==== 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 LIGASE 02-AUG-10 3O83 . COMPND 2 MOLECULE: PEPTIDE ARYLATION ENZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ACINETOBACTER BAUMANNII; . AUTHOR E.J.DRAKE,B.P.DUCKWORTH,J.NERES,C.C.ALDRICH,A.M.GULICK . 869 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34615.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 590 67.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 84 9.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 90 10.4 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 . 8 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 41 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 93 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 232 26.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 19 2.2 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 2 6 4 2 4 0 6 0 2 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 6 2 6 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 PARALLEL BRIDGES PER LADDER . 4 2 3 4 6 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 . 0 0 0 0 0 2 0 2 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 3 A K 0 0 129 0, 0.0 2,-0.6 0, 0.0 75,-0.1 0.000 360.0 360.0 360.0 -50.0 -9.8 -13.7 42.9 2 4 A Q - 0 0 158 73,-0.1 3,-0.1 74,-0.1 2,-0.1 -0.700 360.0-143.2 -90.6 118.6 -9.3 -11.0 40.2 3 5 A L - 0 0 51 -2,-0.6 72,-0.0 1,-0.1 -1,-0.0 -0.401 37.2 -81.3 -74.1 149.9 -12.2 -10.4 37.7 4 6 A I - 0 0 21 185,-0.2 185,-0.4 73,-0.1 2,-0.2 -0.208 51.4-120.6 -47.9 132.8 -11.5 -9.6 34.1 5 7 A E + 0 0 141 -3,-0.1 2,-0.3 183,-0.1 393,-0.1 -0.566 43.2 152.9 -82.0 145.1 -10.8 -5.9 33.6 6 8 A F - 0 0 35 -2,-0.2 2,-0.6 391,-0.1 390,-0.1 -0.952 50.0 -84.7-160.1 168.2 -12.9 -3.6 31.4 7 9 A V - 0 0 66 388,-0.4 387,-0.5 -2,-0.3 388,-0.2 -0.772 47.1-145.0 -88.9 120.1 -13.9 -0.0 31.0 8 10 A R - 0 0 141 -2,-0.6 2,-0.1 386,-0.1 180,-0.0 -0.418 15.2-110.9 -81.0 153.3 -16.9 0.8 33.3 9 11 A W - 0 0 21 1,-0.1 -1,-0.1 -2,-0.1 385,-0.0 -0.476 51.0 -88.6 -66.1 153.3 -19.8 3.1 32.5 10 12 A S > - 0 0 48 -2,-0.1 4,-2.3 1,-0.1 3,-0.3 -0.326 38.4-114.3 -57.5 149.9 -19.7 6.3 34.8 11 13 A P H > S+ 0 0 113 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.823 115.9 58.2 -60.8 -27.4 -21.7 5.7 38.0 12 14 A E H > S+ 0 0 162 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.905 108.8 44.0 -66.5 -42.9 -24.3 8.3 37.0 13 15 A R H > S+ 0 0 25 -3,-0.3 4,-2.6 2,-0.2 5,-0.2 0.906 111.6 54.2 -67.3 -41.3 -25.1 6.4 33.8 14 16 A A H X S+ 0 0 13 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.929 110.1 46.2 -61.1 -44.5 -25.1 3.0 35.7 15 17 A Q H X S+ 0 0 123 -4,-2.3 4,-3.1 1,-0.2 -1,-0.2 0.931 111.4 52.6 -63.6 -45.3 -27.7 4.3 38.1 16 18 A H H X S+ 0 0 75 -4,-2.1 4,-2.3 1,-0.2 6,-0.2 0.927 108.3 50.1 -55.2 -46.2 -29.8 5.8 35.3 17 19 A Y H <>S+ 0 0 3 -4,-2.6 5,-1.9 1,-0.2 6,-1.6 0.840 113.2 46.4 -67.2 -31.6 -29.9 2.5 33.5 18 20 A R H ><5S+ 0 0 79 -4,-1.8 3,-1.5 4,-0.2 -2,-0.2 0.926 110.5 52.8 -68.7 -47.6 -31.0 0.7 36.7 19 21 A N H 3<5S+ 0 0 113 -4,-3.1 -2,-0.2 1,-0.3 -3,-0.2 0.853 109.2 50.1 -56.7 -37.4 -33.6 3.4 37.4 20 22 A K T 3<5S- 0 0 107 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.594 116.4-116.4 -76.8 -10.2 -35.0 2.9 33.9 21 23 A G T < 5S+ 0 0 37 -3,-1.5 -3,-0.2 -4,-0.3 -2,-0.1 0.568 84.5 117.2 83.6 10.0 -35.1 -0.9 34.4 22 24 A Y S - 0 0 30 0, 0.0 3,-2.2 0, 0.0 4,-0.2 -0.367 33.7-107.3 -68.9 160.0 -26.7 -13.0 35.1 28 30 A L T > S+ 0 0 1 1,-0.3 3,-1.5 2,-0.2 4,-0.4 0.736 115.8 76.9 -57.9 -22.2 -27.4 -14.1 31.5 29 31 A T T 3> S+ 0 0 13 1,-0.3 4,-2.9 2,-0.2 3,-0.5 0.682 70.6 86.9 -64.6 -15.7 -28.3 -17.5 32.9 30 32 A R H <> S+ 0 0 31 -3,-2.2 4,-3.0 1,-0.2 5,-0.4 0.890 80.6 60.3 -44.4 -46.6 -31.6 -15.8 33.9 31 33 A I H <> S+ 0 0 4 -3,-1.5 4,-1.6 1,-0.2 -1,-0.2 0.920 112.6 36.3 -51.5 -48.5 -32.9 -16.6 30.4 32 34 A L H > S+ 0 0 1 -3,-0.5 4,-2.6 -4,-0.4 -2,-0.2 0.917 116.0 52.9 -72.9 -47.3 -32.5 -20.4 31.1 33 35 A T H X S+ 0 0 59 -4,-2.9 4,-2.0 2,-0.2 -2,-0.2 0.925 112.9 43.8 -53.5 -49.7 -33.5 -20.3 34.8 34 36 A V H X S+ 0 0 56 -4,-3.0 4,-2.5 -5,-0.2 5,-0.2 0.912 112.1 52.7 -69.0 -42.4 -36.8 -18.5 34.1 35 37 A G H X S+ 0 0 4 -4,-1.6 4,-3.2 -5,-0.4 -1,-0.2 0.912 109.1 50.4 -56.4 -45.1 -37.6 -20.7 31.1 36 38 A V H < S+ 0 0 27 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.897 111.1 48.9 -61.2 -42.6 -37.0 -23.8 33.2 37 39 A Q H < S+ 0 0 144 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.929 122.7 32.3 -58.2 -47.6 -39.4 -22.4 35.9 38 40 A S H < S+ 0 0 85 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.2 0.817 139.4 3.0 -86.7 -37.4 -42.1 -21.5 33.4 39 41 A H >< + 0 0 46 -4,-3.2 3,-1.5 -5,-0.2 15,-0.4 -0.400 62.8 167.9-154.0 63.7 -42.0 -24.2 30.7 40 42 A P T 3 S+ 0 0 34 0, 0.0 15,-2.8 0, 0.0 16,-0.4 0.790 80.6 46.6 -56.3 -30.8 -39.3 -26.8 31.4 41 43 A H T 3 S+ 0 0 146 13,-0.2 2,-0.1 12,-0.2 -5,-0.1 0.434 83.4 108.7 -99.9 -0.9 -40.5 -29.1 28.6 42 44 A S S < S- 0 0 49 -3,-1.5 12,-1.8 -7,-0.2 2,-0.3 -0.443 82.5 -96.3 -65.3 151.0 -40.9 -26.6 25.7 43 45 A L E +A 53 0A 43 10,-0.2 10,-0.3 1,-0.2 3,-0.1 -0.541 43.2 172.4 -71.8 130.7 -38.3 -27.0 23.0 44 46 A A E + 0 0 0 8,-3.1 213,-2.7 1,-0.3 2,-0.4 0.764 68.5 21.9-103.9 -41.9 -35.4 -24.6 23.3 45 47 A I E -Ab 52 257A 1 7,-2.3 7,-3.2 211,-0.2 2,-0.5 -0.993 54.9-167.9-135.9 130.9 -33.1 -26.0 20.6 46 48 A I E +Ab 51 258A 1 211,-3.4 213,-3.0 -2,-0.4 2,-0.4 -0.978 18.5 169.4-111.6 123.1 -33.7 -28.1 17.4 47 49 A C E > -A 50 0A 12 3,-1.8 3,-2.7 -2,-0.5 2,-0.3 -0.880 59.4 -57.8-140.1 105.4 -30.5 -29.4 15.9 48 50 A G T 3 S- 0 0 48 211,-0.4 211,-0.0 -2,-0.4 38,-0.0 -0.490 124.3 -15.0 62.6-118.7 -30.6 -32.0 13.1 49 51 A E T 3 S+ 0 0 150 -2,-0.3 -1,-0.3 -3,-0.1 2,-0.2 0.448 119.2 102.1 -90.9 -3.3 -32.5 -34.9 14.7 50 52 A R E < -A 47 0A 94 -3,-2.7 -3,-1.8 2,-0.0 2,-0.4 -0.532 49.0-168.5 -88.1 148.0 -32.1 -33.5 18.2 51 53 A Q E -A 46 0A 120 -5,-0.2 2,-0.6 -2,-0.2 -5,-0.2 -0.943 7.6-169.2-133.6 110.6 -34.7 -31.7 20.3 52 54 A L E -A 45 0A 20 -7,-3.2 -8,-3.1 -2,-0.4 -7,-2.3 -0.907 9.1-151.7-102.9 122.2 -33.4 -30.1 23.5 53 55 A S E > -A 43 0A 8 -2,-0.6 4,-2.7 -10,-0.3 -10,-0.2 -0.294 32.2-101.9 -78.6 171.2 -36.0 -28.8 26.0 54 56 A Y H > S+ 0 0 0 -12,-1.8 4,-2.3 -15,-0.4 -18,-0.2 0.950 124.1 46.6 -57.2 -49.1 -35.4 -25.9 28.3 55 57 A I H > S+ 0 0 35 -15,-2.8 4,-3.2 1,-0.2 -1,-0.2 0.873 112.0 50.8 -66.4 -34.9 -34.8 -28.2 31.3 56 58 A E H > S+ 0 0 76 -16,-0.4 4,-2.8 2,-0.2 5,-0.3 0.936 110.1 49.1 -65.3 -45.7 -32.5 -30.4 29.2 57 59 A L H X S+ 0 0 0 -4,-2.7 4,-2.0 2,-0.2 5,-0.2 0.901 113.8 48.0 -56.9 -41.5 -30.5 -27.4 28.1 58 60 A D H X S+ 0 0 34 -4,-2.3 4,-2.5 -5,-0.2 -2,-0.2 0.968 113.0 46.5 -65.5 -51.9 -30.3 -26.4 31.8 59 61 A R H X S+ 0 0 131 -4,-3.2 4,-2.9 1,-0.2 -2,-0.2 0.904 114.3 47.3 -56.0 -46.7 -29.2 -29.8 33.0 60 62 A L H X S+ 0 0 40 -4,-2.8 4,-2.0 2,-0.2 -1,-0.2 0.874 113.4 46.1 -68.1 -40.6 -26.6 -30.3 30.3 61 63 A S H X S+ 0 0 0 -4,-2.0 4,-2.3 -5,-0.3 -1,-0.2 0.854 113.0 51.4 -69.8 -34.8 -25.0 -26.9 30.8 62 64 A T H X S+ 0 0 49 -4,-2.5 4,-2.7 -5,-0.2 -2,-0.2 0.954 107.5 54.3 -62.5 -47.0 -25.1 -27.4 34.6 63 65 A N H X S+ 0 0 37 -4,-2.9 4,-1.7 1,-0.2 112,-0.2 0.929 111.7 42.9 -48.1 -55.1 -23.3 -30.8 34.0 64 66 A L H X S+ 0 0 0 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.898 110.6 55.6 -63.8 -42.1 -20.5 -29.2 32.1 65 67 A A H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 5,-0.2 0.929 107.0 50.8 -55.4 -47.3 -20.2 -26.2 34.6 66 68 A T H X S+ 0 0 33 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.884 109.4 50.9 -59.1 -40.7 -19.7 -28.7 37.5 67 69 A R H X S+ 0 0 36 -4,-1.7 4,-1.0 103,-0.3 -1,-0.2 0.864 112.7 45.2 -65.2 -37.5 -17.0 -30.5 35.5 68 70 A L H <>S+ 0 0 0 -4,-2.1 5,-2.3 2,-0.2 3,-0.4 0.917 113.4 49.3 -72.6 -43.6 -15.1 -27.3 34.8 69 71 A A H ><5S+ 0 0 6 -4,-2.7 3,-2.1 1,-0.2 -2,-0.2 0.893 105.4 59.2 -58.7 -42.2 -15.5 -26.0 38.4 70 72 A E H 3<5S+ 0 0 45 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.832 104.5 51.4 -56.1 -34.3 -14.2 -29.4 39.6 71 73 A K T 3<5S- 0 0 90 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.197 125.3-101.3 -91.1 15.0 -11.0 -28.8 37.7 72 74 A G T < 5S+ 0 0 56 -3,-2.1 2,-0.6 1,-0.2 -3,-0.2 0.588 75.0 141.0 80.2 10.0 -10.5 -25.3 39.2 73 75 A L < + 0 0 2 -5,-2.3 -1,-0.2 -6,-0.1 2,-0.2 -0.780 32.0 100.8 -88.0 123.5 -11.8 -23.2 36.3 74 76 A G > + 0 0 15 -2,-0.6 3,-2.3 1,-0.2 28,-0.3 -0.721 60.2 11.4-167.3-147.8 -13.8 -20.3 37.6 75 77 A K T 3 S+ 0 0 77 1,-0.3 -1,-0.2 -2,-0.2 -73,-0.1 -0.235 122.3 23.6 -61.9 135.6 -13.9 -16.6 38.4 76 78 A G T 3 S+ 0 0 25 24,-0.4 -1,-0.3 1,-0.4 2,-0.2 0.170 103.9 107.8 92.2 -15.8 -11.0 -14.7 37.0 77 79 A D < - 0 0 25 -3,-2.3 25,-2.3 23,-0.3 -1,-0.4 -0.591 53.2-154.0 -95.0 157.4 -10.4 -17.4 34.3 78 80 A T E -i 102 0B 5 45,-0.3 47,-1.6 23,-0.2 48,-1.0 -0.821 3.4-158.4-124.7 165.9 -11.1 -17.2 30.6 79 81 A A E -ij 103 126B 0 23,-2.0 25,-2.6 -2,-0.3 2,-0.5 -0.985 11.6-143.5-142.1 148.3 -11.9 -19.7 27.8 80 82 A L E -ij 104 127B 0 46,-2.7 48,-2.6 -2,-0.3 2,-0.4 -0.983 22.1-173.4-111.5 127.1 -11.7 -19.8 24.0 81 83 A V E +ij 105 128B 0 23,-2.7 25,-2.8 -2,-0.5 2,-0.4 -0.972 12.5 175.3-122.0 130.5 -14.5 -21.7 22.3 82 84 A Q + 0 0 2 46,-2.8 48,-0.1 -2,-0.4 25,-0.1 -0.836 21.7 147.9-136.0 100.7 -14.7 -22.5 18.5 83 85 A L - 0 0 3 23,-0.5 25,-0.3 -2,-0.4 153,-0.1 -0.933 40.1-120.0-131.3 151.9 -17.7 -24.6 17.6 84 86 A P - 0 0 28 0, 0.0 2,-2.5 0, 0.0 5,-0.2 -0.092 58.5 -62.3 -79.9-171.9 -19.9 -24.8 14.5 85 87 A N S S+ 0 0 18 176,-0.3 2,-0.3 148,-0.1 147,-0.1 -0.369 91.9 122.6 -74.6 69.4 -23.7 -24.2 14.3 86 88 A V S >> S- 0 0 33 -2,-2.5 3,-1.9 173,-0.1 4,-0.6 -0.853 77.9-104.2-128.7 161.1 -24.7 -27.0 16.7 87 89 A A H >> S+ 0 0 0 -2,-0.3 4,-1.8 1,-0.3 3,-0.9 0.810 113.9 70.7 -52.1 -33.1 -26.7 -27.3 20.0 88 90 A E H 3> S+ 0 0 8 1,-0.3 4,-2.5 2,-0.2 -1,-0.3 0.734 85.7 66.7 -58.9 -28.9 -23.3 -27.8 21.8 89 91 A F H <> S+ 0 0 1 -3,-1.9 4,-2.5 -5,-0.2 -1,-0.3 0.945 107.8 38.0 -55.6 -46.9 -22.5 -24.1 21.2 90 92 A Y H S+ 0 0 0 -4,-2.5 5,-2.3 2,-0.2 4,-1.1 0.881 112.2 51.4 -71.4 -39.3 -19.3 -21.0 31.0 97 99 A L H <5S+ 0 0 4 -4,-2.1 3,-0.3 -5,-0.2 87,-0.3 0.893 112.3 48.3 -58.1 -43.6 -21.8 -18.3 32.1 98 100 A K H <5S+ 0 0 18 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.906 112.8 47.9 -61.3 -41.9 -22.9 -20.6 35.0 99 101 A A H <5S- 0 0 1 -4,-2.1 83,-0.4 -5,-0.1 -1,-0.2 0.594 111.1-118.6 -78.7 -14.7 -19.3 -21.3 36.0 100 102 A G T <5 + 0 0 2 -4,-1.1 2,-0.5 -3,-0.3 -24,-0.4 0.734 64.8 144.1 80.2 23.4 -18.2 -17.7 35.9 101 103 A V < - 0 0 2 -5,-2.3 2,-0.6 -6,-0.2 -1,-0.3 -0.864 51.3-129.2 -97.2 126.8 -15.6 -18.3 33.2 102 104 A V E -i 78 0B 3 -25,-2.3 -23,-2.0 -2,-0.5 2,-0.4 -0.642 31.6-156.5 -80.7 118.1 -15.3 -15.4 30.7 103 105 A V E -ik 79 191B 0 87,-0.9 89,-2.6 -2,-0.6 2,-0.6 -0.773 20.7-160.6-107.2 137.0 -15.6 -16.8 27.2 104 106 A L E -ik 80 192B 0 -25,-2.6 -23,-2.7 -2,-0.4 2,-0.8 -0.978 16.5-154.4-104.0 118.7 -14.4 -15.6 23.8 105 107 A N E -i 81 0B 9 87,-0.8 2,-0.2 -2,-0.6 -23,-0.2 -0.862 10.4-156.3 -91.5 110.8 -16.4 -17.4 21.1 106 108 A A - 0 0 0 -25,-2.8 -23,-0.5 -2,-0.8 2,-0.2 -0.572 25.9-103.8 -78.2 151.5 -14.3 -17.5 17.9 107 109 A L > - 0 0 39 -2,-0.2 3,-1.7 1,-0.1 -1,-0.1 -0.498 24.4-124.1 -66.5 143.9 -16.1 -17.9 14.6 108 110 A Y T 3 S+ 0 0 72 -25,-0.3 -1,-0.1 1,-0.3 -26,-0.0 0.783 113.2 61.6 -60.4 -25.6 -15.8 -21.4 13.2 109 111 A S T 3 S+ 0 0 88 2,-0.0 -1,-0.3 0, 0.0 2,-0.1 0.549 81.1 107.4 -76.9 -10.7 -14.3 -19.6 10.1 110 112 A H < - 0 0 15 -3,-1.7 2,-0.2 1,-0.1 -4,-0.0 -0.415 55.6-158.3 -70.3 148.3 -11.4 -18.2 12.1 111 113 A R > - 0 0 137 -2,-0.1 4,-2.4 23,-0.1 3,-0.3 -0.450 37.3 -67.5-118.3-170.5 -8.0 -19.9 11.5 112 114 A Q H > S+ 0 0 54 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.844 125.3 53.4 -49.0 -45.7 -4.6 -20.3 13.2 113 115 A Y H > S+ 0 0 62 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.929 112.7 40.5 -61.3 -51.0 -3.7 -16.7 13.0 114 116 A E H > S+ 0 0 31 -3,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.923 114.9 52.0 -63.4 -47.0 -6.8 -15.3 14.7 115 117 A L H X S+ 0 0 1 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.898 109.1 50.9 -58.4 -42.4 -7.0 -18.0 17.4 116 118 A N H X S+ 0 0 59 -4,-2.5 4,-2.4 -5,-0.3 -1,-0.2 0.930 111.0 48.1 -58.9 -47.5 -3.3 -17.4 18.3 117 119 A A H X S+ 0 0 16 -4,-2.0 4,-1.5 2,-0.2 -2,-0.2 0.902 112.2 49.8 -59.5 -43.6 -4.0 -13.7 18.7 118 120 A F H X S+ 0 0 0 -4,-2.7 4,-1.9 2,-0.2 5,-0.3 0.933 111.2 48.5 -60.0 -48.6 -7.1 -14.4 20.8 119 121 A I H X S+ 0 0 2 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.894 109.0 53.7 -59.9 -41.8 -5.1 -16.8 23.0 120 122 A K H < S+ 0 0 125 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.838 112.2 45.1 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