==== 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 14-FEB-10 2X63 . 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, . 258 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12469.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 167 64.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 12.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 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 . 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 . 21 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 63 24.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.6 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 1 1 1 0 0 0 1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 1 3 0 1 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 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 1 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 0 141 0, 0.0 144,-0.6 0, 0.0 145,-0.4 0.000 360.0 360.0 360.0 162.7 28.5 -11.7 3.9 2 3 A K E -a 24 0A 69 21,-1.2 23,-2.3 142,-0.1 2,-0.4 -0.673 360.0-141.8 -89.7 153.8 31.4 -10.6 1.6 3 4 A V E -ab 25 147A 0 143,-2.3 145,-2.9 -2,-0.3 2,-0.6 -0.954 8.3-150.2-124.2 140.0 30.9 -11.0 -2.1 4 5 A I E -ab 26 148A 0 21,-3.3 23,-3.0 -2,-0.4 2,-0.6 -0.932 15.4-163.7-103.3 119.3 33.3 -12.0 -4.9 5 6 A I E -ab 27 149A 0 143,-2.6 145,-1.8 -2,-0.6 2,-0.6 -0.918 8.7-163.9-107.3 121.7 32.3 -10.4 -8.2 6 7 A A E - b 0 150A 0 21,-2.1 23,-0.4 -2,-0.6 145,-0.2 -0.917 12.9-170.6-117.5 118.7 33.9 -12.1 -11.2 7 8 A G - 0 0 8 143,-2.7 145,-0.2 -2,-0.6 22,-0.0 -0.248 36.6-114.3 -77.4-175.8 34.3 -10.7 -14.7 8 9 A N + 0 0 10 143,-0.2 154,-2.7 -2,-0.1 155,-0.2 0.054 68.9 128.0-114.8 25.2 35.5 -13.2 -17.4 9 10 A G S > S- 0 0 11 142,-2.6 3,-2.1 152,-0.2 4,-0.2 -0.202 78.8 -91.7 -69.2 169.4 38.9 -11.5 -18.2 10 11 A P G > S+ 0 0 48 0, 0.0 3,-2.3 0, 0.0 4,-0.1 0.773 119.7 72.0 -56.4 -30.8 42.2 -13.3 -18.1 11 12 A S G > S+ 0 0 5 1,-0.3 3,-1.8 2,-0.2 202,-0.1 0.634 75.6 81.4 -65.5 -11.8 42.8 -12.5 -14.5 12 13 A L G < S+ 0 0 0 -3,-2.1 3,-0.5 1,-0.3 -1,-0.3 0.800 94.8 48.6 -56.6 -26.9 40.0 -14.9 -13.6 13 14 A K G < S+ 0 0 101 -3,-2.3 -1,-0.3 -4,-0.2 -2,-0.2 0.361 108.6 53.6 -96.4 4.4 42.9 -17.5 -14.0 14 15 A E < + 0 0 100 -3,-1.8 199,-0.4 -4,-0.1 -1,-0.2 -0.150 68.7 150.2-133.2 37.2 45.3 -15.6 -11.8 15 16 A I - 0 0 13 -3,-0.5 2,-1.2 196,-0.1 196,-0.2 -0.493 49.7-129.0 -63.9 137.7 43.5 -15.0 -8.6 16 17 A D > - 0 0 45 194,-2.9 3,-2.3 -2,-0.2 4,-0.1 -0.767 25.7-168.8 -88.8 94.1 45.8 -14.9 -5.6 17 18 A Y G > S+ 0 0 33 -2,-1.2 3,-1.4 1,-0.3 -1,-0.2 0.654 77.0 73.2 -65.8 -17.9 43.9 -17.5 -3.5 18 19 A S G 3 S+ 0 0 31 1,-0.3 208,-3.0 209,-0.1 210,-1.4 0.650 99.5 51.0 -67.2 -11.2 45.8 -16.7 -0.4 19 20 A R G < S+ 0 0 50 -3,-2.3 -1,-0.3 206,-0.2 -2,-0.2 0.357 78.3 123.6-105.0 0.6 43.7 -13.5 -0.4 20 21 A L < - 0 0 4 -3,-1.4 208,-0.1 -4,-0.1 206,-0.1 -0.481 67.8-116.5 -65.2 128.8 40.3 -15.3 -0.8 21 22 A P - 0 0 4 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 -0.188 19.2-118.1 -64.0 163.4 38.1 -14.2 2.1 22 23 A N S S+ 0 0 158 1,-0.3 2,-0.4 206,-0.0 -2,-0.1 0.901 97.5 23.3 -72.9 -42.0 36.9 -16.9 4.5 23 24 A D S S+ 0 0 96 2,-0.0 -21,-1.2 -20,-0.0 2,-0.3 -0.930 82.8 147.1-134.2 107.2 33.1 -16.7 4.0 24 25 A F E -a 2 0A 52 -2,-0.4 2,-0.3 -3,-0.2 -21,-0.2 -0.913 40.1-132.2-140.0 159.7 31.8 -15.2 0.7 25 26 A D E -a 3 0A 21 -23,-2.3 -21,-3.3 -2,-0.3 2,-0.4 -0.807 28.9-133.9-105.5 155.0 29.1 -15.4 -2.0 26 27 A V E -a 4 0A 7 -2,-0.3 19,-2.4 -23,-0.2 20,-1.7 -0.943 13.0-164.3-120.3 132.3 30.0 -15.5 -5.7 27 28 A F E +ac 5 46A 0 -23,-3.0 -21,-2.1 -2,-0.4 2,-0.3 -0.955 14.9 176.4-111.4 126.7 28.5 -13.5 -8.6 28 29 A R E - c 0 47A 0 18,-2.1 20,-2.2 -2,-0.5 2,-0.3 -0.853 7.6-161.4-124.8 161.3 29.2 -14.7 -12.1 29 30 A C E > - c 0 48A 5 -23,-0.4 3,-1.1 -2,-0.3 20,-0.2 -0.977 41.4 -25.5-142.9 156.3 27.9 -13.4 -15.4 30 31 A N T 3 S+ 0 0 31 18,-2.8 3,-0.5 -2,-0.3 -2,-0.0 -0.120 123.9 5.2 55.8-123.3 27.4 -14.2 -19.1 31 32 A Q T > S+ 0 0 11 1,-0.2 3,-2.3 2,-0.1 -1,-0.3 0.002 85.3 130.3 -87.2 32.3 29.7 -17.0 -20.5 32 33 A F G X + 0 0 0 -3,-1.1 3,-1.8 1,-0.3 -1,-0.2 0.845 64.3 64.3 -52.7 -36.8 31.2 -17.7 -17.1 33 34 A Y G 3 S+ 0 0 0 -3,-0.5 -1,-0.3 1,-0.3 -2,-0.1 0.597 81.0 78.3 -69.6 -11.5 30.6 -21.4 -17.6 34 35 A F G < + 0 0 5 -3,-2.3 130,-0.3 206,-0.1 -1,-0.3 0.631 69.7 119.9 -65.4 -14.7 33.0 -21.5 -20.6 35 36 A E < - 0 0 0 -3,-1.8 128,-0.1 -4,-0.2 3,-0.0 -0.236 64.7-141.7 -55.5 140.9 35.8 -21.6 -17.9 36 37 A D S S+ 0 0 54 126,-0.3 199,-1.2 1,-0.0 2,-0.3 0.640 82.9 25.4 -82.6 -14.1 38.0 -24.7 -18.1 37 38 A K B S-H 234 0B 59 197,-0.2 2,-2.3 4,-0.0 197,-0.2 -0.956 92.1 -98.8-141.7 160.4 38.3 -25.0 -14.3 38 39 A Y > + 0 0 17 195,-2.9 3,-1.9 -2,-0.3 195,-0.5 -0.421 46.2 172.2 -80.3 68.7 36.2 -24.0 -11.3 39 40 A Y T 3 S+ 0 0 5 -2,-2.3 -1,-0.2 1,-0.3 3,-0.1 0.705 83.4 20.6 -53.3 -22.6 38.3 -20.9 -10.6 40 41 A L T 3 S- 0 0 5 1,-0.4 -1,-0.3 -3,-0.2 3,-0.2 0.077 120.8 -96.0-132.4 22.7 35.7 -19.8 -8.0 41 42 A G < - 0 0 25 -3,-1.9 -1,-0.4 1,-0.2 -2,-0.1 -0.026 37.4 -87.6 82.8 169.0 33.9 -23.0 -7.2 42 43 A K S S+ 0 0 55 -4,-0.1 29,-2.6 28,-0.1 2,-0.6 0.537 98.8 92.7 -94.7 -4.9 30.6 -24.3 -8.7 43 44 A K E - d 0 71A 133 27,-0.2 2,-0.4 -3,-0.2 29,-0.2 -0.807 53.9-176.1 -96.6 116.7 28.4 -22.6 -6.2 44 45 A C E - d 0 72A 6 27,-2.7 29,-1.1 -2,-0.6 -17,-0.2 -0.879 26.5-158.3-109.2 140.8 27.1 -19.1 -7.2 45 46 A K E S- 0 0 50 -19,-2.4 29,-2.3 -2,-0.4 28,-0.4 0.892 86.8 -0.2 -74.9 -42.6 25.0 -16.8 -5.1 46 47 A A E -cd 27 74A 0 -20,-1.7 -18,-2.1 27,-0.2 2,-0.4 -0.996 58.2-156.5-146.2 148.0 23.9 -15.1 -8.4 47 48 A V E -cd 28 75A 1 27,-1.8 29,-3.2 -2,-0.3 2,-0.5 -0.986 16.8-154.5-121.0 138.8 24.4 -15.4 -12.1 48 49 A F E -cd 29 76A 0 -20,-2.2 -18,-2.8 -2,-0.4 2,-0.4 -0.942 9.4-172.6-117.4 130.6 23.8 -12.4 -14.3 49 50 A Y E - d 0 77A 0 27,-3.0 29,-2.4 -2,-0.5 5,-0.1 -0.981 25.7-118.3-124.0 138.3 22.9 -12.5 -18.0 50 51 A A - 0 0 30 -2,-0.4 3,-0.3 27,-0.2 4,-0.2 -0.224 29.6-116.0 -60.5 154.4 22.6 -9.6 -20.5 51 52 A P S > S+ 0 0 24 0, 0.0 3,-1.8 0, 0.0 4,-0.4 0.908 105.0 71.3 -60.3 -37.5 19.2 -9.1 -22.0 52 53 A S T 3 S+ 0 0 95 1,-0.3 3,-0.2 33,-0.2 206,-0.1 0.838 116.1 17.1 -56.4 -43.1 20.3 -10.0 -25.6 53 54 A L T 3> S+ 0 0 25 -3,-0.3 4,-2.5 1,-0.1 3,-0.4 0.110 88.4 120.0-113.3 26.1 20.9 -13.7 -25.1 54 55 A F H <> S+ 0 0 0 -3,-1.8 4,-2.5 -4,-0.2 5,-0.3 0.884 71.1 57.7 -56.9 -40.8 18.8 -14.1 -21.9 55 56 A F H > S+ 0 0 26 -4,-0.4 4,-1.4 1,-0.2 -1,-0.2 0.904 114.1 37.0 -58.2 -42.1 16.4 -16.6 -23.5 56 57 A E H > S+ 0 0 12 -3,-0.4 4,-2.6 2,-0.2 187,-0.4 0.835 114.9 54.5 -81.3 -32.1 19.2 -19.0 -24.4 57 58 A Q H X S+ 0 0 3 -4,-2.5 4,-3.2 2,-0.2 -2,-0.2 0.885 107.0 51.2 -68.9 -37.7 21.3 -18.4 -21.2 58 59 A Y H X S+ 0 0 36 -4,-2.5 4,-2.2 -5,-0.2 -2,-0.2 0.955 112.4 46.4 -63.8 -49.3 18.3 -19.3 -19.0 59 60 A Y H X S+ 0 0 114 -4,-1.4 4,-1.4 -5,-0.3 -2,-0.2 0.923 114.9 47.3 -53.0 -49.1 17.8 -22.5 -21.0 60 61 A T H X S+ 0 0 0 -4,-2.6 4,-2.5 183,-0.2 3,-0.3 0.926 108.2 54.7 -64.7 -43.6 21.5 -23.2 -20.8 61 62 A L H X S+ 0 0 1 -4,-3.2 4,-2.6 1,-0.2 5,-0.2 0.903 104.3 54.6 -56.7 -43.9 21.7 -22.5 -17.0 62 63 A K H X S+ 0 0 77 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.872 109.0 48.7 -58.2 -37.9 18.9 -25.0 -16.3 63 64 A H H X S+ 0 0 67 -4,-1.4 4,-2.5 -3,-0.3 -2,-0.2 0.924 109.9 51.6 -66.7 -44.0 21.0 -27.6 -18.1 64 65 A L H <>S+ 0 0 0 -4,-2.5 5,-2.6 2,-0.2 6,-1.0 0.890 113.9 44.0 -57.5 -43.2 24.1 -26.7 -16.1 65 66 A I H ><5S+ 0 0 61 -4,-2.6 3,-2.1 2,-0.2 -2,-0.2 0.956 113.5 49.2 -69.7 -49.4 22.1 -27.0 -12.9 66 67 A Q H 3<5S+ 0 0 149 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.851 112.6 50.6 -54.0 -36.1 20.4 -30.3 -14.0 67 68 A N T 3<5S- 0 0 80 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.427 110.4-125.5 -80.6 -3.9 23.9 -31.4 -14.9 68 69 A Q T < 5S+ 0 0 158 -3,-2.1 -3,-0.2 2,-0.2 -2,-0.1 0.768 75.6 123.9 59.0 28.4 25.3 -30.5 -11.5 69 70 A E S > - 0 0 34 1,-0.1 3,-1.6 5,-0.0 4,-1.2 -0.994 54.2-145.1-128.7 124.1 16.5 1.6 -21.9 83 84 A A T 34 S+ 0 0 88 -2,-0.4 3,-0.4 1,-0.3 -1,-0.1 0.873 101.6 54.1 -56.4 -36.7 14.8 0.9 -25.2 84 85 A H T 34 S+ 0 0 107 1,-0.2 -1,-0.3 -3,-0.1 3,-0.1 0.657 113.1 43.0 -74.7 -10.4 18.1 0.8 -27.0 85 86 A L T <4 S+ 0 0 38 -3,-1.6 2,-0.3 1,-0.2 -33,-0.2 0.589 120.3 17.6-107.6 -13.7 19.5 -1.9 -24.6 86 87 A E S < S- 0 0 17 -4,-1.2 2,-0.3 -3,-0.4 -1,-0.2 -0.997 79.6 -94.7-162.5 150.8 16.6 -4.3 -24.2 87 88 A N > - 0 0 41 -2,-0.3 4,-1.8 169,-0.2 5,-0.2 -0.568 30.7-143.5 -74.4 129.7 13.4 -5.5 -25.7 88 89 A E H > S+ 0 0 159 -2,-0.3 4,-2.4 1,-0.2 -1,-0.1 0.899 98.3 45.2 -65.2 -44.3 10.4 -3.7 -24.1 89 90 A N H > S+ 0 0 54 166,-0.3 4,-2.8 2,-0.2 -1,-0.2 0.886 107.8 59.8 -68.0 -37.5 8.0 -6.7 -24.1 90 91 A F H 4 S+ 0 0 5 165,-0.2 4,-0.4 1,-0.2 -1,-0.2 0.937 110.9 41.3 -51.1 -48.4 10.7 -8.9 -22.8 91 92 A V H >< S+ 0 0 24 -4,-1.8 3,-0.8 1,-0.2 4,-0.3 0.914 113.2 53.0 -70.5 -40.5 11.0 -6.7 -19.8 92 93 A K H 3< S+ 0 0 167 -4,-2.4 3,-0.3 1,-0.2 -2,-0.2 0.924 119.6 32.5 -63.2 -42.5 7.2 -6.2 -19.4 93 94 A T T >X S+ 0 0 22 -4,-2.8 3,-1.7 1,-0.2 4,-1.5 0.335 86.7 115.4 -94.5 6.8 6.5 -10.0 -19.3 94 95 A F H <> S+ 0 0 1 -3,-0.8 4,-2.7 -4,-0.4 3,-0.4 0.845 73.5 47.9 -49.4 -52.0 9.7 -11.1 -17.7 95 96 A Y H 34 S+ 0 0 83 -4,-0.3 -1,-0.3 -3,-0.3 -2,-0.1 0.686 111.1 53.5 -70.5 -13.2 8.3 -12.5 -14.4 96 97 A D H <4 S+ 0 0 137 -3,-1.7 -1,-0.2 2,-0.1 -2,-0.2 0.777 116.0 36.9 -89.8 -27.7 5.7 -14.5 -16.3 97 98 A Y H < S+ 0 0 109 -4,-1.5 -2,-0.2 -3,-0.4 -3,-0.1 0.758 133.1 26.6 -87.4 -28.9 8.3 -16.2 -18.6 98 99 A F >< + 0 0 9 -4,-2.7 3,-2.1 -5,-0.3 -1,-0.2 -0.616 69.2 170.7-133.6 71.6 11.0 -16.6 -16.0 99 100 A P T 3 S+ 0 0 99 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.666 77.5 49.7 -67.5 -16.4 9.2 -16.7 -12.6 100 101 A D T 3 S+ 0 0 76 2,-0.0 -25,-0.4 -26,-0.0 2,-0.2 0.266 102.4 76.4-103.1 12.8 12.3 -17.7 -10.6 101 102 A A < - 0 0 1 -3,-2.1 2,-0.3 -7,-0.1 -25,-0.2 -0.547 67.9-136.1-111.4 177.6 14.6 -15.0 -12.0 102 103 A H E -e 76 0A 60 -27,-2.6 -25,-2.6 -2,-0.2 2,-0.6 -0.986 17.2-120.7-132.6 147.9 14.9 -11.2 -11.4 103 104 A L E > -e 77 0A 11 -2,-0.3 3,-1.7 -27,-0.2 4,-0.3 -0.794 25.5-145.4 -76.6 122.9 15.3 -8.1 -13.4 104 105 A G T >> S+ 0 0 0 -27,-3.4 4,-2.5 -2,-0.6 3,-2.2 0.828 95.1 69.6 -61.5 -30.1 18.5 -6.7 -12.2 105 106 A Y H 3> S+ 0 0 23 -28,-0.5 4,-2.2 1,-0.3 -1,-0.3 0.743 81.6 73.5 -61.5 -23.7 17.2 -3.2 -12.6 106 107 A D H <4 S+ 0 0 48 -3,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.796 113.9 26.5 -56.0 -28.0 14.8 -3.9 -9.7 107 108 A F H X4 S+ 0 0 35 -3,-2.2 3,-1.3 -4,-0.3 4,-0.4 0.812 116.6 58.9-103.2 -43.2 17.9 -3.5 -7.6 108 109 A F H >< S+ 0 0 0 -4,-2.5 3,-2.0 1,-0.3 7,-0.3 0.893 101.8 57.0 -53.3 -45.3 20.1 -1.2 -9.7 109 110 A K T 3< S+ 0 0 104 -4,-2.2 -1,-0.3 1,-0.3 -3,-0.1 0.672 89.5 73.7 -68.5 -14.9 17.5 1.5 -9.7 110 111 A Q T < S+ 0 0 122 -3,-1.3 2,-1.1 1,-0.2 -1,-0.3 0.700 85.3 70.4 -67.6 -17.3 17.5 1.5 -5.9 111 112 A L <> + 0 0 10 -3,-2.0 4,-3.4 -4,-0.4 5,-0.2 -0.694 69.1 176.2 -96.6 80.7 20.9 3.3 -6.3 112 113 A K H > S+ 0 0 161 -2,-1.1 4,-3.1 1,-0.2 5,-0.2 0.916 74.7 49.1 -54.1 -51.6 19.4 6.5 -7.6 113 114 A D H > S+ 0 0 88 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.900 116.2 43.4 -57.8 -43.8 22.7 8.4 -7.8 114 115 A F H > S+ 0 0 0 2,-0.2 4,-3.1 1,-0.2 -1,-0.2 0.886 110.4 54.6 -73.0 -37.9 24.4 5.6 -9.6 115 116 A N H X S+ 0 0 23 -4,-3.4 4,-2.7 -7,-0.3 5,-0.2 0.970 112.5 45.3 -53.5 -50.8 21.4 5.0 -11.9 116 117 A A H X S+ 0 0 61 -4,-3.1 4,-2.2 -5,-0.2 5,-0.2 0.900 112.1 51.5 -60.5 -42.1 21.7 8.8 -12.8 117 118 A Y H X S+ 0 0 41 -4,-2.3 4,-1.9 -5,-0.2 5,-0.2 0.947 113.2 45.0 -58.2 -50.7 25.5 8.5 -13.2 118 119 A F H X S+ 0 0 1 -4,-3.1 4,-3.0 1,-0.2 5,-0.2 0.932 112.9 48.8 -59.4 -52.7 25.1 5.5 -15.6 119 120 A K H X S+ 0 0 26 -4,-2.7 4,-3.1 -5,-0.2 5,-0.4 0.911 110.7 50.0 -59.8 -44.9 22.3 6.9 -17.7 120 121 A F H X>S+ 0 0 101 -4,-2.2 4,-2.2 -5,-0.2 5,-0.7 0.951 115.5 42.3 -60.1 -50.8 24.0 10.3 -18.3 121 122 A H H X5S+ 0 0 42 -4,-1.9 6,-2.5 -5,-0.2 4,-1.0 0.896 119.5 44.9 -61.9 -43.5 27.3 8.7 -19.4 122 123 A E H X5S+ 0 0 6 -4,-3.0 4,-1.1 4,-0.3 -2,-0.2 0.974 120.0 37.4 -65.2 -55.6 25.5 6.1 -21.5 123 124 A I H <5S+ 0 0 88 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.926 129.9 26.0 -65.5 -47.4 23.0 8.3 -23.2 124 125 A Y H <5S+ 0 0 169 -4,-2.2 -3,-0.2 -5,-0.4 -1,-0.2 0.798 135.4 25.0 -95.2 -29.5 25.0 11.4 -23.8 125 126 A F H <> - 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0 0 17 1,-0.2 35,-0.2 34,-0.1 36,-0.1 0.741 60.2 -76.8 66.9 27.4 39.3 -3.9 -19.4 155 156 A Y T > - 0 0 55 4,-0.2 3,-0.6 1,-0.2 2,-0.3 0.908 67.1-169.0 52.5 48.9 39.4 -6.0 -22.6 156 157 A Q T < - 0 0 82 -3,-0.7 -1,-0.2 1,-0.2 -2,-0.0 -0.526 65.3 -0.4 -72.9 132.4 43.1 -5.4 -23.2 157 158 A N T 3 S- 0 0 152 -2,-0.3 -1,-0.2 2,-0.1 3,-0.2 0.959 139.3 -26.9 57.8 55.3 44.4 -6.5 -26.6 158 159 A G S < S- 0 0 10 -3,-0.6 23,-0.2 1,-0.2 22,-0.1 -0.381 98.8 -60.9 97.6 179.7 41.1 -7.7 -27.9 159 160 A S + 0 0 5 21,-2.5 -4,-0.2 -2,-0.1 -3,-0.2 0.830 69.8 177.6 -69.9 -29.8 38.1 -9.0 -25.8 160 161 A S - 0 0 42 20,-0.5 -4,-0.2 -3,-0.2 -5,-0.1 0.768 8.2-168.5 29.2 71.0 40.5 -11.8 -24.6 161 162 A Y - 0 0 50 2,-0.3 -152,-0.2 -152,-0.2 -1,-0.1 -0.296 37.6-102.1 -75.4 170.0 38.2 -13.6 -22.2 162 163 A A S S+ 0 0 4 -154,-2.7 -126,-0.3 -153,-0.2 2,-0.3 0.304 104.3 34.4 -77.4 9.8 39.6 -16.3 -19.9 163 164 A F S S- 0 0 24 -155,-0.2 2,-0.7 -128,-0.1 -2,-0.3 -0.943 99.8 -80.9-153.1 170.1 38.3 -19.0 -22.2 164 165 A D + 0 0 100 -130,-0.3 -2,-0.1 -2,-0.3 0, 0.0 -0.718 37.9 177.8 -82.2 115.7 37.7 -19.7 -25.9 165 166 A T + 0 0 14 -2,-0.7 2,-2.3 1,-0.1 -1,-0.1 0.481 53.0 102.6 -96.3 -6.4 34.4 -18.0 -26.9 166 167 A K + 0 0 94 4,-0.1 2,-0.4 12,-0.1 -1,-0.1 -0.480 51.3 145.9 -78.5 73.9 34.7 -19.0 -30.6 167 168 A Q > - 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