==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 23-APR-08 2JJX . COMPND 2 MOLECULE: URIDYLATE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS ANTHRACIS; . AUTHOR C.MEIER,L.G.CARTER,E.J.MANCINI,R.J.OWENS,D.I.STUART, . 732 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35136.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 534 73.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 105 14.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 20 2.7 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 . 3 0.4 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 . 6 0.8 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 . 59 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 76 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 223 30.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 21 2.9 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 0 0 9 0 0 3 5 1 0 0 0 3 0 0 0 0 0 0 0 0 0 0 3 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 3 6 3 6 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 PARALLEL BRIDGES PER LADDER . 4 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 3 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 2 A R 0 0 202 0, 0.0 2,-0.5 0, 0.0 227,-0.5 0.000 360.0 360.0 360.0 172.1 69.5 -42.3 122.5 2 3 A P B -A 227 0A 92 0, 0.0 2,-0.4 0, 0.0 225,-0.1 -0.762 360.0-159.2 -88.4 125.9 66.2 -40.9 123.8 3 4 A Y - 0 0 27 223,-0.6 3,-0.1 -2,-0.5 150,-0.0 -0.856 20.4-165.6-105.2 145.3 64.5 -38.6 121.3 4 5 A K S S+ 0 0 162 -2,-0.4 40,-3.3 1,-0.2 2,-0.4 0.811 81.6 34.1 -91.0 -36.5 61.9 -36.0 122.0 5 6 A R E S+b 44 0B 20 38,-0.2 149,-3.0 147,-0.1 150,-0.7 -0.985 71.0 175.0-126.0 138.4 60.7 -35.5 118.4 6 7 A V E -bc 45 155B 0 38,-2.9 40,-1.9 -2,-0.4 2,-0.5 -0.984 24.4-146.4-148.0 145.1 60.6 -38.1 115.7 7 8 A L E -bc 46 156B 0 148,-1.9 150,-2.6 -2,-0.3 2,-0.6 -0.950 18.0-154.3-113.0 124.4 59.5 -38.7 112.0 8 9 A I E -bc 47 157B 0 38,-2.9 40,-2.8 -2,-0.5 2,-0.6 -0.858 2.1-158.4-101.1 122.2 58.2 -42.1 111.1 9 10 A K E +bc 48 158B 8 148,-3.0 150,-2.1 -2,-0.6 2,-0.4 -0.891 15.8 178.6-103.4 119.7 58.5 -43.1 107.5 10 11 A L E -b 49 0B 3 38,-2.8 40,-1.5 -2,-0.6 2,-0.2 -0.981 23.0-132.6-120.0 132.9 56.0 -45.8 106.6 11 12 A S > - 0 0 47 148,-0.5 3,-1.4 -2,-0.4 4,-0.2 -0.522 21.2-122.2 -82.5 151.0 55.7 -47.4 103.1 12 13 A G G >> S+ 0 0 0 1,-0.3 3,-1.9 -2,-0.2 4,-0.5 0.825 108.2 69.9 -59.6 -31.6 52.2 -47.8 101.7 13 14 A G G 34 S+ 0 0 13 1,-0.3 3,-0.4 2,-0.2 -1,-0.3 0.693 86.9 65.2 -60.8 -22.5 52.8 -51.5 101.3 14 15 A A G <4 S+ 0 0 6 -3,-1.4 -1,-0.3 1,-0.2 17,-0.2 0.593 93.7 60.1 -75.2 -16.4 52.7 -51.9 105.1 15 16 A L T <4 S+ 0 0 3 -3,-1.9 9,-2.3 -4,-0.2 13,-0.3 0.671 107.5 50.3 -87.4 -15.3 49.0 -50.9 105.2 16 17 A A S < S- 0 0 1 -4,-0.5 7,-0.1 -3,-0.4 2,-0.1 -0.818 81.3-124.2-116.5 159.9 48.0 -53.7 103.0 17 18 A D - 0 0 46 -2,-0.3 5,-0.2 1,-0.1 -1,-0.1 -0.098 38.8-114.3 -74.5-165.2 48.7 -57.4 103.1 18 19 A Q S S+ 0 0 133 3,-0.1 -1,-0.1 -2,-0.1 4,-0.0 0.810 92.2 86.0-104.0 -35.2 50.3 -58.4 99.7 19 20 A T S S- 0 0 107 2,-0.1 -3,-0.0 -3,-0.0 0, 0.0 0.808 111.4 -17.1 -28.6-101.8 47.5 -60.6 98.4 20 21 A G S S- 0 0 60 1,-0.1 2,-0.2 0, 0.0 -4,-0.0 0.908 100.0-123.0 -76.4 -85.0 44.8 -58.5 96.6 21 22 A N + 0 0 84 2,-0.1 2,-0.6 0, 0.0 -1,-0.1 -0.873 63.0 73.9 157.4 174.9 45.5 -55.0 97.8 22 23 A S S S- 0 0 57 31,-0.7 2,-0.3 -2,-0.2 -7,-0.1 -0.909 90.7 -7.8 104.9-115.1 44.4 -51.8 99.6 23 24 A F - 0 0 59 -2,-0.6 2,-0.4 -7,-0.1 -7,-0.3 -0.885 46.4-161.6-121.1 152.3 44.1 -51.8 103.3 24 25 A N > - 0 0 43 -9,-2.3 4,-3.0 -2,-0.3 5,-0.2 -0.992 12.1-152.2-131.5 113.7 44.2 -54.6 105.9 25 26 A S H > S+ 0 0 89 -2,-0.4 4,-1.3 2,-0.2 5,-0.1 0.706 98.2 57.1 -64.2 -16.6 42.6 -53.7 109.2 26 27 A K H > S+ 0 0 129 2,-0.2 4,-1.9 3,-0.1 -1,-0.2 0.945 112.1 41.6 -75.5 -45.2 44.9 -56.2 111.0 27 28 A R H > S+ 0 0 61 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.893 112.6 53.5 -63.9 -45.2 47.9 -54.3 109.5 28 29 A L H X S+ 0 0 10 -4,-3.0 4,-2.0 -13,-0.3 -1,-0.2 0.849 109.2 50.6 -59.1 -34.1 46.3 -50.9 110.2 29 30 A E H X S+ 0 0 74 -4,-1.3 4,-2.3 -5,-0.2 -2,-0.2 0.896 108.8 50.4 -72.0 -41.0 45.8 -52.0 113.8 30 31 A H H X S+ 0 0 45 -4,-1.9 4,-2.5 1,-0.2 5,-0.3 0.971 111.9 48.4 -58.6 -53.2 49.5 -53.0 114.1 31 32 A I H X S+ 0 0 4 -4,-2.7 4,-1.6 1,-0.2 -2,-0.2 0.867 111.1 50.0 -54.7 -44.3 50.6 -49.6 112.7 32 33 A A H X S+ 0 0 0 -4,-2.0 4,-2.3 -5,-0.2 -1,-0.2 0.930 112.0 47.9 -62.3 -45.0 48.3 -47.7 115.1 33 34 A N H X S+ 0 0 69 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.901 110.7 49.3 -65.7 -44.9 49.6 -49.6 118.1 34 35 A E H X S+ 0 0 16 -4,-2.5 4,-1.0 1,-0.2 -1,-0.2 0.829 113.6 48.5 -61.2 -35.9 53.3 -49.2 117.2 35 36 A I H X S+ 0 0 0 -4,-1.6 4,-1.6 -5,-0.3 -2,-0.2 0.881 111.9 47.6 -73.1 -38.2 52.7 -45.5 116.7 36 37 A L H X S+ 0 0 14 -4,-2.3 4,-3.3 2,-0.2 5,-0.2 0.924 101.3 64.4 -72.3 -38.5 50.8 -45.1 120.0 37 38 A S H < S+ 0 0 14 -4,-2.7 4,-0.5 1,-0.2 -1,-0.2 0.897 108.0 43.5 -47.9 -42.7 53.5 -47.0 121.9 38 39 A I H ><>S+ 0 0 0 -4,-1.0 5,-1.2 1,-0.2 3,-0.9 0.883 114.4 46.4 -72.1 -46.1 55.9 -44.1 121.0 39 40 A V H ><5S+ 0 0 7 -4,-1.6 3,-3.3 1,-0.2 -1,-0.2 0.824 99.3 70.2 -67.8 -30.7 53.6 -41.2 121.7 40 41 A D T 3<5S+ 0 0 107 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.786 94.0 57.1 -58.3 -21.2 52.5 -42.8 124.9 41 42 A L T < 5S- 0 0 71 -3,-0.9 -1,-0.3 -4,-0.5 -2,-0.2 0.290 124.1-111.5 -90.1 9.9 56.1 -41.9 126.1 42 43 A G T < 5 + 0 0 60 -3,-3.3 2,-0.3 1,-0.3 -3,-0.2 0.783 68.6 149.4 66.7 24.3 55.2 -38.3 125.1 43 44 A I < - 0 0 17 -5,-1.2 2,-0.4 -38,-0.0 -1,-0.3 -0.717 52.0-115.7 -82.5 138.3 57.6 -38.4 122.2 44 45 A E E -b 5 0B 45 -40,-3.3 -38,-2.9 -2,-0.3 2,-0.4 -0.701 34.3-157.0 -85.5 126.3 56.3 -36.1 119.5 45 46 A V E +b 6 0B 2 -2,-0.4 82,-1.9 80,-0.4 2,-0.3 -0.910 21.0 177.1-111.3 137.0 55.4 -37.9 116.2 46 47 A S E -bd 7 127B 0 -40,-1.9 -38,-2.9 -2,-0.4 2,-0.4 -0.922 20.0-153.9-122.4 149.4 55.1 -36.9 112.6 47 48 A I E -bd 8 128B 0 80,-2.1 82,-3.1 -2,-0.3 2,-0.5 -0.990 13.3-169.7-132.7 137.3 54.3 -39.6 110.0 48 49 A V E -bd 9 129B 3 -40,-2.8 -38,-2.8 -2,-0.4 2,-0.4 -0.992 14.6-169.2-123.5 117.3 55.0 -39.9 106.2 49 50 A I E -b 10 0B 3 80,-0.9 83,-0.3 -2,-0.5 -38,-0.2 -0.878 14.0-135.1-107.4 149.9 53.2 -42.6 104.3 50 51 A G - 0 0 1 -40,-1.5 3,-0.2 -2,-0.4 31,-0.1 -0.388 14.3-130.9 -90.1 170.6 53.8 -43.9 100.8 51 52 A G >> + 0 0 10 1,-0.1 4,-2.1 -2,-0.1 3,-1.6 0.095 67.6 118.9-109.2 20.8 51.0 -44.6 98.3 52 53 A G T 34 + 0 0 10 1,-0.3 -1,-0.1 2,-0.2 -41,-0.0 0.669 63.4 62.3 -60.6 -27.8 52.2 -48.1 97.2 53 54 A N T 34 S+ 0 0 3 -3,-0.2 -31,-0.7 1,-0.1 -1,-0.3 0.477 116.7 33.7 -79.0 -3.7 49.2 -50.1 98.3 54 55 A I T <4 S+ 0 0 72 -3,-1.6 2,-0.4 1,-0.3 -2,-0.2 0.718 125.8 16.3-114.0 -49.2 47.1 -48.1 95.9 55 56 A F < + 0 0 41 -4,-2.1 2,-0.3 19,-0.1 -1,-0.3 -0.994 55.5 178.1-139.5 139.6 49.3 -47.3 92.9 56 57 A R >> - 0 0 127 -2,-0.4 3,-2.0 -3,-0.1 4,-0.7 -0.971 41.9-115.6-138.4 147.6 52.6 -48.4 91.4 57 58 A G H 3> S+ 0 0 47 -2,-0.3 4,-2.2 1,-0.3 5,-0.3 0.581 98.6 93.1 -55.1 -11.2 54.7 -47.5 88.3 58 59 A H H 3> S+ 0 0 135 1,-0.2 4,-0.8 2,-0.2 -1,-0.3 0.854 95.9 33.4 -52.8 -34.9 54.0 -51.1 87.2 59 60 A L H X> S+ 0 0 62 -3,-2.0 4,-1.9 2,-0.2 3,-0.7 0.948 107.7 64.5 -81.9 -61.8 51.0 -49.7 85.3 60 61 A A H 3<>S+ 0 0 7 -4,-0.7 5,-3.0 1,-0.3 4,-0.2 0.818 108.1 45.4 -29.9 -48.3 52.3 -46.3 84.3 61 62 A E H ><5S+ 0 0 157 -4,-2.2 3,-1.4 3,-0.2 -1,-0.3 0.929 107.4 58.9 -63.1 -47.4 54.9 -48.1 82.2 62 63 A E H <<5S+ 0 0 127 -4,-0.8 -2,-0.2 -3,-0.7 -1,-0.2 0.823 121.6 25.2 -53.0 -39.4 52.2 -50.4 80.9 63 64 A W T 3<5S- 0 0 193 -4,-1.9 -1,-0.3 -3,-0.2 -2,-0.2 0.216 110.5-119.1-112.2 13.9 50.2 -47.5 79.5 64 65 A G T < 5 + 0 0 63 -3,-1.4 2,-0.4 -5,-0.4 -3,-0.2 0.875 43.5 178.8 49.7 53.2 53.3 -45.2 79.1 65 66 A I < - 0 0 53 -5,-3.0 -1,-0.2 -6,-0.1 5,-0.2 -0.695 40.7 -96.2 -83.7 132.2 52.1 -42.5 81.5 66 67 A D >> - 0 0 92 -2,-0.4 4,-2.7 1,-0.1 3,-1.3 -0.163 30.2-122.7 -47.4 130.2 54.6 -39.7 81.8 67 68 A R H 3> S+ 0 0 121 1,-0.3 4,-1.9 2,-0.2 70,-0.2 0.842 114.9 52.8 -44.3 -42.1 56.7 -40.2 84.9 68 69 A V H 3> S+ 0 0 48 2,-0.2 4,-1.4 1,-0.2 -1,-0.3 0.875 111.6 47.5 -63.8 -33.7 55.6 -36.8 86.3 69 70 A E H <> S+ 0 0 111 -3,-1.3 4,-1.5 2,-0.2 -2,-0.2 0.926 108.8 52.1 -73.9 -45.6 52.0 -37.9 85.7 70 71 A A H X S+ 0 0 9 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.861 108.4 52.5 -55.1 -40.7 52.4 -41.3 87.4 71 72 A D H X S+ 0 0 29 -4,-1.9 4,-2.7 -5,-0.3 -1,-0.2 0.910 103.8 55.9 -65.6 -40.0 53.9 -39.6 90.4 72 73 A N H X S+ 0 0 89 -4,-1.4 4,-0.8 2,-0.2 -1,-0.2 0.839 111.2 45.1 -59.6 -36.0 51.0 -37.2 90.7 73 74 A I H >X S+ 0 0 73 -4,-1.5 4,-1.2 2,-0.2 3,-1.0 0.946 111.3 52.0 -71.1 -47.9 48.7 -40.2 90.9 74 75 A G H 3X S+ 0 0 18 -4,-2.6 4,-0.9 1,-0.3 -2,-0.2 0.832 106.2 56.6 -54.8 -36.3 51.0 -41.9 93.3 75 76 A T H 3X S+ 0 0 22 -4,-2.7 4,-1.1 1,-0.2 56,-0.5 0.759 98.8 57.0 -66.7 -35.8 50.9 -38.8 95.5 76 77 A L H X S+ 0 0 73 -4,-2.5 4,-1.9 2,-0.2 3,-1.1 0.993 111.6 50.5 -51.6 -70.1 42.7 -43.6 106.6 85 86 A L H 3X S+ 0 0 2 -4,-2.5 4,-3.0 1,-0.3 -2,-0.2 0.793 108.5 54.1 -35.1 -44.0 45.5 -43.8 109.2 86 87 A R H 3X S+ 0 0 73 -4,-2.4 4,-2.9 -5,-0.2 -1,-0.3 0.945 107.0 50.3 -63.3 -46.0 44.1 -40.7 110.9 87 88 A G H X S+ 0 0 0 -4,-3.0 4,-1.5 -5,-0.3 3,-0.7 0.904 108.7 53.4 -60.1 -42.2 44.5 -43.4 115.0 90 91 A T H 3< S+ 0 0 75 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.874 102.3 58.6 -59.4 -42.0 41.5 -41.4 116.2 91 92 A S H 3< S+ 0 0 91 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.808 116.8 33.2 -58.7 -30.5 39.6 -44.5 117.1 92 93 A K H << S+ 0 0 82 -4,-1.0 2,-0.3 -3,-0.7 -1,-0.2 0.558 115.9 52.4-104.9 -15.8 42.4 -45.6 119.5 93 94 A T < - 0 0 21 -4,-1.5 4,-0.1 -3,-0.2 -57,-0.0 -0.785 54.8-152.9-119.1 168.8 43.8 -42.3 120.9 94 95 A N S S+ 0 0 174 -2,-0.3 -1,-0.1 2,-0.1 -4,-0.1 0.457 71.2 106.5-110.5 -14.6 42.3 -39.2 122.6 95 96 A K S S- 0 0 87 -6,-0.1 2,-0.4 1,-0.1 -2,-0.1 -0.161 81.3-105.1 -61.2 159.1 45.2 -37.2 121.2 96 97 A E - 0 0 92 28,-0.2 30,-3.6 24,-0.1 2,-0.4 -0.724 34.1-166.6 -88.2 137.4 44.7 -34.9 118.4 97 98 A V E -e 126 0B 7 -2,-0.4 2,-0.5 28,-0.2 30,-0.2 -0.998 3.9-161.1-128.1 123.3 46.0 -36.1 115.0 98 99 A R E -e 127 0B 46 28,-3.5 30,-3.2 -2,-0.4 2,-0.5 -0.940 9.0-151.5-112.1 130.7 46.3 -33.7 112.1 99 100 A V E -e 128 0B 3 -2,-0.5 11,-2.3 28,-0.2 2,-0.4 -0.846 17.9-174.4 -97.7 123.8 46.6 -34.5 108.4 100 101 A M E -ef 129 110B 0 28,-3.1 30,-2.0 -2,-0.5 2,-0.3 -0.986 6.8-155.3-121.7 131.3 48.5 -31.8 106.5 101 102 A T E -ef 130 111B 1 9,-2.2 11,-2.7 -2,-0.4 30,-0.2 -0.686 22.7-146.5-107.7 154.4 48.9 -31.9 102.7 102 103 A S S S+ 0 0 31 28,-1.2 29,-0.1 -2,-0.3 -1,-0.1 0.532 104.0 53.4 -92.9 -5.5 51.5 -30.4 100.3 103 104 A I S S- 0 0 60 27,-0.2 -1,-0.2 29,-0.0 3,-0.1 -0.931 102.2-127.8-126.2 89.2 48.6 -29.9 97.8 104 105 A P + 0 0 79 0, 0.0 6,-0.1 0, 0.0 -2,-0.1 -0.294 39.4 166.1 -49.9 113.8 46.1 -28.0 99.9 105 106 A F - 0 0 72 4,-0.2 5,-0.1 -2,-0.1 -3,-0.0 0.701 26.3-164.3-101.4 -27.0 42.9 -29.9 99.5 106 107 A N + 0 0 68 3,-0.8 4,-0.2 1,-0.1 252,-0.0 0.528 69.0 36.7 49.6 145.3 41.1 -28.1 102.4 107 108 A A S S+ 0 0 58 1,-0.2 -1,-0.1 2,-0.2 3,-0.1 0.745 121.6 54.7 52.7 20.7 38.0 -29.5 103.9 108 109 A V S S- 0 0 71 1,-0.6 2,-0.3 -9,-0.1 -1,-0.2 0.299 130.2 -20.5-142.2 -40.9 39.7 -32.8 103.3 109 110 A A S S- 0 0 13 -11,-0.0 -3,-0.8 -8,-0.0 -1,-0.6 -0.948 79.7 -84.0-160.4 168.7 43.0 -32.0 105.2 110 111 A E E -f 100 0B 38 -11,-2.3 -9,-2.2 -2,-0.3 3,-0.0 -0.639 45.9-108.5 -82.0 139.9 44.8 -28.8 106.3 111 112 A P E -f 101 0B 36 0, 0.0 2,-0.5 0, 0.0 -9,-0.2 -0.361 47.1-103.0 -62.2 138.6 47.1 -27.1 103.8 112 113 A Y + 0 0 26 -11,-2.7 2,-0.4 18,-0.1 -12,-0.0 -0.573 47.5 171.0 -71.2 125.7 50.6 -27.8 105.0 113 114 A I > - 0 0 34 -2,-0.5 4,-2.1 1,-0.2 3,-0.3 -0.996 27.9-140.9-137.1 125.5 52.3 -24.9 106.8 114 115 A R H >> S+ 0 0 85 -2,-0.4 4,-2.6 1,-0.2 3,-0.8 0.927 97.8 42.9 -49.9 -69.1 55.6 -25.4 108.5 115 116 A L H 3> S+ 0 0 105 1,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.769 114.7 54.2 -55.9 -24.7 55.3 -23.3 111.6 116 117 A R H 3> S+ 0 0 114 -3,-0.3 4,-2.5 2,-0.2 -1,-0.3 0.863 109.0 48.2 -72.6 -38.3 51.7 -24.6 112.1 117 118 A A H S+ 0 0 6 -4,-2.5 5,-2.1 2,-0.2 -2,-0.2 0.968 112.1 49.0 -49.2 -56.3 50.9 -28.7 116.5 121 122 A L H ><5S+ 0 0 0 -4,-2.3 3,-1.6 1,-0.3 -2,-0.2 0.889 109.9 51.9 -50.9 -46.7 53.8 -31.0 117.4 122 123 A D H 3<5S+ 0 0 90 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.886 105.8 55.3 -58.3 -39.0 54.7 -28.7 120.2 123 124 A N T 3<5S- 0 0 102 -4,-2.6 -1,-0.3 -3,-0.2 -2,-0.2 0.179 124.7-105.0 -80.5 16.2 51.1 -29.0 121.4 124 125 A G T < 5S+ 0 0 38 -3,-1.6 -3,-0.2 1,-0.2 -28,-0.2 0.584 71.3 145.7 73.2 12.6 51.4 -32.8 121.5 125 126 A Y < - 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