 -21.2 -12.8 -8.9 76 92 A T - 0 0 82 15,-0.2 2,-0.3 16,-0.1 15,-0.2 -0.996 360.0-153.6-134.3 139.5 -19.7 -12.0 -5.5 77 93 A W E -C 90 0B 28 13,-3.2 13,-2.6 -2,-0.4 2,-0.5 -0.805 12.0-132.9-110.4 153.7 -16.7 -9.8 -4.8 78 94 A V E -C 89 0B 70 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.946 25.7-167.0-106.6 120.5 -14.3 -9.8 -1.9 79 95 A L E -C 88 0B 0 9,-2.7 9,-2.3 -2,-0.5 2,-0.4 -0.792 6.8-165.2-108.3 149.5 -13.6 -6.3 -0.4 80 96 A F E -C 87 0B 73 -28,-2.7 2,-0.6 -2,-0.3 7,-0.2 -0.991 5.0-162.4-136.4 125.2 -10.9 -5.2 2.1 81 97 A N E >>> -C 86 0B 8 5,-2.4 4,-2.1 -2,-0.4 3,-0.8 -0.923 2.7-166.8-108.6 110.3 -10.7 -2.0 4.1 82 98 A A T 345S+ 0 0 81 -2,-0.6 -1,-0.1 1,-0.2 5,-0.0 0.698 82.3 72.0 -67.4 -20.9 -7.3 -1.2 5.4 83 99 A M T 345S+ 0 0 132 1,-0.2 -1,-0.2 3,-0.1 57,-0.1 0.874 121.5 11.4 -61.8 -38.9 -8.7 1.5 7.8 84 100 A N T <45S- 0 0 49 -3,-0.8 -2,-0.2 55,-0.2 -1,-0.2 0.468 99.8-121.3-118.3 -8.0 -10.2 -1.2 10.1 85 101 A G T <5 + 0 0 45 -4,-2.1 2,-0.3 1,-0.2 -3,-0.2 0.583 62.3 143.4 79.1 12.5 -8.6 -4.4 8.7 86 102 A N E < -C 81 0B 25 -5,-0.8 -5,-2.4 53,-0.2 2,-0.3 -0.643 32.9-164.0 -93.0 141.7 -11.9 -6.1 7.8 87 103 A R E +C 80 0B 142 -2,-0.3 2,-0.3 -7,-0.2 -7,-0.2 -0.923 12.9 175.7-118.0 145.9 -12.6 -8.3 4.8 88 104 A A E -C 79 0B 11 -9,-2.3 -9,-2.7 -2,-0.3 2,-0.4 -0.972 26.3-134.5-155.9 140.6 -16.1 -9.2 3.5 89 105 A E E +C 78 0B 137 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.775 42.6 142.5 -92.7 132.0 -17.8 -11.0 0.6 90 106 A M E -C 77 0B 1 -13,-2.6 -13,-3.2 -2,-0.4 -2,-0.0 -0.988 47.9 -82.5-160.7 167.5 -20.8 -9.3 -1.1 91 107 A S > - 0 0 23 -2,-0.3 4,-2.6 -15,-0.2 5,-0.2 -0.284 44.6-107.8 -68.6 157.8 -22.7 -8.5 -4.3 92 108 A P H > S+ 0 0 18 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.875 122.4 53.8 -53.3 -40.0 -21.6 -5.7 -6.8 93 109 A E H > S+ 0 0 55 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.945 109.9 46.7 -56.6 -50.3 -24.7 -3.7 -5.6 94 110 A A H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.885 110.2 53.5 -61.5 -41.9 -23.6 -4.1 -1.9 95 111 A A H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 -1,-0.2 0.901 108.2 50.1 -58.7 -43.7 -20.1 -3.1 -2.8 96 112 A G H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 -26,-0.3 0.895 109.0 51.2 -61.9 -42.7 -21.4 0.1 -4.5 97 113 A I H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.939 111.9 48.5 -59.9 -45.9 -23.5 1.0 -1.5 98 114 A A H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.912 110.7 49.8 -58.7 -48.4 -20.3 0.5 0.7 99 115 A A H X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.915 112.4 48.1 -58.0 -43.2 -18.2 2.7 -1.7 100 116 A C H X S+ 0 0 0 -4,-2.6 4,-2.9 -30,-0.2 5,-0.2 0.921 108.4 53.6 -66.1 -43.0 -20.8 5.4 -1.6 101 117 A L H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 5,-0.2 0.894 111.4 46.0 -59.3 -41.3 -21.1 5.4 2.2 102 118 A M H X S+ 0 0 7 -4,-2.0 4,-2.3 2,-0.2 5,-0.2 0.914 113.2 49.9 -66.8 -43.8 -17.4 5.8 2.6 103 119 A T H X S+ 0 0 2 -4,-2.2 4,-2.2 -5,-0.2 -2,-0.2 0.920 113.9 44.8 -59.4 -46.3 -17.3 8.6 -0.0 104 120 A Y H X S+ 0 0 0 -4,-2.9 4,-2.2 2,-0.2 -2,-0.2 0.924 114.0 47.5 -67.8 -46.4 -20.2 10.5 1.7 105 121 A S H X S+ 0 0 10 -4,-2.3 4,-1.7 -5,-0.2 44,-0.3 0.933 114.8 46.8 -61.4 -45.4 -18.9 10.2 5.2 106 122 A H H X S+ 0 0 62 -4,-2.3 4,-2.3 -5,-0.2 -1,-0.2 0.901 111.5 50.4 -65.0 -39.7 -15.4 11.3 4.2 107 123 A H H X S+ 0 0 0 -4,-2.2 4,-2.3 -5,-0.2 6,-0.4 0.848 105.8 57.1 -70.1 -32.2 -16.7 14.3 2.1 108 124 A A H X S+ 0 0 2 -4,-2.2 4,-1.9 2,-0.2 5,-0.4 0.916 110.3 43.9 -60.6 -43.9 -18.8 15.4 5.1 109 125 A c H < S+ 0 0 48 -4,-1.7 -2,-0.2 2,-0.2 -1,-0.2 0.902 114.1 51.1 -65.6 -41.7 -15.7 15.6 7.2 110 126 A R H < S+ 0 0 121 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.877 125.0 24.1 -62.3 -41.4 -13.7 17.3 4.4 111 127 A T H < S- 0 0 29 -4,-2.3 -1,-0.2 2,-0.1 -2,-0.2 0.596 89.7-132.9-103.4 -15.7 -16.2 20.0 3.8 112 128 A E < + 0 0 83 -4,-1.9 2,-0.7 -5,-0.3 -3,-0.1 0.764 55.0 150.1 54.3 31.2 -18.2 20.4 7.1 113 129 A C >> - 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