==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 01-DEC-03 1RO7 . COMPND 2 MOLECULE: ALPHA-2,3/8-SIALYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CAMPYLOBACTER JEJUNI; . AUTHOR C.P.CHIU,A.G.WATTS,L.L.LAIRSON,M.GILBERT,D.LIM, . 976 10 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 41640.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 658 67.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 128 13.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 11 1.1 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 . 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 . 79 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 131 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 260 26.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 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 5 1 4 4 0 0 3 2 2 4 5 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 4 5 10 1 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 PARALLEL BRIDGES PER LADDER . 1 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 0 ANTIPARALLEL BRIDGES PER LADDER . 3 0 0 0 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 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 X 0 0 171 0, 0.0 145,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 107.6 12.7 10.4 35.0 2 2 A K - 0 0 67 1,-0.1 144,-0.3 143,-0.1 145,-0.3 -0.018 360.0 -92.2 -58.8 171.3 16.5 10.8 34.6 3 3 A K E -a 25 0A 70 21,-1.7 23,-3.0 142,-0.1 2,-0.4 -0.399 43.5-139.7 -79.8 166.9 17.9 11.8 31.2 4 4 A V E -ab 26 148A 0 143,-2.0 145,-2.8 21,-0.3 2,-0.7 -0.988 11.5-152.3-140.2 132.4 18.9 8.9 28.9 5 5 A I E -ab 27 149A 0 21,-3.4 23,-2.6 -2,-0.4 2,-0.6 -0.888 15.8-164.4-100.5 112.9 21.8 8.4 26.5 6 6 A I E -ab 28 150A 0 143,-2.4 145,-1.6 -2,-0.7 2,-0.5 -0.882 11.3-167.3 -99.9 120.7 20.7 6.0 23.7 7 7 A A E - b 0 151A 0 21,-2.3 23,-0.4 -2,-0.6 145,-0.3 -0.933 15.6-169.7-121.0 126.7 23.7 4.7 21.9 8 8 A G - 0 0 8 143,-3.0 145,-0.2 -2,-0.5 22,-0.1 -0.187 37.2-112.4 -86.6-170.0 24.0 2.8 18.6 9 9 A N + 0 0 14 143,-0.2 154,-2.2 -2,-0.1 155,-0.2 0.148 67.6 130.0-116.9 21.9 27.3 1.3 17.7 10 10 A G S > S- 0 0 11 142,-2.9 3,-2.1 152,-0.2 4,-0.3 -0.148 78.3 -92.9 -66.5 168.6 28.4 3.4 14.8 11 11 A P G > S+ 0 0 31 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 0.672 119.0 74.4 -58.7 -17.1 31.9 5.0 14.7 12 12 A S G > S+ 0 0 4 1,-0.3 3,-1.4 2,-0.2 202,-0.1 0.636 77.2 76.6 -72.1 -12.4 30.5 8.1 16.3 13 13 A L G < S+ 0 0 0 -3,-2.1 3,-0.5 1,-0.3 -1,-0.3 0.815 94.2 50.8 -65.4 -29.1 30.3 6.3 19.6 14 14 A K G < S+ 0 0 103 -3,-1.2 -1,-0.3 -4,-0.3 -2,-0.2 0.377 107.3 56.4 -87.9 1.7 34.1 6.7 19.8 15 15 A E < + 0 0 99 -3,-1.4 199,-0.4 -4,-0.1 2,-0.4 -0.271 69.4 151.2-129.4 47.8 33.8 10.4 19.1 16 16 A I - 0 0 11 -3,-0.5 2,-1.5 196,-0.1 196,-0.2 -0.648 47.2-132.3 -81.8 132.6 31.5 11.7 21.9 17 17 A D > - 0 0 45 194,-2.6 3,-2.4 -2,-0.4 4,-0.3 -0.695 22.2-168.2 -83.9 91.2 32.1 15.3 22.9 18 18 A Y T 3 S+ 0 0 37 -2,-1.5 3,-0.3 1,-0.3 211,-0.2 0.516 76.4 77.1 -61.5 -3.8 32.0 14.6 26.7 19 19 A S T 3 S+ 0 0 26 1,-0.2 209,-1.2 209,-0.1 210,-1.1 0.700 98.6 44.8 -77.9 -17.9 31.8 18.3 27.4 20 20 A R S < S+ 0 0 51 -3,-2.4 -1,-0.2 206,-0.3 -2,-0.2 0.417 83.2 128.8-101.7 -3.0 28.1 18.0 26.4 21 21 A L - 0 0 5 -3,-0.3 208,-0.0 -4,-0.3 -3,-0.0 -0.366 59.7-124.6 -58.8 120.3 27.6 14.9 28.5 22 22 A P - 0 0 6 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.035 13.8-122.8 -59.2 172.8 24.6 15.3 30.7 23 23 A N S S+ 0 0 143 1,-0.3 2,-0.8 206,-0.0 -2,-0.0 0.904 89.1 24.6 -83.0 -91.9 24.7 14.9 34.5 24 24 A D S S+ 0 0 88 -20,-0.0 -21,-1.7 2,-0.0 2,-0.3 -0.697 86.8 147.8 -81.1 111.9 22.2 12.3 35.9 25 25 A F E -a 3 0A 36 -2,-0.8 -21,-0.3 -23,-0.2 2,-0.2 -0.988 41.9-135.5-148.9 156.7 21.4 9.9 33.1 26 26 A D E -a 4 0A 8 -23,-3.0 -21,-3.4 -2,-0.3 2,-0.4 -0.682 24.9-134.1-103.9 162.3 20.6 6.4 32.2 27 27 A V E -a 5 0A 7 -2,-0.2 19,-2.8 -23,-0.2 20,-1.7 -0.975 11.9-165.2-126.2 132.8 22.2 4.4 29.3 28 28 A F E +ac 6 47A 0 -23,-2.6 -21,-2.3 -2,-0.4 2,-0.3 -0.969 16.1 179.1-113.5 122.5 20.5 2.2 26.7 29 29 A R E - c 0 48A 1 18,-2.3 20,-2.2 -2,-0.5 2,-0.3 -0.796 7.4-157.3-118.9 163.6 22.9 -0.0 24.7 30 30 A C E > - c 0 49A 6 -23,-0.4 3,-0.9 -2,-0.3 20,-0.2 -0.964 42.0 -30.8-143.4 159.5 22.1 -2.5 21.9 31 31 A N T 3 S+ 0 0 28 18,-2.5 2,-0.6 -2,-0.3 3,-0.5 0.003 124.7 7.3 40.4-118.0 23.4 -5.6 20.2 32 32 A Q T > S+ 0 0 12 1,-0.2 3,-1.7 2,-0.1 -1,-0.2 -0.141 82.7 131.9 -88.3 44.4 27.2 -5.8 20.1 33 33 A F G X + 0 0 0 -3,-0.9 3,-1.9 -2,-0.6 -1,-0.2 0.858 64.7 65.6 -60.6 -35.6 27.8 -2.9 22.4 34 34 A Y G 3 S+ 0 0 0 -3,-0.5 -1,-0.3 1,-0.3 -2,-0.1 0.521 80.6 79.9 -66.8 -4.4 30.2 -4.9 24.5 35 35 A F G < + 0 0 3 -3,-1.7 130,-0.3 206,-0.1 -1,-0.3 0.631 67.9 115.2 -75.7 -13.8 32.6 -5.1 21.5 36 36 A E < - 0 0 0 -3,-1.9 128,-0.1 -4,-0.2 3,-0.0 -0.263 63.8-146.4 -57.2 142.2 33.7 -1.5 22.4 37 37 A D S S+ 0 0 57 126,-0.5 199,-1.2 1,-0.1 2,-0.3 0.524 83.3 35.2 -89.2 -6.6 37.3 -1.4 23.5 38 38 A K E S-H 235 0B 61 197,-0.2 2,-2.5 4,-0.0 197,-0.2 -0.980 91.8-106.9-142.7 150.9 36.7 1.4 26.0 39 39 A Y E > +H 234 0B 13 195,-2.6 3,-1.6 -2,-0.3 195,-0.5 -0.447 43.5 174.1 -79.0 70.1 33.7 2.1 28.3 40 40 A Y T 3 S+ 0 0 12 -2,-2.5 -1,-0.2 1,-0.3 3,-0.1 0.669 83.6 19.0 -51.3 -19.5 32.6 5.0 26.2 41 41 A L T 3 S- 0 0 4 1,-0.4 -1,-0.3 -3,-0.2 3,-0.1 0.142 119.7 -96.2-140.2 21.2 29.5 5.3 28.4 42 42 A G < - 0 0 21 -3,-1.6 -1,-0.4 1,-0.1 -2,-0.1 -0.127 37.4 -83.2 88.0 172.5 30.4 3.4 31.5 43 43 A K S S+ 0 0 76 -4,-0.1 29,-2.0 28,-0.1 2,-0.5 0.657 100.2 89.0 -89.3 -20.0 29.8 -0.2 32.7 44 44 A K E - d 0 72A 104 27,-0.2 2,-0.4 -3,-0.1 29,-0.2 -0.721 54.9-174.7 -90.0 122.0 26.3 0.5 34.0 45 45 A C E - d 0 73A 2 27,-2.9 29,-1.3 -2,-0.5 -17,-0.2 -0.910 23.8-157.4-114.0 140.5 23.3 0.2 31.6 46 46 A K E S- 0 0 38 -19,-2.8 29,-2.4 -2,-0.4 2,-0.3 0.890 85.9 -6.5 -77.6 -42.0 19.7 1.0 32.3 47 47 A A E -cd 28 75A 0 -20,-1.7 -18,-2.3 27,-0.2 2,-0.4 -0.994 59.0-152.9-154.1 147.4 18.7 -1.4 29.5 48 48 A V E -cd 29 76A 0 27,-1.6 29,-3.1 -2,-0.3 2,-0.4 -0.963 17.0-149.6-121.4 138.4 20.3 -3.4 26.8 49 49 A F E -cd 30 77A 0 -20,-2.2 -18,-2.5 -2,-0.4 2,-0.4 -0.924 13.7-177.8-113.7 136.3 18.4 -4.3 23.6 50 50 A Y E - d 0 78A 0 27,-2.5 29,-2.6 -2,-0.4 5,-0.1 -0.981 27.6-115.4-132.5 143.2 18.8 -7.4 21.5 51 51 A N >> - 0 0 56 -2,-0.4 3,-1.2 27,-0.2 4,-0.6 -0.421 27.0-118.4 -74.7 149.9 17.2 -8.5 18.2 52 52 A P G >4 S+ 0 0 19 0, 0.0 3,-1.0 0, 0.0 4,-0.5 0.870 109.1 66.2 -52.3 -41.6 14.9 -11.6 18.2 53 53 A S G 34 S+ 0 0 74 1,-0.3 4,-0.1 33,-0.2 34,-0.0 0.773 119.6 18.7 -54.2 -33.3 17.2 -13.3 15.7 54 54 A L G <> S+ 0 0 20 -3,-1.2 4,-2.9 2,-0.1 -1,-0.3 0.173 89.5 112.6-124.7 15.9 20.1 -13.6 18.2 55 55 A F H S+ 0 0 5 -4,-0.5 4,-1.4 1,-0.2 -1,-0.2 0.926 115.7 36.6 -51.0 -49.5 19.0 -16.6 22.7 57 57 A E H > S+ 0 0 12 2,-0.2 4,-2.3 1,-0.2 187,-0.4 0.853 115.5 53.2 -75.6 -35.9 22.7 -16.1 22.2 58 58 A Q H X S+ 0 0 2 -4,-2.9 4,-2.7 2,-0.2 -2,-0.2 0.862 107.6 51.8 -67.9 -35.8 22.8 -12.5 23.4 59 59 A Y H X S+ 0 0 1 -4,-2.8 4,-2.1 -5,-0.3 -1,-0.2 0.940 110.7 48.6 -64.1 -46.4 21.0 -13.4 26.6 60 60 A Y H X S+ 0 0 28 -4,-1.4 4,-1.1 -5,-0.3 -2,-0.2 0.919 113.6 46.7 -57.0 -46.8 23.6 -16.1 27.2 61 61 A T H X S+ 0 0 0 -4,-2.3 4,-2.1 183,-0.3 3,-0.3 0.896 107.9 56.7 -65.7 -40.2 26.4 -13.7 26.5 62 62 A L H X S+ 0 0 1 -4,-2.7 4,-2.6 1,-0.2 5,-0.2 0.903 102.2 54.7 -58.9 -44.2 24.9 -11.0 28.7 63 63 A K H X S+ 0 0 42 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.848 109.5 49.0 -59.4 -33.0 24.9 -13.3 31.7 64 64 A H H X S+ 0 0 58 -4,-1.1 4,-2.2 -3,-0.3 -1,-0.2 0.886 108.8 51.7 -73.8 -38.2 28.6 -13.9 31.2 65 65 A L H <>S+ 0 0 0 -4,-2.1 5,-2.8 2,-0.2 6,-1.0 0.896 114.1 44.5 -63.1 -40.5 29.3 -10.1 30.9 66 66 A I H ><5S+ 0 0 62 -4,-2.6 3,-1.6 3,-0.2 -2,-0.2 0.925 113.1 48.6 -69.5 -47.1 27.4 -9.6 34.2 67 67 A Q H 3<5S+ 0 0 159 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.848 112.4 50.0 -61.1 -35.3 29.1 -12.5 36.0 68 68 A N T 3<5S- 0 0 100 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.345 112.7-123.5 -86.2 5.7 32.5 -11.3 34.8 69 69 A Q T < 5S+ 0 0 161 -3,-1.6 -3,-0.2 2,-0.2 -2,-0.1 0.762 75.2 125.3 57.1 31.3 31.6 -7.8 36.0 70 70 A E S > - 0 0 2 1,-0.1 3,-1.8 514,-0.0 4,-1.4 -0.996 52.5-144.9-127.1 121.9 5.5 -9.4 12.9 84 84 A A T 34 S+ 0 0 30 -2,-0.4 5,-0.1 1,-0.3 -1,-0.1 0.812 101.1 53.4 -56.9 -33.4 5.6 -13.0 11.5 85 85 A H T 34 S+ 0 0 54 655,-0.2 -1,-0.3 1,-0.2 3,-0.1 0.565 114.1 43.2 -81.1 -4.3 8.3 -12.1 9.0 86 86 A L T <4 S+ 0 0 38 -3,-1.8 2,-0.3 1,-0.3 -33,-0.2 0.601 118.7 16.7-114.1 -15.5 10.5 -10.6 11.7 87 87 A E S < S- 0 0 18 -4,-1.4 2,-0.4 -35,-0.1 -1,-0.3 -0.998 78.7 -93.5-158.5 156.4 10.4 -13.0 14.6 88 88 A N > - 0 0 54 -2,-0.3 4,-1.7 169,-0.2 5,-0.2 -0.576 30.1-144.8 -74.3 126.3 9.5 -16.5 15.7 89 89 A E H > S+ 0 0 106 -2,-0.4 4,-2.4 1,-0.2 -1,-0.1 0.877 98.4 48.0 -58.8 -44.3 5.9 -16.6 17.0 90 90 A N H > S+ 0 0 70 166,-0.3 4,-2.8 2,-0.2 -1,-0.2 0.876 106.0 58.9 -66.1 -38.8 6.5 -19.3 19.7 91 91 A F H 4 S+ 0 0 5 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.925 111.5 41.2 -54.5 -46.9 9.6 -17.3 20.9 92 92 A V H >< S+ 0 0 24 -4,-1.7 3,-0.6 2,-0.2 4,-0.3 0.919 113.5 53.4 -68.9 -43.0 7.4 -14.3 21.6 93 93 A K H 3< S+ 0 0 156 -4,-2.4 3,-0.3 1,-0.2 -2,-0.2 0.907 120.4 30.6 -58.8 -46.2 4.5 -16.4 23.0 94 94 A T T >X S+ 0 0 21 -4,-2.8 3,-1.9 1,-0.2 4,-1.3 0.340 87.1 116.6 -96.9 5.8 6.7 -18.2 25.6 95 95 A F H X> S+ 0 0 0 -3,-0.6 4,-2.5 -4,-0.5 3,-0.7 0.840 72.7 49.1 -41.9 -54.8 9.2 -15.4 26.1 96 96 A Y H 34 S+ 0 0 79 -4,-0.3 -1,-0.3 -3,-0.3 -2,-0.1 0.641 110.0 52.9 -67.7 -13.2 8.5 -14.6 29.7 97 97 A D H <4 S+ 0 0 35 -3,-1.9 -1,-0.2 2,-0.1 -2,-0.2 0.722 115.5 38.6 -92.4 -22.9 8.8 -18.3 30.7 98 98 A Y H << S+ 0 0 6 -4,-1.3 -2,-0.2 -3,-0.7 -3,-0.1 0.749 132.8 25.1 -94.3 -28.0 12.2 -18.8 29.0 99 99 A F S >< S+ 0 0 0 -4,-2.5 3,-2.1 -5,-0.3 -1,-0.2 -0.604 70.8 172.1-136.0 71.2 13.7 -15.3 30.0 100 100 A P T 3 S+ 0 0 9 0, 0.0 -1,-0.1 0, 0.0 276,-0.1 0.690 78.4 49.3 -54.7 -26.2 11.7 -14.4 33.2 101 101 A D T 3 S+ 0 0 32 272,-0.1 -25,-0.3 274,-0.1 2,-0.2 0.270 101.8 78.5-100.8 11.6 13.9 -11.3 33.9 102 102 A A < - 0 0 1 -3,-2.1 2,-0.3 -7,-0.1 -25,-0.2 -0.580 67.0-137.7-111.3 175.2 13.7 -9.9 30.4 103 103 A H E -e 77 0A 60 -27,-3.0 -25,-2.1 -2,-0.2 2,-0.6 -0.977 16.9-120.8-135.8 150.3 11.1 -7.9 28.5 104 104 A L E > -e 78 0A 10 -2,-0.3 3,-1.8 -27,-0.2 4,-0.4 -0.806 23.5-144.5 -86.3 119.8 9.6 -7.9 25.0 105 105 A G T >> S+ 0 0 0 -27,-3.1 4,-2.8 -2,-0.6 3,-1.4 0.781 96.2 67.5 -56.9 -27.0 10.3 -4.4 23.7 106 106 A Y H 3> S+ 0 0 1 -28,-0.4 4,-2.4 1,-0.3 -1,-0.3 0.752 83.0 72.0 -66.1 -24.8 7.0 -4.5 21.9 107 107 A D H <4 S+ 0 0 51 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.803 115.1 26.0 -59.4 -27.1 5.2 -4.4 25.2 108 108 A F H X4 S+ 0 0 36 -3,-1.4 3,-1.9 -4,-0.4 4,-0.4 0.809 116.0 60.3-102.4 -42.3 6.3 -0.8 25.3 109 109 A F H >< S+ 0 0 0 -4,-2.8 3,-1.6 1,-0.3 7,-0.2 0.882 101.7 56.6 -53.4 -41.8 6.7 0.0 21.7 110 110 A K T 3< S+ 0 0 98 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.1 0.586 88.3 75.5 -71.1 -8.6 3.0 -0.7 21.1 111 111 A Q T < S+ 0 0 118 -3,-1.9 2,-1.2 1,-0.2 -1,-0.3 0.735 85.1 68.5 -73.1 -20.7 2.1 1.9 23.8 112 112 A L S <> S+ 0 0 11 -3,-1.6 4,-2.5 -4,-0.4 5,-0.2 -0.696 70.2 177.8 -96.9 79.9 3.0 4.5 21.1 113 113 A K H > S+ 0 0 114 -2,-1.2 4,-2.7 1,-0.2 5,-0.2 0.887 73.9 50.5 -51.9 -49.0 0.0 3.7 18.8 114 114 A D H > S+ 0 0 78 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.889 114.2 43.9 -60.8 -40.7 0.8 6.4 16.3 115 115 A F H > S+ 0 0 0 -3,-0.2 4,-3.5 2,-0.2 -1,-0.2 0.867 112.1 52.7 -72.6 -35.6 4.4 5.4 15.9 116 116 A N H X S+ 0 0 6 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.917 112.4 45.8 -64.8 -41.3 3.5 1.7 15.8 117 117 A A H X S+ 0 0 7 -4,-2.7 4,-2.2 -5,-0.2 -2,-0.2 0.928 114.5 49.1 -65.2 -42.9 1.1 2.5 13.0 118 118 A Y H X S+ 0 0 51 -4,-2.3 4,-1.8 -5,-0.2 -2,-0.2 0.935 113.8 45.2 -60.3 -50.3 3.7 4.6 11.3 119 119 A F H X S+ 0 0 3 -4,-3.5 4,-2.5 1,-0.2 5,-0.2 0.945 113.4 49.1 -59.9 -51.7 6.4 1.9 11.6 120 120 A K H X S+ 0 0 0 -4,-2.6 4,-2.7 -5,-0.2 5,-0.4 0.872 108.8 52.2 -58.6 -42.2 4.1 -0.9 10.4 121 121 A F H X>S+ 0 0 26 -4,-2.2 4,-2.2 -5,-0.2 5,-0.6 0.959 114.4 41.3 -61.7 -51.3 2.8 0.9 7.4 122 122 A H H X5S+ 0 0 43 -4,-1.8 6,-2.4 -5,-0.2 4,-1.2 0.861 118.7 46.4 -65.8 -37.0 6.3 1.8 6.0 123 123 A E H X5S+ 0 0 0 -4,-2.5 4,-1.1 4,-0.3 -2,-0.2 0.961 118.0 39.5 -70.1 -52.2 7.8 -1.6 6.9 124 124 A I H <5S+ 0 0 1 -4,-2.7 616,-0.2 -5,-0.2 -2,-0.2 0.929 129.5 26.5 -64.3 -49.9 5.0 -3.8 5.5 125 125 A Y H <5S+ 0 0 2 -4,-2.2 609,-0.5 -5,-0.4 612,-0.2 0.780 136.1 23.7 -89.9 -28.3 4.2 -1.8 2.3 126 126 A F H <> - 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0 0 0 -2,-0.3 2,-0.3 -67,-0.1 -65,-0.1 -0.428 40.7-122.6 -72.8 148.6 -34.9 -33.1 15.6 971 244 D L - 0 0 48 -169,-0.4 -165,-0.3 -2,-0.1 -166,-0.1 -0.692 15.4-137.0 -94.6 149.1 -34.3 -31.1 12.5 972 245 D I - 0 0 58 -2,-0.3 3,-0.1 -167,-0.1 -170,-0.0 -0.913 17.3-132.1-110.0 119.3 -31.4 -31.6 10.1 973 246 D P - 0 0 7 0, 0.0 -348,-0.1 0, 0.0 -349,-0.1 -0.083 34.9 -87.3 -61.1 165.1 -29.5 -28.6 8.8 974 247 D S > - 0 0 50 -350,-0.4 4,-2.4 1,-0.1 3,-0.3 -0.296 34.5-111.9 -71.1 157.8 -28.6 -28.2 5.1 975 248 D S H > S+ 0 0 110 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.862 121.5 56.6 -59.3 -33.4 -25.4 -29.7 3.7 976 249 D E H > S+ 0 0 105 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.897 106.0 49.7 -64.6 -39.5 -24.2 -26.1 3.2 977 250 D A H >> S+ 0 0 1 -3,-0.3 4,-1.4 -353,-0.2 3,-0.5 0.941 111.1 49.1 -63.5 -47.9 -24.7 -25.5 6.9 978 251 D Y H 3X S+ 0 0 60 -4,-2.4 4,-1.4 1,-0.2 3,-0.4 0.900 105.2 58.0 -58.7 -42.3 -22.8 -28.6 7.8 979 252 D G H 3< S+ 0 0 48 -4,-2.5 4,-0.3 1,-0.2 -1,-0.2 0.847 107.6 48.3 -57.7 -32.9 -20.0 -27.6 5.6 980 253 D K H << S+ 0 0 25 -4,-1.3 -1,-0.2 -3,-0.5 -2,-0.2 0.796 119.7 35.9 -77.6 -29.5 -19.6 -24.4 7.5 981 254 D F H >< S+ 0 0 3 -4,-1.4 3,-2.3 -3,-0.4 4,-0.2 0.377 85.1 109.8-104.1 1.4 -19.7 -26.1 11.0 982 255 D S G >< S+ 0 0 75 -4,-1.4 3,-1.6 1,-0.3 -1,-0.1 0.809 71.7 58.4 -45.7 -43.6 -17.7 -29.2 9.9 983 256 D K G 3 S+ 0 0 85 1,-0.3 -1,-0.3 -4,-0.3 -148,-0.3 0.682 104.5 52.7 -65.7 -17.8 -14.6 -28.3 11.8 984 257 D N G < 0 0 4 -3,-2.3 -1,-0.3 -149,-0.1 -151,-0.2 0.302 360.0 360.0-101.4 9.4 -16.6 -28.2 15.0 985 258 D I < 0 0 106 -3,-1.6 -2,-0.2 -4,-0.2 -3,-0.1 0.734 360.0 360.0-121.2 360.0 -18.1 -31.7 14.7