==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 30-SEP-03 1UMF . COMPND 2 MOLECULE: CHORISMATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HELICOBACTER PYLORI; . AUTHOR H.J.AHN,H.J.YOON,B.LEE,S.W.SUH . 1460 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 53098.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1003 68.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 1.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 283 19.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 7 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 15 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 . 3 0.2 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 . 123 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 146 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 356 24.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 1.2 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 4 1 3 0 7 1 5 2 1 0 0 0 4 0 0 1 0 3 2 2 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 8 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 PARALLEL BRIDGES PER LADDER . 18 17 3 8 6 4 4 0 4 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 . 9 3 0 4 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 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 36 0, 0.0 1323,-3.1 0, 0.0 1324,-0.3 0.000 360.0 360.0 360.0 115.6 41.7 32.8 20.3 2 2 A N + 0 0 2 1321,-0.2 10,-2.4 1320,-0.1 2,-0.4 0.217 360.0 89.1-101.9 16.6 44.0 33.1 23.3 3 3 A T E -A 11 0A 13 8,-0.2 2,-0.4 2,-0.0 8,-0.2 -0.958 51.8-167.4-123.5 129.7 47.3 32.5 21.5 4 4 A L E +A 10 0A 14 6,-2.8 6,-3.0 -2,-0.4 2,-0.1 -0.931 54.7 31.6-110.7 131.6 49.6 35.0 19.8 5 5 A G - 0 0 36 -2,-0.4 4,-0.1 4,-0.2 337,-0.1 -0.140 64.3-119.4 108.2 156.6 52.4 33.7 17.5 6 6 A R S S- 0 0 64 2,-0.2 3,-0.2 -2,-0.1 -1,-0.1 0.824 103.8 -5.7-100.2 -47.0 53.1 30.8 15.1 7 7 A F S S+ 0 0 26 1,-0.3 2,-1.3 726,-0.0 338,-0.1 0.696 133.4 56.1-117.1 -40.0 56.1 29.2 16.8 8 8 A L S S- 0 0 4 333,-0.1 2,-0.6 334,-0.1 -1,-0.3 -0.841 88.1-170.3 -90.6 97.7 57.0 31.5 19.7 9 9 A R E - B 0 26A 10 17,-1.9 17,-2.4 -2,-1.3 2,-0.6 -0.849 20.1-165.4-106.4 116.3 53.5 31.1 21.0 10 10 A L E -AB 4 25A 0 -6,-3.0 -6,-2.8 -2,-0.6 2,-0.4 -0.832 11.1-173.2 -95.0 123.6 52.1 33.2 23.9 11 11 A T E -AB 3 24A 1 13,-2.6 13,-2.1 -2,-0.6 2,-0.3 -0.967 6.6-154.4-120.7 134.7 48.9 31.8 25.4 12 12 A T E - B 0 23A 0 -10,-2.4 11,-0.2 -2,-0.4 3,-0.1 -0.729 27.6-131.6-110.7 155.6 46.9 33.7 28.0 13 13 A F - 0 0 0 9,-2.0 799,-0.5 -2,-0.3 10,-0.1 0.528 59.9-141.1 -75.0 -4.7 44.5 32.7 30.8 14 14 A G - 0 0 1 8,-0.3 -1,-0.2 -12,-0.1 8,-0.2 -0.074 45.3 -8.3 74.8-175.4 42.3 35.4 29.3 15 15 A E S S+ 0 0 25 -3,-0.1 785,-0.6 784,-0.1 2,-0.3 -0.326 74.0 159.2 -59.0 127.0 40.1 38.0 30.9 16 16 A S - 0 0 5 107,-0.3 111,-0.1 783,-0.1 783,-0.1 -0.956 41.3-152.1-146.8 162.2 39.7 37.4 34.6 17 17 A H + 0 0 73 -2,-0.3 2,-0.1 781,-0.2 782,-0.1 -0.062 65.4 102.7-127.0 30.7 38.7 39.3 37.7 18 18 A G S S- 0 0 30 780,-0.3 -2,-0.1 2,-0.3 780,-0.1 -0.388 86.1 -99.9-103.0-175.7 40.7 37.3 40.2 19 19 A D S S+ 0 0 75 -2,-0.1 66,-2.3 66,-0.1 2,-0.4 0.517 101.9 61.4 -84.5 -5.4 44.0 38.0 42.0 20 20 A V E - C 0 84A 9 64,-0.2 2,-0.4 778,-0.2 -2,-0.3 -0.978 54.9-179.1-130.5 132.7 46.0 35.9 39.6 21 21 A I E - C 0 83A 1 62,-2.4 62,-3.0 -2,-0.4 2,-0.3 -0.986 15.0-168.6-125.3 135.3 46.6 36.1 35.9 22 22 A G E + C 0 82A 0 -2,-0.4 -9,-2.0 60,-0.2 2,-0.3 -0.770 11.9 171.9-123.6 169.2 48.7 33.6 34.0 23 23 A G E -BC 12 81A 0 58,-2.1 58,-2.8 -2,-0.3 2,-0.4 -0.977 17.5-143.0-163.8 164.1 50.4 33.0 30.7 24 24 A V E -BC 11 80A 0 -13,-2.1 -13,-2.6 -2,-0.3 2,-0.6 -0.984 3.2-158.6-143.1 129.7 52.8 30.7 28.9 25 25 A L E -BC 10 79A 0 54,-2.3 54,-2.7 -2,-0.4 2,-0.3 -0.927 19.6-178.6-108.4 114.6 55.4 31.4 26.3 26 26 A D E +B 9 0A 14 -17,-2.4 -17,-1.9 -2,-0.6 51,-0.1 -0.800 54.7 48.9-112.6 155.8 56.4 28.4 24.2 27 27 A G + 0 0 8 1,-0.3 -1,-0.2 -2,-0.3 -19,-0.1 0.430 65.1 147.0 99.9 -0.6 58.9 28.1 21.5 28 28 A M - 0 0 2 -3,-0.3 -1,-0.3 49,-0.2 693,-0.1 -0.537 51.1-122.3 -69.5 128.2 61.8 29.8 23.3 29 29 A P > - 0 0 1 0, 0.0 3,-0.5 0, 0.0 47,-0.3 -0.341 32.4-106.4 -65.8 158.0 65.0 28.2 22.2 30 30 A S B 3 S+e 720 0B 3 689,-2.8 691,-2.5 45,-0.3 692,-0.2 -0.403 94.6 45.4 -82.8 162.9 67.1 26.7 25.1 31 31 A G T 3 S+ 0 0 30 43,-2.5 2,-0.6 1,-0.3 -1,-0.2 0.540 70.6 136.2 85.9 6.3 70.2 28.2 26.5 32 32 A I < - 0 0 0 -3,-0.5 42,-2.2 42,-0.2 -1,-0.3 -0.786 56.9-123.8 -89.4 123.6 69.0 31.8 26.7 33 33 A K B -F 73 0C 135 -2,-0.6 2,-0.9 40,-0.2 40,-0.3 -0.470 22.8-122.7 -67.8 133.3 70.0 33.4 30.0 34 34 A I - 0 0 6 38,-2.7 2,-1.4 -2,-0.2 3,-0.1 -0.675 18.4-153.3 -82.7 108.4 67.0 34.7 31.9 35 35 A D > + 0 0 44 -2,-0.9 4,-2.2 1,-0.2 5,-0.2 -0.651 16.7 178.0 -82.8 91.4 67.6 38.4 32.5 36 36 A Y H > S+ 0 0 102 -2,-1.4 4,-2.7 1,-0.2 -1,-0.2 0.836 79.0 56.7 -63.8 -34.1 65.5 39.0 35.7 37 37 A A H > S+ 0 0 69 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.921 108.2 47.3 -63.6 -44.6 66.5 42.7 35.9 38 38 A L H > S+ 0 0 28 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.965 112.6 48.5 -59.8 -54.2 65.1 43.3 32.3 39 39 A L H X S+ 0 0 7 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.940 113.8 47.6 -50.5 -52.3 61.9 41.5 33.1 40 40 A E H X S+ 0 0 99 -4,-2.7 4,-1.7 1,-0.2 -1,-0.2 0.891 111.4 49.7 -59.0 -42.8 61.5 43.4 36.3 41 41 A N H X S+ 0 0 78 -4,-2.6 4,-2.8 1,-0.2 -1,-0.2 0.876 107.8 54.8 -66.5 -36.0 62.3 46.8 34.6 42 42 A E H X S+ 0 0 3 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.914 106.9 50.0 -63.0 -43.0 59.7 46.0 31.9 43 43 A M H X S+ 0 0 7 -4,-2.0 4,-0.7 -5,-0.2 -1,-0.2 0.883 111.5 49.9 -63.8 -36.5 57.0 45.4 34.4 44 44 A K H ><>S+ 0 0 68 -4,-1.7 3,-1.3 1,-0.2 5,-0.7 0.958 109.2 51.0 -65.4 -51.0 57.9 48.7 36.1 45 45 A R H ><5S+ 0 0 24 -4,-2.8 3,-0.9 1,-0.3 4,-0.4 0.872 99.9 64.4 -53.3 -42.6 57.8 50.6 32.7 46 46 A R H 3<5S+ 0 0 8 -4,-2.2 2,-0.4 1,-0.3 -1,-0.3 0.795 87.7 70.7 -54.3 -30.2 54.4 49.2 31.9 47 47 A Q T <<5S- 0 0 55 -3,-1.3 -1,-0.3 -4,-0.7 3,-0.2 0.020 115.2-113.4 -79.6 33.1 53.0 51.1 34.9 48 48 A G T < 5 - 0 0 10 -3,-0.9 -2,-0.2 -2,-0.4 -3,-0.1 0.769 37.9-146.3 39.8 38.0 53.5 54.3 32.9 49 49 A G < + 0 0 25 -5,-0.7 127,-0.2 -4,-0.4 -1,-0.2 0.001 34.4 155.8 -35.6 117.6 56.2 55.4 35.5 50 50 A R - 0 0 111 2,-0.3 2,-0.5 -3,-0.2 -1,-0.1 0.042 47.0 -1.9-119.0-133.1 56.0 59.1 35.8 51 51 A N S S- 0 0 108 123,-0.1 -1,-0.2 -2,-0.1 122,-0.0 -0.528 117.5 -16.9 -70.4 115.5 57.0 61.7 38.4 52 52 A V + 0 0 123 -2,-0.5 -2,-0.3 1,-0.1 2,-0.3 0.580 69.0 174.4 63.0 141.1 58.3 60.0 41.6 53 53 A F - 0 0 117 -4,-0.1 2,-0.3 0, 0.0 -1,-0.1 -0.903 22.0-128.6-174.3 145.8 57.9 56.3 42.4 54 54 A I - 0 0 107 -2,-0.3 5,-0.0 1,-0.2 0, 0.0 -0.698 57.2 -53.8-104.3 157.1 59.0 53.7 45.0 55 55 A T > - 0 0 79 -2,-0.3 4,-1.3 1,-0.2 3,-0.2 0.107 43.4-144.8 -28.1 109.1 60.6 50.2 44.5 56 56 A P H > S+ 0 0 30 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.548 80.5 97.1 -59.2 -5.4 58.2 48.3 42.2 57 57 A R H 4 S- 0 0 160 1,-0.2 3,-0.3 2,-0.2 -2,-0.0 0.950 107.2 -3.2 -47.1 -89.6 59.3 45.3 44.3 58 58 A K H 4 S+ 0 0 147 -3,-0.2 -1,-0.2 1,-0.2 4,-0.1 0.658 128.8 74.1 -81.3 -17.2 56.4 45.0 46.9 59 59 A E H < S- 0 0 80 -4,-1.3 2,-0.3 1,-0.1 -1,-0.2 0.843 107.9 -2.3 -65.2 -36.4 54.8 48.1 45.4 60 60 A D S < S- 0 0 74 -4,-1.7 -1,-0.1 -3,-0.3 24,-0.1 -0.919 99.1 -18.8-151.8 177.3 53.6 46.3 42.2 61 61 A D - 0 0 34 -2,-0.3 2,-0.4 -18,-0.1 -1,-0.2 0.331 47.0-161.6 -20.1 126.0 53.2 43.3 40.0 62 62 A K E -D 84 0A 117 22,-0.6 22,-0.9 -4,-0.1 2,-0.5 -0.974 11.8-138.2-120.4 129.6 55.7 40.4 40.5 63 63 A V E -D 83 0A 35 -2,-0.4 2,-0.6 20,-0.2 20,-0.2 -0.772 14.1-161.4 -91.7 125.9 56.3 37.8 37.8 64 64 A E E -D 82 0A 76 18,-2.8 18,-2.3 -2,-0.5 2,-0.6 -0.919 7.0-150.4-110.5 111.2 56.5 34.2 39.0 65 65 A I E +D 81 0A 39 -2,-0.6 16,-0.3 16,-0.2 3,-0.1 -0.718 18.8 174.7 -80.8 119.1 58.1 31.8 36.6 66 66 A T + 0 0 19 14,-3.0 684,-0.3 -2,-0.6 2,-0.3 0.569 60.0 3.3-100.8 -12.4 56.7 28.3 37.2 67 67 A S S S+ 0 0 8 13,-1.2 -1,-0.2 681,-0.1 681,-0.1 -0.996 97.0 51.7-166.1 165.4 58.4 26.5 34.3 68 68 A G S S+ 0 0 5 679,-0.6 7,-2.4 -2,-0.3 8,-0.5 0.491 85.1 98.1 82.5 4.3 60.8 26.4 31.4 69 69 A V B +G 74 0D 32 5,-0.2 2,-0.5 6,-0.1 5,-0.2 -0.983 43.7 178.1-130.1 123.7 63.7 27.8 33.4 70 70 A F S S- 0 0 46 3,-2.8 3,-0.3 -2,-0.4 778,-0.1 -0.956 75.3 -19.2-126.8 112.6 66.5 25.8 34.9 71 71 A E S S- 0 0 138 -2,-0.5 -1,-0.1 1,-0.2 3,-0.1 0.937 128.2 -48.0 57.9 52.0 69.3 27.7 36.7 72 72 A D S S+ 0 0 89 1,-0.2 -38,-2.7 -39,-0.1 2,-0.4 0.701 120.0 102.7 64.0 24.7 68.6 31.0 35.0 73 73 A F B S-F 33 0C 78 -3,-0.3 -3,-2.8 -40,-0.3 -40,-0.2 -0.999 77.7-108.7-139.6 138.4 68.4 29.5 31.5 74 74 A S B -G 69 0D 0 -42,-2.2 -43,-2.5 -2,-0.4 -5,-0.2 -0.404 22.6-154.4 -62.2 137.3 65.5 28.6 29.2 75 75 A T - 0 0 7 -7,-2.4 -45,-0.3 2,-0.2 772,-0.2 0.614 39.8-109.5 -89.0 -16.0 65.1 24.8 29.0 76 76 A G S S+ 0 0 2 1,-0.5 -49,-0.2 -8,-0.5 -46,-0.1 0.311 90.4 101.0 101.1 -8.4 63.5 24.8 25.6 77 77 A T S S- 0 0 9 1,-0.2 -1,-0.5 -9,-0.2 -2,-0.2 -0.525 88.9 -59.7-100.3 173.3 60.1 23.8 27.1 78 78 A P - 0 0 5 0, 0.0 2,-0.9 0, 0.0 -52,-0.2 -0.213 43.3-139.5 -56.9 139.3 57.2 26.1 27.8 79 79 A I E -C 25 0A 0 -54,-2.7 -54,-2.3 -11,-0.1 2,-0.3 -0.849 23.3-171.5-102.3 98.2 57.8 29.1 30.2 80 80 A G E +C 24 0A 0 -2,-0.9 -14,-3.0 665,-0.4 -13,-1.2 -0.696 7.5 177.7 -90.1 142.7 54.7 29.4 32.4 81 81 A F E -CD 23 65A 0 -58,-2.8 -58,-2.1 -2,-0.3 2,-0.4 -1.000 18.5-150.5-148.3 148.0 54.3 32.4 34.6 82 82 A L E -CD 22 64A 5 -18,-2.3 -18,-2.8 -2,-0.3 2,-0.5 -0.905 5.3-157.6-117.6 145.6 51.8 33.8 37.1 83 83 A I E -CD 21 63A 0 -62,-3.0 -62,-2.4 -2,-0.4 2,-0.4 -0.986 9.0-155.9-126.0 120.4 51.2 37.5 37.9 84 84 A H E -CD 20 62A 49 -22,-0.9 -22,-0.6 -2,-0.5 -64,-0.2 -0.794 13.3-167.6 -98.6 136.9 49.6 38.4 41.2 85 85 A N - 0 0 45 -66,-2.3 -66,-0.1 -2,-0.4 -1,-0.1 -0.003 39.5 -22.9-102.7-152.8 47.7 41.7 41.7 86 86 A Q + 0 0 132 1,-0.1 -1,-0.3 -2,-0.0 3,-0.1 0.033 45.4 163.8 -51.8 162.4 46.3 43.8 44.5 87 87 A R + 0 0 163 2,-0.2 2,-0.3 -3,-0.1 -1,-0.1 0.245 53.6 79.4-167.9 13.1 45.3 42.3 47.8 88 88 A A S S- 0 0 67 1,-0.5 -1,-0.1 0, 0.0 -2,-0.0 -0.708 98.3 -72.5-137.1 84.4 45.0 45.2 50.3 89 89 A R - 0 0 228 -2,-0.3 -1,-0.5 -3,-0.1 2,-0.2 0.135 51.1-143.4 59.2-176.7 41.7 47.2 50.1 90 90 A S - 0 0 87 1,-0.1 0, 0.0 -3,-0.1 0, 0.0 -0.823 7.2-125.3-159.1-162.6 40.8 49.6 47.3 91 91 A K - 0 0 120 1,-0.3 -1,-0.1 -2,-0.2 2,-0.1 0.463 45.1 -85.4-124.9 -94.8 39.0 52.9 46.5 92 92 A D + 0 0 118 230,-0.1 -1,-0.3 228,-0.0 229,-0.1 -0.289 45.2 153.0-150.7-124.2 36.2 53.3 43.9 93 93 A Y + 0 0 48 1,-0.2 28,-0.3 -2,-0.1 2,-0.3 0.982 51.3 90.7 73.4 85.2 35.9 53.9 40.2 94 94 A D - 0 0 86 226,-0.4 226,-1.5 224,-0.1 -1,-0.2 -0.896 40.0-173.6-172.8-161.5 32.6 52.3 39.0 95 95 A N - 0 0 40 -2,-0.3 2,-0.7 224,-0.2 224,-0.1 -0.574 63.8 -8.3-173.1-120.4 28.9 53.0 38.3 96 96 A I > - 0 0 87 -2,-0.2 3,-1.6 1,-0.1 223,-0.0 -0.920 50.6-154.9-107.9 107.4 26.0 50.8 37.4 97 97 A K T 3 S+ 0 0 136 -2,-0.7 21,-0.1 1,-0.3 -1,-0.1 0.244 87.5 66.1 -65.6 15.3 27.2 47.3 36.5 98 98 A N T 3 S+ 0 0 75 2,-0.0 212,-2.2 18,-0.0 2,-0.3 0.263 87.5 75.1-120.9 11.0 24.1 46.8 34.3 99 99 A L B < S-H 309 0E 8 -3,-1.6 2,-0.6 210,-0.3 210,-0.3 -0.800 82.3-107.0-120.6 163.0 24.7 49.4 31.5 100 100 A F - 0 0 9 208,-2.3 208,-0.3 -2,-0.3 1264,-0.1 -0.803 30.0-137.8 -92.5 119.9 27.0 49.5 28.5 101 101 A R > - 0 0 45 -2,-0.6 3,-1.9 206,-0.1 6,-0.3 -0.648 29.9-108.7 -78.6 124.4 29.8 51.9 28.9 102 102 A P T 3 S+ 0 0 3 0, 0.0 1261,-0.1 0, 0.0 1259,-0.1 -0.237 100.7 11.3 -54.1 134.6 30.4 53.9 25.7 103 103 A S T 3 S+ 0 0 4 1259,-0.4 2,-0.3 1,-0.3 1276,-0.2 0.602 107.0 111.8 72.5 11.6 33.5 52.9 23.9 104 104 A H S X S- 0 0 6 -3,-1.9 3,-0.6 195,-0.1 4,-0.3 -0.739 81.4-113.0-110.5 164.2 34.0 49.8 26.1 105 105 A A T 3> S+ 0 0 5 -2,-0.3 4,-2.6 1,-0.2 5,-0.3 0.515 88.1 104.9 -73.0 -6.5 33.7 46.1 25.1 106 106 A D H 3> S+ 0 0 1 -5,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.868 78.8 46.1 -39.7 -58.1 30.6 45.8 27.4 107 107 A F H <> S+ 0 0 21 -3,-0.6 4,-2.0 -6,-0.3 -1,-0.2 0.919 115.6 43.6 -56.5 -51.4 28.1 45.7 24.5 108 108 A T H > S+ 0 0 0 -4,-0.3 4,-2.3 2,-0.2 5,-0.2 0.845 113.0 50.5 -69.5 -33.7 29.9 43.2 22.3 109 109 A Y H X>S+ 0 0 27 -4,-2.6 4,-2.3 2,-0.2 5,-0.8 0.920 109.7 53.3 -67.9 -41.6 30.9 40.8 25.1 110 110 A F H X5S+ 0 0 43 -4,-2.2 4,-1.2 -5,-0.3 -2,-0.2 0.915 115.0 39.5 -57.7 -46.7 27.2 40.8 26.2 111 111 A H H <5S+ 0 0 65 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.854 116.5 48.5 -75.6 -34.6 26.0 39.9 22.7 112 112 A K H <5S+ 0 0 2 -4,-2.3 -2,-0.2 -5,-0.2 -3,-0.2 0.934 133.6 10.5 -71.3 -47.0 28.7 37.4 21.8 113 113 A Y H <5S- 0 0 19 -4,-2.3 2,-2.0 -5,-0.2 -3,-0.2 0.588 82.5-148.8-109.0 -16.7 28.7 35.3 24.9 114 114 A G << + 0 0 22 -4,-1.2 2,-0.1 -5,-0.8 -1,-0.1 -0.313 59.8 116.3 80.6 -58.1 25.5 36.5 26.7 115 115 A I - 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