==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 14-NOV-05 2F12 . COMPND 2 MOLECULE: SIALIDASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR L.M.G.CHAVAS,R.KATO,M.C.MANN,R.J.THOMSON,J.C.DYASON,M.VON . 359 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14774.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 225 62.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 144 40.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 1.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 28 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 11 3.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.9 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 2 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 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 1 4 0 2 3 3 3 3 2 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 4 1 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 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 3 A S 0 0 100 0, 0.0 312,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 166.5 24.0 9.7 4.9 2 4 A L - 0 0 14 310,-2.9 2,-0.4 1,-0.1 356,-0.1 -0.075 360.0-108.4 -48.2 138.1 27.4 11.2 6.1 3 5 A P - 0 0 83 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.592 44.8-170.6 -73.9 123.9 30.4 8.8 6.3 4 6 A V - 0 0 43 -2,-0.4 349,-0.2 349,-0.1 3,-0.1 -0.804 34.9-131.9-120.0 159.9 31.2 8.0 9.9 5 7 A L S S+ 0 0 40 347,-2.0 2,-0.3 -2,-0.3 348,-0.2 0.764 92.6 6.6 -76.0 -25.9 34.0 6.3 11.9 6 8 A Q E -A 352 0A 15 346,-1.5 346,-1.9 52,-0.1 2,-0.3 -0.981 49.4-179.5-160.9 144.4 31.5 4.3 13.9 7 9 A K E +A 351 0A 120 -2,-0.3 2,-0.4 344,-0.2 344,-0.2 -0.826 26.1 156.6-147.2 101.7 27.8 3.5 14.2 8 10 A E E -A 350 0A 64 342,-2.4 342,-3.4 -2,-0.3 2,-0.4 -0.992 42.6-124.0-136.2 135.3 26.9 1.1 17.0 9 11 A S E +A 349 0A 36 -2,-0.4 340,-0.2 340,-0.2 3,-0.1 -0.602 30.0 174.8 -73.2 125.5 23.7 0.5 19.0 10 12 A V E + 0 0 3 338,-2.6 2,-0.3 -2,-0.4 339,-0.2 0.560 65.9 30.9-110.4 -12.7 24.6 0.9 22.7 11 13 A F E -A 348 0A 3 337,-1.2 337,-2.2 7,-0.1 2,-0.3 -0.982 69.1-178.7-145.5 133.9 21.2 0.6 24.3 12 14 A Q E -A 347 0A 115 -2,-0.3 4,-0.3 335,-0.2 335,-0.2 -0.987 35.5-101.8-138.3 148.8 18.3 -1.6 23.1 13 15 A S + 0 0 57 333,-2.6 4,-0.2 -2,-0.3 2,-0.1 -0.484 67.2 122.9 -66.1 127.0 14.7 -2.4 24.1 14 16 A G S S- 0 0 65 2,-2.9 -1,-0.1 -2,-0.2 3,-0.0 -0.143 86.8 -11.0-147.0-110.1 14.8 -5.8 25.8 15 17 A A S S+ 0 0 97 -2,-0.1 2,-0.2 25,-0.0 -2,-0.1 0.794 142.3 24.4 -71.1 -26.7 13.5 -6.4 29.3 16 18 A H S S- 0 0 64 -4,-0.3 -2,-2.9 24,-0.1 2,-0.3 -0.759 81.4-119.0-129.0 175.5 13.5 -2.6 29.6 17 19 A A E -D 39 0B 33 22,-2.5 22,-3.1 -2,-0.2 2,-0.4 -0.879 24.0-149.6-115.8 149.0 13.2 0.4 27.3 18 20 A Y E +D 38 0B 17 327,-0.4 2,-0.3 -2,-0.3 20,-0.2 -0.972 26.8 142.3-127.2 137.9 15.9 3.1 27.0 19 21 A R E +D 37 0B 41 18,-1.2 18,-3.0 -2,-0.4 329,-0.1 -0.927 40.3 58.1-155.4 175.4 15.6 6.8 26.3 20 22 A I E - 0 0 10 -2,-0.3 -1,-0.2 16,-0.2 135,-0.2 0.987 67.0-155.4 58.4 70.9 17.0 10.2 27.2 21 23 A P E - 0 0 1 0, 0.0 2,-0.3 0, 0.0 15,-0.2 -0.339 15.4-174.1 -75.8 154.6 20.7 9.8 26.3 22 24 A A E -D 35 0B 0 13,-1.8 13,-2.9 133,-0.1 2,-0.4 -0.979 6.9-161.6-146.5 136.1 23.6 11.8 27.8 23 25 A L E -D 34 0B 0 -2,-0.3 2,-0.4 11,-0.2 133,-0.3 -0.975 7.6-177.6-127.4 139.4 27.2 11.5 26.7 24 26 A L E -D 33 0B 7 9,-1.9 9,-2.7 -2,-0.4 2,-0.4 -0.989 12.5-151.4-139.3 128.8 30.4 12.6 28.5 25 27 A Y E -D 32 0B 32 -2,-0.4 7,-0.2 7,-0.2 59,-0.1 -0.843 2.9-155.7-102.0 132.4 34.0 12.5 27.3 26 28 A L E >>> -D 31 0B 6 5,-3.0 3,-2.2 -2,-0.4 5,-1.2 -0.820 10.8-164.2-106.6 90.7 36.9 12.1 29.7 27 29 A P G >45S+ 0 0 74 0, 0.0 3,-1.8 0, 0.0 -1,-0.2 0.869 84.8 46.8 -39.2 -63.5 39.9 13.6 27.9 28 30 A G G 345S+ 0 0 72 1,-0.3 -2,-0.0 2,-0.1 0, 0.0 0.586 115.4 49.7 -62.8 -7.4 42.7 12.2 29.9 29 31 A Q G <45S- 0 0 72 -3,-2.2 -1,-0.3 2,-0.2 23,-0.2 0.453 95.3-136.0-109.4 -3.4 41.1 8.8 29.8 30 32 A Q T <<5S+ 0 0 118 -3,-1.8 22,-3.3 -4,-0.7 2,-0.3 0.833 70.2 115.5 51.2 31.2 40.4 8.5 26.1 31 33 A S E < -DE 26 51B 0 -5,-1.2 -5,-3.0 20,-0.2 2,-0.3 -0.937 56.2-144.0-136.0 158.5 37.0 7.2 27.2 32 34 A L E -DE 25 50B 0 18,-2.8 18,-3.0 -2,-0.3 2,-0.5 -0.868 5.9-148.8-118.7 150.9 33.3 8.0 27.1 33 35 A L E -DE 24 49B 1 -9,-2.7 -9,-1.9 -2,-0.3 2,-0.6 -0.986 14.9-162.5-118.6 120.4 30.5 7.5 29.6 34 36 A A E -DE 23 48B 0 14,-2.9 14,-1.9 -2,-0.5 2,-0.3 -0.929 9.9-172.1-109.1 119.6 27.1 6.9 28.0 35 37 A F E +DE 22 47B 0 -13,-2.9 -13,-1.8 -2,-0.6 2,-0.3 -0.757 10.5 160.4-110.0 157.5 24.0 7.4 30.2 36 38 A A E - E 0 46B 0 10,-1.6 10,-2.7 -2,-0.3 2,-0.4 -0.974 41.6 -97.0-165.3 162.0 20.4 6.7 29.6 37 39 A E E -DE 19 45B 2 -18,-3.0 -18,-1.2 -2,-0.3 2,-0.8 -0.748 28.2-145.8 -88.3 134.3 17.1 6.2 31.5 38 40 A Q E -DE 18 44B 21 6,-4.1 6,-1.8 -2,-0.4 5,-1.2 -0.893 25.5-169.1-101.2 106.6 16.2 2.5 32.0 39 41 A R E D 17 0B 65 -22,-3.1 -22,-2.5 -2,-0.8 6,-0.0 -0.719 360.0 360.0-101.1 147.7 12.4 2.5 31.8 40 42 A A 0 0 94 -2,-0.3 -24,-0.1 -24,-0.2 -1,-0.1 -0.280 360.0 360.0 -62.6 360.0 10.0 -0.3 32.7 41 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 42 49 A A 0 0 23 0, 0.0 -3,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 103.3 11.8 6.2 33.8 43 50 A E + 0 0 81 -5,-1.2 34,-2.2 33,-0.2 2,-0.3 0.924 360.0 8.1 -90.3 -56.2 12.8 4.3 36.9 44 51 A L E -E 38 0B 48 -6,-1.8 -6,-4.1 32,-0.2 2,-0.5 -0.799 63.0-121.1-128.6 169.1 16.6 4.2 36.9 45 52 A I E -E 37 0B 0 22,-0.4 22,-2.8 25,-0.3 2,-0.3 -0.923 27.8-164.4-110.6 131.5 19.7 5.6 35.2 46 53 A V E -EF 36 66B 0 -10,-2.7 -10,-1.6 -2,-0.5 2,-0.3 -0.766 0.3-158.0-113.1 162.2 22.2 3.2 33.5 47 54 A L E -EF 35 65B 15 18,-2.9 18,-2.7 -2,-0.3 2,-0.4 -0.993 9.5-167.6-142.9 145.9 25.7 3.8 32.3 48 55 A R E -E 34 0B 44 -14,-1.9 -14,-2.9 -2,-0.3 2,-0.4 -0.999 15.7-146.1-133.0 130.6 28.2 2.2 29.8 49 56 A R E -E 33 0B 37 -2,-0.4 13,-3.2 14,-0.4 2,-0.4 -0.795 15.4-167.7 -97.9 138.3 31.9 3.1 29.7 50 57 A G E -EG 32 61B 0 -18,-3.0 -18,-2.8 -2,-0.4 2,-0.6 -0.990 13.0-148.1-130.6 134.7 33.7 3.1 26.4 51 58 A D E -EG 31 60B 67 9,-2.2 9,-2.8 -2,-0.4 2,-0.5 -0.885 18.3-141.6-102.1 123.9 37.4 3.2 25.6 52 59 A Y E - G 0 59B 17 -22,-3.3 2,-0.7 -2,-0.6 7,-0.3 -0.738 14.0-170.1 -89.7 122.5 38.4 5.0 22.4 53 60 A D E > > - G 0 58B 69 5,-3.2 5,-2.0 -2,-0.5 3,-0.7 -0.906 4.8-166.9-114.3 104.0 41.2 3.5 20.3 54 61 A A G > 5S+ 0 0 44 -2,-0.7 3,-1.6 1,-0.2 -1,-0.2 0.879 83.2 61.4 -56.6 -45.1 42.3 5.9 17.5 55 62 A P G 3 5S+ 0 0 109 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.855 114.7 35.3 -53.2 -36.0 44.4 3.4 15.6 56 63 A T G < 5S- 0 0 85 -3,-0.7 -2,-0.2 2,-0.2 3,-0.1 0.359 105.3-129.0 -98.8 4.3 41.3 1.2 15.0 57 64 A H T < 5S+ 0 0 84 -3,-1.6 2,-0.3 -4,-0.4 -3,-0.2 0.864 70.3 116.2 51.7 38.9 38.9 4.2 14.7 58 65 A Q E < -G 53 0B 70 -5,-2.0 -5,-3.2 -52,-0.1 2,-0.5 -0.989 61.2-142.8-145.5 150.3 36.7 2.5 17.3 59 66 A V E -G 52 0B 0 -2,-0.3 2,-0.6 -7,-0.3 -7,-0.3 -0.920 21.6-144.8-106.5 128.7 35.3 2.8 20.8 60 67 A Q E -G 51 0B 106 -9,-2.8 -9,-2.2 -2,-0.5 2,-0.5 -0.848 15.9-147.8 -95.3 119.0 35.0 -0.4 22.8 61 68 A W E -G 50 0B 29 -2,-0.6 -11,-0.2 -11,-0.2 3,-0.1 -0.774 6.7-149.3 -96.5 125.7 31.9 -0.5 25.0 62 69 A Q - 0 0 97 -13,-3.2 -1,-0.0 -2,-0.5 0, 0.0 -0.217 41.8 -61.6 -79.8 172.8 31.9 -2.3 28.3 63 70 A A - 0 0 78 1,-0.1 -14,-0.4 -15,-0.1 -1,-0.2 -0.233 58.2-102.2 -61.0 142.4 28.9 -3.9 30.0 64 71 A Q - 0 0 71 -16,-0.1 2,-0.4 -3,-0.1 -16,-0.2 -0.356 42.5-172.7 -64.1 137.9 25.9 -1.8 31.0 65 72 A E E -F 47 0B 132 -18,-2.7 -18,-2.9 -2,-0.1 2,-0.3 -0.998 23.2-119.6-140.6 141.0 25.6 -1.0 34.7 66 73 A V E -F 46 0B 67 -2,-0.4 2,-1.8 -20,-0.2 -20,-0.2 -0.552 20.5-131.2 -77.1 135.0 23.0 0.7 36.9 67 74 A V > - 0 0 3 -22,-2.8 3,-1.3 -2,-0.3 -22,-0.4 -0.662 31.3-174.2 -85.9 84.8 24.0 3.9 38.7 68 75 A A T 3 S+ 0 0 65 -2,-1.8 -1,-0.2 1,-0.3 -22,-0.0 0.823 75.4 49.8 -49.2 -44.9 22.6 2.5 42.0 69 76 A Q T 3 S+ 0 0 77 1,-0.2 2,-2.5 -3,-0.2 -1,-0.3 0.668 85.0 92.6 -72.9 -18.9 23.1 5.7 44.0 70 77 A A S < S+ 0 0 0 -3,-1.3 2,-0.3 -25,-0.2 -25,-0.3 -0.362 77.9 71.4 -77.1 64.8 21.4 7.9 41.4 71 78 A R - 0 0 113 -2,-2.5 2,-0.4 -27,-0.1 5,-0.1 -0.972 68.4-130.4-170.4 156.4 18.0 7.7 43.0 72 79 A L > - 0 0 34 -2,-0.3 3,-2.1 3,-0.1 26,-0.1 -0.912 47.1 -91.4-113.7 143.9 15.8 8.7 45.9 73 80 A D T 3 S+ 0 0 141 -2,-0.4 3,-0.1 1,-0.3 -1,-0.0 -0.283 111.9 7.8 -55.7 129.5 13.8 6.2 47.9 74 81 A G T 3 S+ 0 0 56 1,-0.2 26,-2.0 25,-0.1 2,-0.3 0.666 111.9 105.9 72.5 16.4 10.3 5.8 46.4 75 82 A H E < -H 99 0C 56 -3,-2.1 2,-0.4 24,-0.2 -1,-0.2 -0.896 67.4-126.3-127.4 157.5 11.1 8.0 43.4 76 83 A R E -H 98 0C 80 22,-3.2 22,-2.4 -2,-0.3 2,-0.4 -0.822 27.1-137.7 -98.7 140.1 11.8 7.5 39.7 77 84 A S E +H 97 0C 0 -34,-2.2 2,-0.3 -2,-0.4 20,-0.2 -0.840 31.9 160.8-101.7 136.7 15.1 9.0 38.4 78 85 A M E +H 96 0C 34 18,-2.9 18,-3.5 -2,-0.4 -33,-0.1 -0.956 37.5 41.5-150.3 167.9 15.3 10.9 35.1 79 86 A N E - 0 0 17 -2,-0.3 2,-0.2 16,-0.2 -1,-0.2 0.977 63.5-149.8 60.3 63.9 17.2 13.3 32.9 80 87 A P E - 0 0 0 0, 0.0 75,-2.0 0, 0.0 15,-0.2 -0.479 17.7-178.4 -64.8 128.7 20.8 12.2 33.4 81 88 A C E -H 94 0C 0 13,-2.4 13,-2.5 -2,-0.2 75,-0.2 -0.840 8.2-165.9-133.1 94.5 23.0 15.3 33.0 82 89 A P E +H 93 0C 0 0, 0.0 75,-2.7 0, 0.0 2,-0.3 -0.425 9.7 176.8 -83.2 156.2 26.8 14.5 33.4 83 90 A L E -H 92 0C 8 9,-2.1 9,-3.6 73,-0.2 2,-0.6 -0.967 19.6-146.9-157.7 139.0 29.6 17.0 33.9 84 91 A Y E -H 91 0C 70 -2,-0.3 2,-1.0 7,-0.2 7,-0.2 -0.949 12.5-146.4-113.3 117.2 33.4 16.6 34.5 85 92 A D E >> -H 90 0C 0 5,-2.9 4,-2.0 -2,-0.6 5,-0.5 -0.731 9.5-164.8 -83.6 106.1 35.0 19.2 36.7 86 93 A A T 45S+ 0 0 57 -2,-1.0 -1,-0.2 1,-0.2 5,-0.0 0.610 84.0 49.4 -67.4 -14.0 38.5 19.5 35.1 87 94 A Q T 45S+ 0 0 117 78,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.839 120.9 28.9 -94.7 -38.6 39.9 21.3 38.2 88 95 A T T 45S- 0 0 61 2,-0.2 -2,-0.2 -3,-0.0 3,-0.1 0.601 97.7-128.9 -96.0 -13.6 38.8 19.0 41.0 89 96 A G T <5 + 0 0 31 -4,-2.0 2,-0.3 1,-0.3 36,-0.3 0.670 60.8 142.4 74.0 15.8 38.8 15.9 38.9 90 97 A T E < -H 85 0C 26 -5,-0.5 -5,-2.9 34,-0.1 2,-0.5 -0.718 45.4-143.2 -94.8 140.6 35.2 15.2 40.1 91 98 A L E -HI 84 122C 3 31,-2.8 31,-2.1 -2,-0.3 2,-0.4 -0.883 17.7-160.0-101.7 129.3 32.5 13.7 37.9 92 99 A F E -HI 83 121C 6 -9,-3.6 -9,-2.1 -2,-0.5 2,-0.4 -0.868 12.6-171.4-110.9 143.6 29.0 15.0 38.5 93 100 A L E -HI 82 120C 0 27,-2.1 27,-1.4 -2,-0.4 2,-0.2 -0.862 11.0-170.7-133.8 98.5 25.7 13.3 37.5 94 101 A F E +HI 81 119C 3 -13,-2.5 -13,-2.4 -2,-0.4 2,-0.3 -0.576 16.5 158.2 -85.5 152.4 22.7 15.6 38.0 95 102 A F E - I 0 118C 0 23,-2.1 23,-2.7 -15,-0.2 2,-0.4 -0.987 37.3-108.0-166.7 165.8 19.2 14.2 37.6 96 103 A I E -HI 78 117C 2 -18,-3.5 -18,-2.9 -2,-0.3 2,-0.4 -0.871 23.0-159.7-108.3 137.6 15.6 14.6 38.5 97 104 A A E -HI 77 116C 0 19,-2.0 19,-2.5 -2,-0.4 -20,-0.2 -0.957 10.8-177.6-117.1 132.9 13.7 12.4 41.0 98 105 A I E -H 76 0C 13 -22,-2.4 -22,-3.2 -2,-0.4 4,-0.1 -0.986 34.9 -95.6-132.5 139.9 9.9 12.2 41.0 99 106 A P E > -H 75 0C 30 0, 0.0 3,-1.0 0, 0.0 -24,-0.2 -0.159 31.1-127.6 -50.7 140.6 7.4 10.3 43.3 100 107 A G T 3 S+ 0 0 33 -26,-2.0 2,-0.6 1,-0.3 -25,-0.1 0.902 105.6 64.9 -57.5 -45.6 6.4 6.8 42.0 101 108 A Q T 3 S+ 0 0 171 -27,-0.2 2,-0.3 2,-0.0 -1,-0.3 0.145 96.6 85.7 -67.2 25.4 2.7 7.5 42.3 102 109 A V < - 0 0 18 -3,-1.0 2,-0.1 -2,-0.6 -4,-0.1 -0.937 56.5-166.4-132.5 153.3 3.2 10.2 39.7 103 110 A T - 0 0 84 -2,-0.3 4,-0.2 1,-0.1 -2,-0.0 -0.280 35.2-102.1-114.8-159.1 3.2 10.5 35.9 104 111 A E S >> S+ 0 0 137 2,-0.2 4,-2.1 -2,-0.1 3,-1.1 0.877 116.1 47.8 -96.5 -55.1 4.4 13.1 33.4 105 112 A Q H 3> S+ 0 0 144 1,-0.3 4,-1.4 2,-0.2 -1,-0.0 0.828 110.9 56.7 -55.4 -31.8 1.2 14.7 32.2 106 113 A Q H 34 S+ 0 0 81 2,-0.2 -1,-0.3 1,-0.2 -2,-0.2 0.811 106.6 50.4 -69.4 -30.7 0.3 14.9 36.0 107 114 A Q H <4 S+ 0 0 5 -3,-1.1 3,-0.3 -4,-0.2 4,-0.3 0.958 102.5 57.4 -71.5 -54.3 3.5 16.9 36.5 108 115 A L H < S+ 0 0 45 -4,-2.1 2,-0.4 1,-0.2 -2,-0.2 0.868 123.7 15.7 -44.9 -49.1 3.0 19.5 33.8 109 116 A Q S < S+ 0 0 114 -4,-1.4 -1,-0.2 1,-0.1 -2,-0.1 -0.877 86.8 91.4-140.0 108.9 -0.3 20.6 35.3 110 117 A T S S- 0 0 66 -2,-0.4 -1,-0.1 -3,-0.3 -2,-0.1 0.143 79.7-126.3-163.7 -10.6 -1.5 19.8 38.8 111 118 A R S S+ 0 0 151 -4,-0.3 2,-0.6 -3,-0.1 -4,-0.1 0.511 79.9 109.8 66.0 6.5 -0.1 23.0 40.4 112 119 A A - 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