==== 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 OXIDOREDUCTASE 04-AUG-10 3O9Z . COMPND 2 MOLECULE: LIPOPOLYSACCARIDE BIOSYNTHESIS PROTEIN WBPB; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR H.M.HOLDEN,J.B.THODEN . 1239 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 48925.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 917 74.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 140 11.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 138 11.1 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 . 12 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 . 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 . 66 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 180 14.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 343 27.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 28 2.3 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 11 1 0 0 0 4 10 6 1 3 6 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 8 8 4 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 PARALLEL BRIDGES PER LADDER . 2 2 0 4 0 0 8 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 . 0 0 0 0 2 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 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 0 179 0, 0.0 25,-0.2 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 107.5 12.3 25.6 47.9 2 2 A T - 0 0 37 22,-0.3 25,-2.4 23,-0.1 2,-0.6 -0.496 360.0-134.1 -68.6 139.5 15.1 25.6 45.3 3 3 A R E -a 27 0A 70 23,-0.2 70,-2.0 -2,-0.2 69,-2.0 -0.832 28.1-175.4-103.2 125.6 18.2 27.3 46.9 4 4 A F E -ab 28 73A 1 23,-2.9 25,-3.3 -2,-0.6 26,-0.8 -0.817 21.0-165.1-116.3 146.7 19.9 29.9 44.7 5 5 A A E -ab 30 74A 0 68,-2.2 70,-3.0 -2,-0.3 2,-0.4 -0.927 22.3-150.7-117.0 155.7 23.0 32.0 44.9 6 6 A L E -ab 31 75A 0 24,-1.9 26,-2.2 -2,-0.3 2,-0.4 -0.986 8.2-157.9-129.7 132.9 23.2 34.9 42.4 7 7 A T E S+ab 32 76A 1 68,-2.6 70,-1.9 -2,-0.4 26,-0.2 -0.848 78.2 32.1-107.4 140.9 26.2 36.6 40.8 8 8 A G > + 0 0 7 24,-2.3 3,-2.1 -2,-0.4 6,-0.4 0.755 66.2 160.0 93.4 26.5 25.9 40.2 39.4 9 9 A L T 3 + 0 0 10 23,-0.9 24,-0.1 -3,-0.3 9,-0.1 0.724 68.5 54.0 -56.7 -29.7 23.3 41.4 41.9 10 10 A A T 3 S+ 0 0 12 25,-0.2 -1,-0.3 22,-0.1 23,-0.1 0.493 92.3 103.4 -81.9 -3.3 24.0 45.2 41.4 11 11 A G S < S- 0 0 21 -3,-2.1 3,-0.1 66,-0.1 337,-0.1 -0.112 84.3-101.8 -87.8 174.3 23.5 45.0 37.6 12 12 A Y S S+ 0 0 112 1,-0.2 4,-0.2 2,-0.1 -1,-0.1 0.890 118.0 38.9 -54.5 -46.7 20.9 46.0 35.2 13 13 A I S >> S+ 0 0 34 64,-0.2 3,-1.8 1,-0.2 4,-1.0 0.712 91.5 90.8 -86.5 -16.9 19.4 42.6 34.6 14 14 A A H >> S+ 0 0 1 -6,-0.4 4,-2.2 1,-0.3 3,-0.7 0.819 77.7 60.8 -48.0 -40.7 19.7 41.3 38.2 15 15 A P H 3> S+ 0 0 45 0, 0.0 4,-2.3 0, 0.0 -1,-0.3 0.811 99.9 56.8 -64.0 -25.7 16.2 42.5 39.3 16 16 A R H <> S+ 0 0 45 -3,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.861 108.1 47.8 -69.6 -31.7 14.6 40.2 36.7 17 17 A H H S+ 0 0 0 -4,-2.6 5,-2.8 2,-0.2 -1,-0.2 0.930 114.7 47.1 -58.7 -45.8 13.6 33.4 41.9 22 22 A K H ><5S+ 0 0 91 -4,-2.2 3,-2.5 -5,-0.2 -2,-0.2 0.978 111.9 48.9 -51.1 -61.7 10.7 34.8 43.9 23 23 A E H 3<5S+ 0 0 110 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.737 110.4 50.5 -64.7 -23.4 8.0 33.8 41.4 24 24 A V T 3<5S- 0 0 39 -4,-2.1 -1,-0.3 -5,-0.2 -22,-0.3 0.380 117.6-110.7 -91.8 6.0 9.3 30.2 41.2 25 25 A G T < 5S+ 0 0 40 -3,-2.5 -3,-0.2 1,-0.2 -23,-0.1 0.744 70.2 141.1 74.7 27.3 9.3 29.8 45.1 26 26 A G < - 0 0 5 -5,-2.8 2,-0.4 -6,-0.2 -23,-0.2 -0.388 46.4-128.1 -89.5 173.1 13.1 29.7 45.4 27 27 A V E -a 3 0A 39 -25,-2.4 -23,-2.9 -2,-0.1 2,-0.8 -0.993 8.9-136.0-124.5 137.7 15.2 31.4 48.1 28 28 A L E +a 4 0A 4 -2,-0.4 -23,-0.2 1,-0.2 19,-0.1 -0.782 26.9 175.8 -85.4 110.8 18.2 33.6 47.4 29 29 A V E - 0 0 17 -25,-3.3 20,-2.5 -2,-0.8 2,-0.3 0.848 61.2 -11.1 -83.9 -39.4 20.7 32.3 49.9 30 30 A A E -ac 5 49A 0 -26,-0.8 -24,-1.9 18,-0.3 2,-0.3 -0.987 58.0-154.6-161.7 149.6 23.7 34.5 49.0 31 31 A S E -ac 6 50A 0 18,-1.7 20,-2.0 -2,-0.3 2,-0.4 -0.953 4.5-151.6-131.5 161.1 24.9 36.9 46.3 32 32 A L E +ac 7 51A 3 -26,-2.2 -24,-2.3 -2,-0.3 -23,-0.9 -0.998 28.1 142.1-129.8 130.3 28.2 38.1 44.9 33 33 A D - 0 0 21 18,-2.3 20,-0.1 -2,-0.4 5,-0.1 -0.820 42.2-143.9-162.1 129.6 29.0 41.5 43.3 34 34 A P S S+ 0 0 99 0, 0.0 2,-0.3 0, 0.0 18,-0.1 0.747 91.9 72.5 -62.3 -22.6 32.2 43.5 43.6 35 35 A A S S- 0 0 30 1,-0.1 -25,-0.2 -3,-0.1 -24,-0.1 -0.707 71.0-156.7 -92.7 145.9 29.9 46.5 43.5 36 36 A T + 0 0 28 -2,-0.3 2,-2.3 1,-0.1 3,-0.2 0.324 59.2 112.7-110.7 12.6 27.8 47.2 46.5 37 37 A N + 0 0 40 1,-0.2 3,-0.1 2,-0.1 -1,-0.1 -0.450 44.5 115.2 -77.4 63.1 25.0 49.3 44.9 38 38 A V > + 0 0 4 -2,-2.3 3,-2.9 1,-0.1 4,-0.3 0.169 17.9 128.7-123.1 13.4 22.6 46.5 45.6 39 39 A G G > + 0 0 11 1,-0.3 3,-1.3 -3,-0.2 4,-0.3 0.723 62.3 75.6 -53.7 -21.3 20.1 47.9 48.0 40 40 A L G > S+ 0 0 73 1,-0.2 3,-1.6 2,-0.2 -1,-0.3 0.779 78.2 77.4 -54.6 -26.9 17.2 46.8 45.9 41 41 A V G X> S+ 0 0 7 -3,-2.9 4,-3.0 1,-0.3 3,-1.9 0.810 80.4 66.1 -63.3 -28.3 17.8 43.3 47.2 42 42 A D G <4 S+ 0 0 34 -3,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.781 92.2 61.7 -66.6 -22.0 16.1 44.0 50.5 43 43 A S G <4 S+ 0 0 85 -3,-1.6 -1,-0.3 -4,-0.3 -2,-0.2 0.595 120.3 24.9 -77.7 -7.5 12.8 44.4 48.8 44 44 A F T <4 S+ 0 0 50 -3,-1.9 -2,-0.2 -4,-0.3 -3,-0.1 0.728 140.0 9.3-115.1 -54.3 13.0 40.8 47.6 45 45 A F >< + 0 0 21 -4,-3.0 3,-1.6 1,-0.1 -2,-0.2 -0.646 61.0 175.7-137.5 77.1 15.3 38.7 49.9 46 46 A P T 3 S+ 0 0 37 0, 0.0 427,-0.2 0, 0.0 -4,-0.1 0.562 79.3 50.3 -70.0 -2.9 16.1 40.8 53.0 47 47 A E T 3 S+ 0 0 151 -19,-0.1 -5,-0.1 425,-0.1 -2,-0.0 0.407 78.5 124.7-111.4 1.5 18.0 37.9 54.7 48 48 A A < - 0 0 11 -3,-1.6 425,-0.7 -7,-0.1 -18,-0.3 -0.302 62.5-119.2 -63.9 141.4 20.4 36.9 51.9 49 49 A E E -c 30 0A 56 -20,-2.5 -18,-1.7 424,-0.1 2,-0.4 -0.415 29.8-152.4 -70.9 159.6 24.1 36.9 52.6 50 50 A F E -c 31 0A 5 -20,-0.2 2,-0.4 423,-0.1 -18,-0.2 -0.997 13.7-176.7-144.2 136.3 26.2 39.2 50.4 51 51 A F E -c 32 0A 19 -20,-2.0 -18,-2.3 -2,-0.4 423,-0.1 -0.991 21.4-173.0-131.7 142.6 29.8 39.1 49.3 52 52 A T S S+ 0 0 22 -2,-0.4 -1,-0.1 -20,-0.2 -20,-0.1 0.561 78.0 69.8 -98.3 -18.6 32.1 41.4 47.3 53 53 A E > - 0 0 43 1,-0.1 4,-2.4 -20,-0.1 3,-0.3 -0.878 69.3-151.9-107.2 116.7 35.0 39.0 47.1 54 54 A P H > S+ 0 0 11 0, 0.0 4,-2.6 0, 0.0 -1,-0.1 0.855 96.7 56.9 -52.7 -37.1 34.5 35.9 44.8 55 55 A E H > S+ 0 0 6 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.880 109.5 45.2 -65.0 -38.9 37.0 33.8 46.9 56 56 A A H > S+ 0 0 27 -3,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.899 111.3 51.1 -72.5 -38.5 34.9 34.5 50.1 57 57 A F H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.950 112.4 48.7 -62.3 -41.5 31.6 33.8 48.4 58 58 A E H X S+ 0 0 2 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.901 110.3 49.5 -63.2 -48.7 33.1 30.5 47.1 59 59 A A H X S+ 0 0 5 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.846 112.2 50.1 -59.5 -38.2 34.4 29.5 50.6 60 60 A Y H X S+ 0 0 45 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.942 111.8 45.3 -64.0 -46.9 31.0 30.3 52.0 61 61 A L H X S+ 0 0 4 -4,-2.5 4,-2.2 2,-0.2 10,-0.2 0.843 112.6 52.8 -67.1 -31.9 29.1 28.2 49.5 62 62 A E H X S+ 0 0 16 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.899 108.6 50.5 -69.8 -43.0 31.7 25.4 50.0 63 63 A D H X S+ 0 0 37 -4,-2.5 4,-1.0 2,-0.2 -2,-0.2 0.913 109.8 50.2 -56.3 -45.9 31.1 25.6 53.8 64 64 A L H ><>S+ 0 0 2 -4,-2.4 5,-2.9 1,-0.2 3,-0.7 0.932 111.6 48.8 -57.8 -44.4 27.3 25.3 53.1 65 65 A R H ><5S+ 0 0 86 -4,-2.2 3,-1.8 4,-0.3 5,-0.3 0.910 107.9 53.8 -58.9 -47.8 27.9 22.3 50.9 66 66 A D H 3<5S+ 0 0 54 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.692 111.0 47.2 -69.6 -16.7 30.1 20.6 53.5 67 67 A R T <<5S- 0 0 146 -4,-1.0 -1,-0.3 -3,-0.7 -2,-0.2 0.196 120.6-103.6-110.7 20.1 27.3 21.0 56.1 68 68 A G T < 5S+ 0 0 70 -3,-1.8 -3,-0.2 -5,-0.1 -2,-0.1 0.736 99.5 97.9 73.1 24.3 24.5 19.7 53.9 69 69 A E < + 0 0 90 -5,-2.9 -4,-0.3 -6,-0.2 -5,-0.1 -0.081 50.7 153.3-129.7 28.8 22.9 23.1 53.1 70 70 A G - 0 0 22 -6,-0.5 2,-0.2 -5,-0.3 -67,-0.1 -0.102 49.3-102.1 -57.8 155.5 24.5 23.7 49.7 71 71 A V - 0 0 11 -10,-0.2 -67,-0.2 1,-0.1 -1,-0.1 -0.589 18.3-147.7 -70.2 150.8 22.8 25.8 47.1 72 72 A D S S+ 0 0 76 -69,-2.0 24,-2.6 1,-0.2 2,-0.4 0.818 78.5 21.1 -83.0 -34.3 21.1 24.0 44.2 73 73 A Y E -bd 4 96A 21 -70,-2.0 -68,-2.2 22,-0.2 2,-0.6 -0.990 56.4-150.1-143.6 136.7 21.8 26.6 41.6 74 74 A L E -bd 5 97A 2 22,-2.3 24,-2.6 -2,-0.4 2,-0.4 -0.968 21.4-155.9 -99.4 114.6 24.2 29.4 40.9 75 75 A S E -bd 6 98A 0 -70,-3.0 -68,-2.6 -2,-0.6 2,-0.6 -0.758 11.2-152.5 -85.5 138.1 22.4 32.1 38.8 76 76 A I E +bd 7 99A 0 22,-2.4 24,-2.7 -2,-0.4 -68,-0.1 -0.917 35.3 153.8-127.4 110.6 24.9 34.1 36.8 77 77 A A + 0 0 15 -70,-1.9 -64,-0.2 -2,-0.6 -63,-0.2 -0.078 41.7 120.0-123.2 29.2 24.3 37.7 35.8 78 78 A S S S- 0 0 11 1,-0.2 22,-0.1 2,-0.1 5,-0.1 -0.319 78.1 -63.2 -81.5 171.3 28.0 38.8 35.6 79 79 A P > - 0 0 35 0, 0.0 3,-1.9 0, 0.0 4,-0.4 -0.190 59.7-104.0 -57.1 150.5 29.8 40.2 32.5 80 80 A N G >> S+ 0 0 5 1,-0.3 3,-1.5 2,-0.2 4,-0.5 0.785 116.2 58.0 -56.8 -39.8 30.1 37.6 29.7 81 81 A H G 34 S+ 0 0 40 93,-1.6 -1,-0.3 1,-0.3 3,-0.1 0.693 103.5 56.1 -67.2 -18.5 33.7 36.5 30.2 82 82 A L G <> S+ 0 0 12 -3,-1.9 4,-2.0 92,-0.2 -1,-0.3 0.527 85.4 82.7 -88.1 -6.4 33.0 35.6 33.8 83 83 A H H <> S+ 0 0 1 -3,-1.5 4,-2.6 -4,-0.4 5,-0.2 0.968 90.5 48.6 -61.6 -50.0 30.2 33.2 32.8 84 84 A Y H X S+ 0 0 20 -4,-0.5 4,-2.6 1,-0.2 -1,-0.2 0.932 115.8 41.1 -55.6 -56.9 32.6 30.3 32.0 85 85 A P H > S+ 0 0 5 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.763 115.7 51.6 -68.4 -25.9 34.7 30.5 35.3 86 86 A Q H X S+ 0 0 5 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.805 109.1 49.5 -73.8 -33.5 31.6 31.2 37.4 87 87 A I H X S+ 0 0 0 -4,-2.6 4,-2.6 -5,-0.3 5,-0.2 0.932 109.0 53.2 -67.5 -37.0 29.9 28.1 35.9 88 88 A R H X S+ 0 0 1 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.889 110.1 49.4 -63.3 -37.2 33.2 26.2 36.7 89 89 A M H X S+ 0 0 0 -4,-1.5 4,-1.8 2,-0.2 -1,-0.2 0.942 109.2 50.5 -65.6 -48.6 32.7 27.5 40.3 90 90 A A H <>S+ 0 0 0 -4,-2.3 5,-2.6 1,-0.2 3,-0.5 0.956 113.1 46.7 -50.9 -52.1 29.1 26.4 40.5 91 91 A L H ><5S+ 0 0 4 -4,-2.6 3,-1.2 1,-0.3 -1,-0.2 0.866 110.8 49.7 -64.4 -46.4 30.1 22.9 39.3 92 92 A R H 3<5S+ 0 0 35 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.801 109.3 54.2 -62.2 -24.8 33.0 22.5 41.7 93 93 A L T 3<5S- 0 0 10 -4,-1.8 -1,-0.2 -3,-0.5 -2,-0.2 0.396 121.9-107.9 -84.9 0.5 30.7 23.6 44.6 94 94 A G T < 5S+ 0 0 16 -3,-1.2 2,-0.3 -4,-0.3 -3,-0.2 0.772 79.9 119.2 74.0 33.8 28.2 20.9 43.6 95 95 A A < - 0 0 2 -5,-2.6 -1,-0.3 -6,-0.2 -22,-0.2 -0.837 62.2-118.6-126.7 157.5 25.6 23.2 42.2 96 96 A N E -d 73 0A 32 -24,-2.6 -22,-2.3 -2,-0.3 2,-0.4 -0.392 32.4-129.2 -81.7 169.2 24.0 23.5 38.7 97 97 A A E -de 74 124A 0 26,-2.1 28,-2.9 -24,-0.2 2,-0.5 -0.972 19.6-170.8-125.1 142.7 24.3 26.8 36.9 98 98 A L E -de 75 125A 2 -24,-2.6 -22,-2.4 -2,-0.4 2,-0.3 -0.891 24.5-174.2-130.2 103.3 21.9 29.0 35.2 99 99 A S E -de 76 126A 0 26,-2.9 28,-2.4 -2,-0.5 -22,-0.2 -0.722 24.6-116.9-104.9 141.1 23.8 31.6 33.3 100 100 A E - 0 0 15 -24,-2.7 28,-0.1 -2,-0.3 -1,-0.1 -0.281 61.6 -49.3 -52.6 160.8 22.7 34.7 31.4 101 101 A K S S+ 0 0 26 26,-0.5 -1,-0.1 25,-0.1 2,-0.1 -0.344 119.8 47.5 -71.5 155.4 23.3 34.7 27.6 102 102 A P S S- 0 0 1 0, 0.0 -19,-0.1 0, 0.0 -2,-0.1 0.757 78.7-150.3 -65.4 144.5 25.7 34.2 26.0 103 103 A L S S- 0 0 3 1,-0.1 2,-0.3 -2,-0.1 -3,-0.1 0.918 76.3 -18.4 -51.0 -50.3 26.2 31.0 28.1 104 104 A V - 0 0 1 178,-0.1 -1,-0.1 -21,-0.1 -23,-0.1 -0.887 64.6-118.4-143.1 176.3 30.0 31.2 27.5 105 105 A L S S+ 0 0 7 -2,-0.3 -24,-0.1 -25,-0.2 -2,-0.1 0.744 86.7 40.6 -87.8 -30.9 32.2 33.1 25.0 106 106 A W >> - 0 0 115 1,-0.1 4,-1.7 183,-0.0 3,-0.7 -0.940 67.1-130.3-130.0 145.8 33.9 30.2 23.2 107 107 A P H 3> S+ 0 0 58 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.851 111.2 60.9 -55.2 -34.1 33.3 26.7 21.8 108 108 A E H 3> S+ 0 0 134 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.868 104.0 50.7 -63.2 -32.9 36.4 25.5 23.7 109 109 A E H <> S+ 0 0 35 -3,-0.7 4,-2.7 2,-0.2 -1,-0.2 0.915 107.9 51.0 -71.0 -41.3 34.6 26.6 26.9 110 110 A I H X S+ 0 0 16 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.938 111.8 49.3 -56.5 -45.5 31.4 24.6 25.9 111 111 A A H X S+ 0 0 51 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.879 112.0 46.4 -64.7 -41.4 33.7 21.5 25.3 112 112 A R H X S+ 0 0 103 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.901 109.9 55.1 -70.7 -39.1 35.4 21.9 28.7 113 113 A L H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.890 103.1 55.5 -58.8 -34.4 32.0 22.4 30.4 114 114 A K H X S+ 0 0 83 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.940 108.7 48.2 -62.5 -43.0 30.8 19.1 28.9 115 115 A E H X S+ 0 0 116 -4,-1.7 4,-1.9 1,-0.2 -1,-0.2 0.879 112.6 48.0 -61.5 -40.4 33.8 17.4 30.5 116 116 A L H X S+ 0 0 16 -4,-1.9 4,-2.3 2,-0.2 6,-0.4 0.827 105.4 56.9 -80.2 -25.9 33.1 19.0 33.9 117 117 A E H X S+ 0 0 20 -4,-2.3 4,-1.8 -5,-0.2 5,-0.4 0.918 110.1 48.0 -64.1 -41.9 29.4 18.2 33.8 118 118 A A H < S+ 0 0 88 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.858 113.4 46.3 -64.9 -37.8 30.6 14.5 33.4 119 119 A R H < S+ 0 0 144 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.884 124.2 31.5 -70.6 -39.3 33.1 14.8 36.3 120 120 A T H < S- 0 0 41 -4,-2.3 -2,-0.2 2,-0.2 -3,-0.2 0.584 93.5-130.0 -99.2 -10.4 30.6 16.5 38.7 121 121 A G < + 0 0 65 -4,-1.8 2,-0.2 1,-0.3 -3,-0.1 0.619 69.3 119.8 62.8 15.3 27.3 15.1 37.8 122 122 A R - 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