==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=16-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 16-FEB-10 2X61 . COMPND 2 MOLECULE: ALPHA-2,3-/2,8-SIALYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CAMPYLOBACTER JEJUNI; . AUTHOR H.J.LEE,L.L.LAIRSON,J.R.RICH,W.W.WAKARCHUK,S.G.WITHERS, . 488 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24016.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 329 67.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 64 13.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.8 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 39 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 65 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 130 26.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.4 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 2 0 2 2 0 0 2 2 0 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 4 2 2 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 . 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 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 2 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 2 A K 0 0 120 0, 0.0 144,-1.9 0, 0.0 145,-1.5 0.000 360.0 360.0 360.0-172.1 -24.9 16.1 -14.2 2 3 A K E -a 146 0A 44 142,-0.2 23,-1.8 143,-0.2 2,-0.4 -0.809 360.0-177.8-114.1 139.0 -27.4 17.6 -11.7 3 4 A V E -ab 147 25A 0 143,-2.2 145,-3.1 -2,-0.4 2,-0.6 -0.993 19.3-146.6-137.7 141.2 -27.9 17.0 -7.9 4 5 A I E -ab 148 26A 0 21,-3.0 23,-2.6 -2,-0.4 2,-0.5 -0.933 18.5-161.1-101.7 121.4 -30.2 18.3 -5.2 5 6 A I E -ab 149 27A 0 143,-2.5 145,-2.1 -2,-0.6 2,-0.5 -0.914 8.7-163.4-107.4 124.6 -28.5 18.5 -1.8 6 7 A A E -a 150 0A 0 21,-2.1 23,-0.4 -2,-0.5 145,-0.2 -0.922 14.2-174.0-117.8 120.8 -30.8 18.6 1.2 7 8 A G - 0 0 8 143,-2.6 145,-0.2 -2,-0.5 20,-0.0 -0.316 37.4-114.2 -81.7-175.5 -30.2 19.7 4.8 8 9 A N + 0 0 13 143,-0.2 153,-2.3 -2,-0.1 154,-0.3 0.119 67.2 129.0-115.6 19.6 -33.0 19.2 7.3 9 10 A G S > S- 0 0 9 142,-2.4 3,-2.0 151,-0.2 4,-0.2 -0.193 78.9 -91.9 -66.1 166.7 -33.8 22.8 8.2 10 11 A P G > S+ 0 0 38 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 0.737 118.9 73.7 -54.6 -27.5 -37.4 24.2 8.1 11 12 A S G > S+ 0 0 6 1,-0.3 3,-2.4 2,-0.2 192,-0.1 0.674 74.0 81.5 -66.7 -15.2 -36.9 25.3 4.5 12 13 A L G X S+ 0 0 0 -3,-2.0 3,-0.5 1,-0.3 -1,-0.3 0.834 92.1 52.2 -53.0 -30.8 -37.1 21.7 3.4 13 14 A K G < S+ 0 0 45 -3,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.343 106.4 54.9 -85.6 3.3 -40.9 22.2 3.7 14 15 A E G < + 0 0 113 -3,-2.4 189,-0.4 -4,-0.1 2,-0.2 -0.164 67.4 148.7-136.6 41.8 -40.8 25.3 1.5 15 16 A I < - 0 0 13 -3,-0.5 2,-1.1 186,-0.1 186,-0.2 -0.571 48.4-130.5 -72.3 138.6 -39.2 24.3 -1.8 16 17 A D > - 0 0 46 184,-2.5 3,-2.1 -2,-0.2 4,-0.1 -0.801 23.0-166.3 -88.0 95.5 -40.5 26.1 -4.9 17 18 A Y G > S+ 0 0 36 -2,-1.1 3,-1.2 1,-0.3 -1,-0.1 0.638 78.0 72.1 -68.1 -13.4 -41.1 23.1 -7.0 18 19 A S G 3 S+ 0 0 27 1,-0.2 198,-2.6 199,-0.1 200,-1.3 0.687 95.8 56.8 -71.7 -12.6 -41.4 25.0 -10.3 19 20 A R G < S+ 0 0 53 -3,-2.1 -1,-0.2 196,-0.2 -2,-0.2 0.353 76.1 123.6-100.1 4.2 -37.7 25.5 -10.0 20 21 A L < - 0 0 4 -3,-1.2 198,-0.2 -4,-0.1 196,-0.2 -0.427 67.9-110.7 -62.2 138.3 -36.7 21.8 -9.9 21 22 A P - 0 0 5 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.206 27.0-105.2 -67.1 164.3 -34.3 20.9 -12.7 22 23 A N S S+ 0 0 130 1,-0.2 2,-0.3 196,-0.0 -2,-0.1 0.828 101.5 4.6 -66.5 -34.0 -35.4 18.7 -15.6 23 24 A D S S+ 0 0 104 2,-0.0 2,-0.3 -20,-0.0 -1,-0.2 -0.984 80.2 155.5-147.3 151.5 -33.5 15.6 -14.3 24 25 A F - 0 0 50 -2,-0.3 2,-0.3 -3,-0.1 -21,-0.2 -0.991 35.7-124.7-171.2 157.0 -31.6 15.0 -11.0 25 26 A D E -b 3 0A 25 -23,-1.8 -21,-3.0 -2,-0.3 2,-0.4 -0.753 31.0-134.8-103.1 157.4 -30.1 12.9 -8.2 26 27 A V E -b 4 0A 7 -2,-0.3 19,-2.6 -23,-0.2 20,-1.5 -0.964 11.7-164.4-122.3 131.6 -30.8 13.5 -4.5 27 28 A F E +bc 5 46A 0 -23,-2.6 -21,-2.1 -2,-0.4 2,-0.3 -0.950 15.4 178.1-108.7 129.8 -28.4 13.6 -1.4 28 29 A R E - c 0 47A 1 18,-2.2 20,-2.0 -2,-0.4 2,-0.3 -0.851 6.2-161.1-124.8 162.5 -29.9 13.3 2.1 29 30 A C E > - c 0 48A 5 -23,-0.4 3,-1.2 -2,-0.3 20,-0.2 -0.960 40.4 -25.7-144.4 160.4 -28.4 13.2 5.6 30 31 A N T 3 S+ 0 0 25 18,-2.5 3,-0.4 -2,-0.3 2,-0.3 -0.045 123.2 5.2 47.6-121.6 -28.8 12.4 9.3 31 32 A Q T > S+ 0 0 8 1,-0.2 3,-2.1 2,-0.1 -1,-0.2 -0.013 85.7 129.6 -88.5 35.0 -32.4 12.4 10.5 32 33 A F G X + 0 0 1 -3,-1.2 3,-2.1 -2,-0.3 -1,-0.2 0.846 63.5 64.8 -56.6 -36.4 -33.9 13.0 7.1 33 34 A Y G 3 S+ 0 0 0 -3,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.597 80.9 79.6 -70.3 -10.3 -36.4 10.2 7.4 34 35 A F G < + 0 0 5 -3,-2.1 -1,-0.3 196,-0.1 129,-0.2 0.619 68.7 119.1 -66.4 -12.1 -38.1 12.1 10.3 35 36 A E < - 0 0 0 -3,-2.1 127,-0.1 -4,-0.2 3,-0.0 -0.248 64.0-142.9 -58.5 141.3 -39.8 14.1 7.6 36 37 A D S S+ 0 0 23 125,-0.3 189,-1.5 188,-0.0 2,-0.3 0.611 83.5 28.7 -84.0 -11.5 -43.6 13.8 7.6 37 38 A K B S-H 224 0B 55 187,-0.2 2,-2.1 4,-0.0 187,-0.2 -0.957 91.3-101.8-139.6 160.2 -43.9 13.9 3.7 38 39 A Y > + 0 0 14 185,-2.9 3,-1.5 -2,-0.3 185,-0.4 -0.481 45.5 172.7 -80.9 72.4 -41.6 12.8 0.9 39 40 A Y T 3 S+ 0 0 14 -2,-2.1 -1,-0.2 1,-0.3 3,-0.1 0.732 82.7 19.1 -57.6 -24.0 -40.4 16.4 0.1 40 41 A L T 3 S- 0 0 5 1,-0.4 -1,-0.3 -3,-0.2 3,-0.2 0.128 119.6-100.3-131.4 21.1 -37.9 15.1 -2.4 41 42 A G < - 0 0 20 -3,-1.5 -1,-0.4 1,-0.1 -2,-0.1 -0.161 36.1 -79.0 88.0 176.9 -39.2 11.6 -3.1 42 43 A K S S+ 0 0 78 -4,-0.1 29,-2.2 28,-0.1 2,-0.6 0.638 99.5 88.2 -89.0 -19.7 -38.3 8.1 -1.9 43 44 A K E - d 0 71A 141 27,-0.2 2,-0.4 -3,-0.2 29,-0.2 -0.758 53.7-176.3 -97.9 115.6 -35.2 7.6 -4.1 44 45 A C E - d 0 72A 6 27,-3.1 29,-1.0 -2,-0.6 -17,-0.2 -0.873 24.1-160.2-106.5 140.7 -31.8 8.8 -2.9 45 46 A K E S- 0 0 49 -19,-2.6 29,-2.1 -2,-0.4 2,-0.3 0.856 85.1 -0.9 -77.0 -38.3 -28.5 8.7 -4.8 46 47 A A E -cd 27 74A 0 -20,-1.5 -18,-2.2 27,-0.2 2,-0.4 -0.996 58.1-156.7-152.4 145.8 -26.7 8.9 -1.5 47 48 A V E -cd 28 75A 1 27,-1.6 29,-3.2 -2,-0.3 2,-0.4 -0.977 15.7-153.3-122.0 141.5 -27.3 9.3 2.3 48 49 A F E +cd 29 76A 1 -20,-2.0 -18,-2.5 -2,-0.4 2,-0.3 -0.935 12.9 179.2-119.8 134.8 -24.7 10.7 4.7 49 50 A Y E - d 0 77A 0 27,-2.2 29,-2.4 -2,-0.4 5,-0.1 -0.986 28.6-112.9-134.3 145.4 -24.3 10.0 8.5 50 51 A N >> - 0 0 60 -2,-0.3 3,-1.0 27,-0.2 4,-0.6 -0.410 26.8-119.5 -70.6 148.0 -21.9 11.2 11.2 51 52 A P G >4 S+ 0 0 27 0, 0.0 3,-0.9 0, 0.0 4,-0.5 0.855 108.6 66.2 -51.1 -38.6 -19.4 8.7 12.8 52 53 A S G 34 S+ 0 0 97 1,-0.3 3,-0.0 33,-0.1 34,-0.0 0.787 119.2 19.5 -62.3 -29.9 -20.9 9.3 16.3 53 54 A L G <> S+ 0 0 21 -3,-1.0 4,-2.7 2,-0.1 -1,-0.3 0.225 90.6 110.8-120.4 13.6 -24.3 7.7 15.3 54 55 A F H S+ 0 0 29 -4,-0.5 4,-1.3 1,-0.2 -1,-0.2 0.917 115.7 37.1 -53.3 -47.9 -23.7 2.2 13.9 56 57 A E H > S+ 0 0 13 -3,-0.2 4,-2.2 1,-0.2 177,-0.4 0.862 116.1 53.0 -76.8 -35.0 -27.3 3.0 14.8 57 58 A Q H X S+ 0 0 2 -4,-2.7 4,-2.7 2,-0.2 -2,-0.2 0.853 106.8 51.6 -70.1 -35.7 -28.1 4.9 11.5 58 59 A Y H X S+ 0 0 41 -4,-2.7 4,-1.9 -5,-0.2 -1,-0.2 0.935 111.4 47.8 -65.4 -46.4 -26.9 2.0 9.3 59 60 A Y H X S+ 0 0 116 -4,-1.3 4,-1.3 -5,-0.3 -2,-0.2 0.908 113.7 48.1 -57.8 -44.7 -29.1 -0.4 11.2 60 61 A T H X S+ 0 0 0 -4,-2.2 4,-2.2 173,-0.2 3,-0.2 0.908 108.2 54.1 -65.8 -40.8 -32.0 2.1 10.9 61 62 A L H X S+ 0 0 2 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.881 103.4 55.4 -63.4 -39.6 -31.4 2.6 7.1 62 63 A K H X S+ 0 0 78 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.871 108.5 49.9 -61.7 -35.1 -31.6 -1.2 6.4 63 64 A H H X S+ 0 0 76 -4,-1.3 4,-2.3 -3,-0.2 -2,-0.2 0.911 108.6 52.0 -64.9 -46.0 -35.0 -1.1 8.1 64 65 A L H <>S+ 0 0 0 -4,-2.2 5,-2.7 2,-0.2 6,-1.0 0.873 112.4 45.5 -57.8 -40.9 -36.2 1.8 6.0 65 66 A I H ><5S+ 0 0 62 -4,-2.2 3,-1.4 3,-0.2 -2,-0.2 0.936 113.5 48.0 -71.1 -46.8 -35.1 -0.0 2.8 66 67 A Q H 3<5S+ 0 0 158 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.859 111.7 51.2 -59.3 -37.1 -36.7 -3.4 3.8 67 68 A N T 3<5S- 0 0 85 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.2 0.363 113.8-120.9 -85.3 3.4 -40.0 -1.5 4.8 68 69 A Q T < 5S+ 0 0 158 -3,-1.4 -3,-0.2 2,-0.2 -2,-0.1 0.770 77.1 124.6 60.9 31.6 -40.0 0.2 1.3 69 70 A E S > - 0 0 33 1,-0.1 3,-1.7 5,-0.0 4,-1.6 -0.984 49.0-149.1-126.3 122.5 -9.2 13.9 12.7 83 84 A A T 34 S+ 0 0 102 -2,-0.4 5,-0.1 1,-0.3 -1,-0.1 0.813 97.6 55.3 -62.1 -33.2 -8.5 12.2 16.1 84 85 A H T 34 S+ 0 0 112 1,-0.2 -1,-0.3 3,-0.1 3,-0.1 0.641 115.8 39.3 -75.6 -9.5 -10.5 14.8 18.1 85 86 A L T <4 S+ 0 0 47 -3,-1.7 2,-0.3 1,-0.2 -2,-0.2 0.671 116.7 29.2-110.8 -24.1 -13.6 14.1 16.0 86 87 A E S < S- 0 0 18 -4,-1.6 2,-0.2 -35,-0.1 -1,-0.2 -0.992 78.0-100.0-148.7 147.6 -13.7 10.3 15.3 87 88 A N > - 0 0 56 -2,-0.3 4,-1.6 159,-0.2 5,-0.2 -0.488 28.6-143.9 -66.6 128.1 -12.7 6.9 16.7 88 89 A E H > S+ 0 0 166 -2,-0.2 4,-2.4 1,-0.2 -1,-0.1 0.881 98.8 48.4 -65.6 -42.9 -9.5 5.6 15.1 89 90 A N H > S+ 0 0 35 156,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.864 105.6 59.9 -66.6 -34.9 -10.5 2.0 15.1 90 91 A F H > S+ 0 0 5 155,-0.2 4,-0.5 1,-0.2 -1,-0.2 0.927 111.3 40.0 -56.1 -46.9 -13.9 2.9 13.6 91 92 A V H >< S+ 0 0 27 -4,-1.6 3,-0.7 1,-0.2 4,-0.3 0.915 113.4 54.0 -70.9 -42.7 -12.1 4.4 10.6 92 93 A K H 3< S+ 0 0 160 -4,-2.4 3,-0.2 1,-0.2 -2,-0.2 0.885 119.8 31.5 -59.2 -40.0 -9.5 1.7 10.3 93 94 A T H >X S+ 0 0 24 -4,-2.3 3,-1.5 1,-0.2 4,-1.3 0.343 85.7 113.8-103.2 4.5 -12.0 -1.2 10.2 94 95 A F H XX S+ 0 0 0 -3,-0.7 4,-2.5 -4,-0.5 3,-0.6 0.839 74.6 49.2 -47.6 -50.6 -14.9 0.6 8.4 95 96 A Y H 34 S+ 0 0 80 -4,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.705 110.5 52.3 -71.8 -15.6 -14.9 -1.3 5.1 96 97 A D H <4 S+ 0 0 140 -3,-1.5 -1,-0.2 2,-0.1 -2,-0.2 0.726 116.1 38.4 -90.2 -22.1 -14.9 -4.7 7.0 97 98 A Y H << S+ 0 0 111 -4,-1.3 -2,-0.2 -3,-0.6 -3,-0.1 0.758 132.1 26.2 -93.2 -29.1 -17.9 -3.8 9.2 98 99 A F S >< S+ 0 0 11 -4,-2.5 3,-2.1 -5,-0.2 -1,-0.2 -0.613 70.0 171.4-134.2 70.9 -19.9 -1.9 6.5 99 100 A P T 3 S+ 0 0 100 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.677 77.4 48.8 -65.2 -21.3 -18.8 -3.4 3.1 100 101 A D T 3 S+ 0 0 77 2,-0.0 -25,-0.4 -26,-0.0 2,-0.2 0.311 102.5 78.4 -99.2 7.9 -21.4 -1.6 1.0 101 102 A A < - 0 0 1 -3,-2.1 2,-0.3 -7,-0.1 -25,-0.2 -0.562 67.7-137.7-106.8 174.2 -20.8 1.8 2.5 102 103 A H E -e 76 0A 61 -27,-2.8 -25,-2.1 -2,-0.2 2,-0.6 -0.981 17.4-120.2-131.8 145.9 -18.0 4.5 2.0 103 104 A L E > -e 77 0A 9 -2,-0.3 3,-1.5 -27,-0.2 4,-0.4 -0.761 25.5-143.6 -73.9 121.4 -15.9 6.8 4.1 104 105 A G T >> S+ 0 0 0 -27,-3.1 4,-2.6 -2,-0.6 3,-1.7 0.820 96.1 68.1 -59.9 -30.3 -16.9 10.2 2.9 105 106 A Y H 3> S+ 0 0 25 -28,-0.4 4,-2.5 1,-0.3 -1,-0.3 0.770 83.9 70.6 -62.7 -25.5 -13.3 11.4 3.4 106 107 A D H <4 S+ 0 0 47 -3,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.780 113.8 29.3 -61.9 -23.8 -12.2 9.1 0.5 107 108 A F H X4 S+ 0 0 35 -3,-1.7 3,-1.4 -4,-0.4 4,-0.4 0.813 116.2 58.1 -99.4 -41.8 -14.0 11.6 -1.7 108 109 A F H >< S+ 0 0 0 -4,-2.6 3,-1.8 1,-0.3 7,-0.3 0.888 101.6 57.3 -54.6 -43.7 -13.5 14.8 0.3 109 110 A K T 3< S+ 0 0 99 -4,-2.5 -1,-0.3 1,-0.3 -3,-0.1 0.657 88.6 74.4 -70.1 -15.5 -9.7 14.4 0.3 110 111 A Q T < S+ 0 0 122 -3,-1.4 2,-1.2 1,-0.2 -1,-0.3 0.741 85.6 69.8 -67.9 -20.4 -9.8 14.4 -3.6 111 112 A L <> + 0 0 11 -3,-1.8 4,-2.7 -4,-0.4 5,-0.2 -0.718 69.3 177.0 -94.5 84.7 -10.5 18.2 -3.3 112 113 A K H > S+ 0 0 165 -2,-1.2 4,-2.5 1,-0.2 5,-0.2 0.918 74.3 49.1 -58.4 -49.7 -7.0 19.1 -2.0 113 114 A D H > S+ 0 0 91 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.899 115.3 44.7 -60.6 -41.1 -7.6 22.9 -1.8 114 115 A F H > S+ 0 0 0 2,-0.2 4,-3.2 1,-0.2 -1,-0.2 0.892 109.7 54.5 -71.2 -40.0 -10.9 22.5 0.1 115 116 A N H X S+ 0 0 23 -4,-2.7 4,-2.6 -7,-0.3 5,-0.2 0.940 111.4 46.6 -54.4 -46.3 -9.5 19.9 2.5 116 117 A A H X S+ 0 0 62 -4,-2.5 4,-2.2 -5,-0.2 -2,-0.2 0.920 111.9 51.2 -62.2 -43.3 -6.8 22.4 3.3 117 118 A Y H X S+ 0 0 45 -4,-2.1 4,-1.7 -5,-0.2 -2,-0.2 0.943 113.2 44.5 -57.8 -52.6 -9.4 25.1 3.7 118 119 A F H X S+ 0 0 3 -4,-3.2 4,-2.5 1,-0.2 -2,-0.2 0.910 112.8 50.0 -58.9 -48.5 -11.5 23.0 6.0 119 120 A K H X S+ 0 0 30 -4,-2.6 4,-2.5 -5,-0.2 5,-0.4 0.894 108.3 52.3 -64.6 -40.4 -8.6 21.8 8.2 120 121 A F H X>S+ 0 0 102 -4,-2.2 4,-1.9 -5,-0.2 5,-0.6 0.950 113.6 43.1 -61.4 -48.4 -7.2 25.3 8.8 121 122 A H H X5S+ 0 0 40 -4,-1.7 6,-2.1 -5,-0.2 4,-1.2 0.896 117.9 45.2 -64.9 -41.3 -10.5 26.7 10.0 122 123 A E H X5S+ 0 0 6 -4,-2.5 4,-1.0 4,-0.2 -2,-0.2 0.960 118.8 39.0 -67.0 -54.1 -11.4 23.6 12.2 123 124 A I H <5S+ 0 0 91 -4,-2.5 -2,-0.2 -5,-0.2 -3,-0.2 0.927 129.2 26.3 -64.6 -48.0 -8.0 23.2 13.9 124 125 A Y H <5S+ 0 0 162 -4,-1.9 -3,-0.2 -5,-0.4 -1,-0.1 0.800 133.9 25.6 -94.8 -28.2 -7.0 26.8 14.4 125 126 A F H <> - 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