==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 12-MAR-04 1SO7 . COMPND 2 MOLECULE: SIALIDASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR L.M.G.CHAVAS,P.FUSI,C.TRINGALI,B.VENERANDO,G.TETTAMANTI,R.KA . 361 4 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15268.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 220 60.9 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 . 142 39.3 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 . 25 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 13 3.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 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 1 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 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 3 2 3 3 4 1 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 4 A L 0 0 80 0, 0.0 2,-0.3 0, 0.0 358,-0.1 0.000 360.0 360.0 360.0 159.4 -30.0 95.5 16.4 2 5 A P - 0 0 84 0, 0.0 2,-0.3 0, 0.0 0, 0.0 -0.627 360.0-167.3 -82.4 141.7 -33.3 97.1 15.2 3 6 A V - 0 0 48 -2,-0.3 351,-0.2 351,-0.1 3,-0.1 -0.900 29.4-136.3-128.9 159.6 -33.1 98.7 11.8 4 7 A L S S+ 0 0 30 349,-2.1 2,-0.3 -2,-0.3 350,-0.2 0.818 88.7 5.0 -80.8 -32.6 -35.3 101.0 9.7 5 8 A Q E +A 353 0A 9 348,-1.7 348,-2.3 51,-0.1 2,-0.3 -0.989 52.3 175.7-157.0 142.9 -34.9 99.1 6.5 6 9 A K E +A 352 0A 119 -2,-0.3 2,-0.3 346,-0.2 346,-0.2 -0.871 24.6 143.5-148.8 110.7 -33.3 95.9 5.1 7 10 A E E -A 351 0A 74 344,-2.2 344,-3.1 -2,-0.3 2,-0.5 -0.993 49.5-113.7-153.3 144.9 -33.7 94.9 1.5 8 11 A S E +A 350 0A 52 -2,-0.3 342,-0.3 342,-0.2 3,-0.1 -0.644 28.8 177.5 -75.9 122.7 -31.8 93.2 -1.3 9 12 A V E S+ 0 0 4 340,-2.3 2,-0.3 -2,-0.5 341,-0.2 0.589 72.8 32.3-101.8 -14.7 -31.3 95.8 -4.0 10 13 A F E S+A 349 0A 3 339,-1.5 339,-2.5 7,-0.1 2,-0.3 -0.993 70.5 177.0-140.9 133.9 -29.2 93.5 -6.3 11 14 A Q E +A 348 0A 109 -2,-0.3 337,-0.3 337,-0.2 2,-0.2 -0.999 8.2 159.0-143.5 139.5 -29.7 89.7 -6.5 12 15 A S > - 0 0 17 335,-3.1 3,-1.9 -2,-0.3 5,-0.1 -0.799 29.8-158.5-163.1 116.4 -28.0 87.0 -8.7 13 16 A G T 3 S+ 0 0 51 1,-0.3 335,-0.1 -2,-0.2 -1,-0.1 0.689 103.1 56.2 -66.6 -16.3 -27.8 83.3 -8.2 14 17 A A T 3 S- 0 0 47 333,-0.1 -1,-0.3 -3,-0.1 333,-0.1 0.187 118.4-113.1 -98.6 14.0 -24.8 83.5 -10.6 15 18 A H < + 0 0 69 -3,-1.9 -2,-0.1 1,-0.1 332,-0.1 0.895 64.7 152.9 55.2 42.6 -23.0 86.0 -8.3 16 19 A A + 0 0 16 331,-0.1 22,-2.7 1,-0.1 2,-0.5 0.770 52.1 63.3 -73.6 -27.8 -23.5 88.6 -11.1 17 20 A Y E +D 37 0B 32 329,-0.3 2,-0.3 20,-0.2 20,-0.2 -0.887 63.3 138.5-108.7 124.9 -23.5 91.6 -8.7 18 21 A R E +D 36 0B 68 18,-1.8 18,-3.3 -2,-0.5 331,-0.1 -0.923 38.0 51.8-149.3 172.3 -20.5 92.6 -6.6 19 22 A I E - 0 0 12 -2,-0.3 -1,-0.2 16,-0.2 134,-0.2 0.988 67.2-151.3 59.9 72.1 -18.5 95.5 -5.4 20 23 A P E - 0 0 2 0, 0.0 2,-0.3 0, 0.0 15,-0.2 -0.365 15.9-175.3 -73.6 148.6 -21.1 97.9 -3.9 21 24 A A E -D 34 0B 0 13,-1.8 13,-3.1 132,-0.1 2,-0.4 -0.984 6.1-163.3-143.5 132.5 -20.7 101.7 -3.7 22 25 A L E -D 33 0B 0 -2,-0.3 2,-0.4 11,-0.2 132,-0.3 -0.955 6.1-175.3-123.3 138.7 -23.1 104.0 -2.0 23 26 A L E -D 32 0B 6 9,-2.0 9,-2.2 -2,-0.4 2,-0.4 -0.986 11.9-151.6-136.4 127.2 -23.5 107.8 -2.4 24 27 A Y E -D 31 0B 26 -2,-0.4 7,-0.2 7,-0.2 58,-0.1 -0.819 4.3-154.4 -98.0 132.6 -25.9 110.1 -0.5 25 28 A L E >> -D 30 0B 4 5,-3.0 4,-1.8 -2,-0.4 5,-1.4 -0.926 7.3-163.1-105.6 107.3 -27.1 113.3 -2.1 26 29 A P T 45S+ 0 0 61 0, 0.0 -1,-0.1 0, 0.0 5,-0.0 0.803 84.6 45.5 -62.1 -35.3 -27.9 115.7 0.7 27 30 A G T 45S+ 0 0 60 1,-0.2 -2,-0.0 2,-0.1 60,-0.0 0.945 121.3 36.5 -75.0 -49.0 -30.0 118.2 -1.2 28 31 A Q T 45S- 0 0 77 2,-0.1 22,-0.2 21,-0.0 -1,-0.2 0.710 99.3-137.4 -73.6 -22.1 -32.1 115.6 -3.0 29 32 A Q T <5 + 0 0 94 -4,-1.8 21,-2.6 1,-0.2 2,-0.3 0.962 61.5 125.3 58.3 53.1 -32.1 113.4 0.1 30 33 A S E < -DE 25 49B 1 -5,-1.4 -5,-3.0 19,-0.2 2,-0.3 -0.890 53.5-133.6-136.7 165.1 -31.5 110.4 -2.2 31 34 A L E -DE 24 48B 1 17,-3.3 17,-2.5 -2,-0.3 2,-0.5 -0.911 3.0-151.7-122.9 149.5 -29.1 107.6 -2.5 32 35 A L E -DE 23 47B 0 -9,-2.2 -9,-2.0 -2,-0.3 2,-0.6 -0.993 13.7-163.8-119.6 118.9 -27.2 106.2 -5.6 33 36 A A E -DE 22 46B 0 13,-2.8 13,-2.0 -2,-0.5 2,-0.3 -0.939 10.9-173.7-108.1 116.2 -26.4 102.5 -5.2 34 37 A F E +DE 21 45B 0 -13,-3.1 -13,-1.8 -2,-0.6 2,-0.3 -0.749 8.4 166.1-107.6 155.5 -23.8 101.3 -7.6 35 38 A A E - E 0 44B 0 9,-1.7 9,-2.8 -2,-0.3 2,-0.4 -0.973 37.6-106.1-159.8 161.6 -22.5 97.8 -8.3 36 39 A E E -DE 18 43B 12 -18,-3.3 -18,-1.8 -2,-0.3 2,-0.5 -0.781 29.4-155.9 -91.7 139.0 -20.5 95.8 -10.8 37 40 A Q E DE 17 42B 47 5,-3.1 5,-1.9 -2,-0.4 -20,-0.2 -0.970 360.0 360.0-119.3 115.8 -22.5 93.5 -13.0 38 41 A R 0 0 163 -22,-2.7 3,-0.1 -2,-0.5 -22,-0.0 -0.596 360.0 360.0 -89.2 360.0 -20.6 90.6 -14.6 39 ! 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 40 49 A A 0 0 106 0, 0.0 2,-0.1 0, 0.0 34,-0.1 0.000 360.0 360.0 360.0 163.1 -18.3 92.7 -20.6 41 50 A E + 0 0 25 -3,-0.1 34,-2.9 -5,-0.1 2,-0.3 -0.371 360.0 174.2 -63.2 131.6 -18.4 93.8 -16.9 42 51 A L E -E 37 0B 25 -5,-1.9 -5,-3.1 32,-0.2 2,-0.5 -0.841 32.3-105.3-134.3 170.9 -20.3 97.1 -16.5 43 52 A I E -E 36 0B 0 22,-0.4 22,-3.0 25,-0.4 2,-0.3 -0.867 32.6-167.1-103.0 130.2 -21.5 99.3 -13.7 44 53 A V E -EF 35 64B 0 -9,-2.8 -9,-1.7 -2,-0.5 2,-0.3 -0.724 2.8-160.8-110.4 165.2 -25.2 99.4 -12.8 45 54 A L E -EF 34 63B 12 18,-2.8 18,-2.4 -2,-0.3 2,-0.4 -0.999 13.7-164.5-149.6 147.2 -27.1 101.8 -10.6 46 55 A R E -E 33 0B 44 -13,-2.0 -13,-2.8 -2,-0.3 2,-0.3 -0.999 17.0-146.9-132.4 128.9 -30.3 102.1 -8.6 47 56 A R E -E 32 0B 24 -2,-0.4 13,-3.4 14,-0.4 2,-0.4 -0.754 16.8-172.9 -93.6 141.6 -31.6 105.5 -7.4 48 57 A G E -EG 31 59B 0 -17,-2.5 -17,-3.3 -2,-0.3 2,-0.4 -0.978 12.2-150.6-142.0 126.7 -33.5 105.6 -4.1 49 58 A D E -EG 30 58B 70 9,-1.5 9,-2.8 -2,-0.4 2,-0.8 -0.771 22.6-123.6 -96.1 137.9 -35.3 108.5 -2.5 50 59 A Y E - G 0 57B 34 -21,-2.6 2,-1.1 -2,-0.4 7,-0.2 -0.714 23.4-152.8 -79.4 112.8 -35.6 108.8 1.2 51 60 A D E >>> - G 0 56B 45 5,-3.2 4,-1.5 -2,-0.8 5,-1.2 -0.771 7.3-166.4 -90.6 98.3 -39.3 109.0 1.8 52 61 A A G >45S+ 0 0 62 -2,-1.1 3,-0.5 1,-0.2 -1,-0.2 0.893 82.1 60.1 -50.6 -50.0 -39.6 111.0 5.1 53 62 A P G 345S+ 0 0 113 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.810 123.6 22.8 -51.4 -33.0 -43.3 110.1 5.7 54 63 A T G <45S- 0 0 61 -3,-1.1 -2,-0.2 2,-0.2 3,-0.1 0.417 99.3-133.4-112.9 -1.3 -42.4 106.4 5.8 55 64 A H T <<5 + 0 0 74 -4,-1.5 2,-0.3 -3,-0.5 -3,-0.2 0.889 67.0 119.4 44.1 50.1 -38.7 106.8 6.7 56 65 A Q E < -G 51 0B 59 -5,-1.2 -5,-3.2 -7,-0.1 2,-0.6 -0.974 68.4-119.1-138.4 148.5 -37.8 104.3 4.0 57 66 A V E -G 50 0B 4 -2,-0.3 2,-0.9 -7,-0.2 -7,-0.2 -0.811 24.0-146.4 -90.9 126.3 -35.7 104.6 0.8 58 67 A Q E -G 49 0B 109 -9,-2.8 -9,-1.5 -2,-0.6 2,-0.3 -0.819 16.0-149.1 -96.3 101.7 -37.8 103.9 -2.2 59 68 A W E -G 48 0B 27 -2,-0.9 -11,-0.2 -11,-0.2 2,-0.1 -0.534 8.5-150.5 -76.4 131.7 -35.5 102.1 -4.7 60 69 A Q - 0 0 93 -13,-3.4 -1,-0.1 -2,-0.3 0, 0.0 -0.325 38.7 -59.7 -91.6 176.6 -36.2 102.7 -8.4 61 70 A A - 0 0 74 1,-0.1 -14,-0.4 -15,-0.1 -1,-0.2 -0.231 58.7-103.3 -61.0 142.9 -35.5 100.4 -11.4 62 71 A Q - 0 0 68 -16,-0.1 2,-0.3 -3,-0.1 -16,-0.2 -0.373 42.0-175.6 -66.8 141.0 -31.9 99.2 -12.0 63 72 A E E -F 45 0B 120 -18,-2.4 -18,-2.8 -2,-0.1 2,-0.3 -0.987 25.8-117.8-140.1 148.8 -30.1 100.9 -14.9 64 73 A V E -F 44 0B 67 -2,-0.3 2,-1.9 -20,-0.2 -20,-0.2 -0.683 21.5-130.9 -86.0 136.8 -26.7 100.4 -16.6 65 74 A V > - 0 0 7 -22,-3.0 3,-1.2 -2,-0.3 -22,-0.4 -0.644 33.1-179.7 -86.0 79.9 -24.3 103.4 -16.4 66 75 A A T 3 S+ 0 0 60 -2,-1.9 -1,-0.2 1,-0.3 3,-0.1 0.778 73.3 56.5 -52.4 -34.7 -23.7 103.1 -20.1 67 76 A Q T 3 S+ 0 0 81 1,-0.2 2,-2.3 -3,-0.2 -1,-0.3 0.771 86.4 81.6 -71.6 -27.4 -21.3 106.1 -20.2 68 77 A A S < S+ 0 0 1 -3,-1.2 -25,-0.4 -25,-0.2 2,-0.3 -0.389 81.7 82.5 -79.3 64.5 -19.0 104.5 -17.5 69 78 A R - 0 0 118 -2,-2.3 2,-0.4 -27,-0.1 5,-0.1 -0.971 63.1-142.6-165.7 147.2 -17.2 102.3 -20.0 70 79 A L > - 0 0 34 -2,-0.3 3,-2.2 3,-0.1 26,-0.1 -0.923 45.9 -92.8-112.5 139.7 -14.4 102.3 -22.6 71 80 A D T 3 S+ 0 0 155 -2,-0.4 3,-0.1 1,-0.3 -1,-0.0 -0.247 111.7 9.6 -52.8 132.7 -14.8 100.3 -25.8 72 81 A G T 3 S+ 0 0 65 1,-0.2 26,-2.7 25,-0.1 27,-0.4 0.615 110.7 110.2 72.3 13.1 -13.3 96.9 -25.5 73 82 A H E < -H 97 0C 42 -3,-2.2 2,-0.4 24,-0.3 -1,-0.2 -0.883 65.4-129.1-123.4 154.7 -12.9 97.3 -21.7 74 83 A R E -H 96 0C 106 22,-3.6 22,-2.2 -2,-0.3 2,-0.4 -0.797 26.7-140.4 -95.7 138.1 -14.5 95.9 -18.5 75 84 A S E +H 95 0C 0 -34,-2.9 2,-0.3 -2,-0.4 20,-0.2 -0.845 31.8 156.3-102.9 138.8 -15.6 98.5 -16.0 76 85 A M E +H 94 0C 27 18,-2.5 18,-2.8 -2,-0.4 -33,-0.1 -0.945 36.0 43.0-152.7 172.1 -15.1 98.0 -12.3 77 86 A N E - 0 0 16 -2,-0.3 -1,-0.2 16,-0.2 73,-0.2 0.946 63.1-148.5 54.8 62.3 -14.7 99.5 -8.9 78 87 A P E - 0 0 0 0, 0.0 75,-2.1 0, 0.0 15,-0.2 -0.403 17.7-176.8 -60.6 131.8 -17.4 102.2 -8.9 79 88 A a E -H 92 0C 0 13,-2.4 13,-2.6 73,-0.2 75,-0.2 -0.786 8.7-168.9-136.2 88.7 -16.1 105.1 -6.7 80 89 A P E -H 91 0C 1 0, 0.0 75,-2.4 0, 0.0 2,-0.3 -0.450 8.8-179.2 -85.6 153.7 -18.6 107.9 -6.3 81 90 A L E -H 90 0C 9 9,-2.5 9,-3.1 73,-0.2 2,-0.5 -0.996 19.3-146.8-151.1 141.7 -18.3 111.4 -4.9 82 91 A Y E -H 89 0C 61 -2,-0.3 2,-0.8 7,-0.2 7,-0.2 -0.951 16.8-145.2-109.2 123.9 -20.7 114.3 -4.4 83 92 A D > - 0 0 0 5,-2.9 4,-3.2 -2,-0.5 5,-0.2 -0.819 8.7-165.2 -92.8 109.3 -19.0 117.7 -4.8 84 93 A A T 4 S+ 0 0 41 -2,-0.8 -1,-0.2 1,-0.2 79,-0.0 0.714 84.2 56.1 -66.7 -22.0 -20.7 120.0 -2.3 85 94 A Q T 4 S+ 0 0 109 78,-0.2 -1,-0.2 1,-0.1 -2,-0.0 0.881 126.4 16.0 -79.5 -37.7 -19.3 123.2 -3.8 86 95 A T T 4 S- 0 0 79 -3,-0.2 -2,-0.2 2,-0.2 3,-0.1 0.668 93.2-127.5-107.2 -24.0 -20.6 122.6 -7.3 87 96 A G < + 0 0 24 -4,-3.2 36,-0.3 1,-0.3 -3,-0.1 0.365 62.0 142.2 89.2 -4.6 -23.2 119.9 -6.7 88 97 A T - 0 0 27 -5,-0.2 -5,-2.9 -6,-0.1 2,-0.4 -0.405 44.9-138.3 -71.9 143.4 -21.6 117.8 -9.4 89 98 A L E -HI 82 120C 1 31,-2.6 31,-2.1 -7,-0.2 2,-0.4 -0.856 12.7-159.0-104.9 140.4 -21.3 114.0 -9.0 90 99 A F E -HI 81 119C 11 -9,-3.1 -9,-2.5 -2,-0.4 2,-0.5 -0.952 7.5-169.6-117.6 135.9 -18.2 112.1 -9.9 91 100 A L E -HI 80 118C 0 27,-2.5 27,-1.5 -2,-0.4 2,-0.3 -0.926 11.7-169.4-124.6 102.8 -18.1 108.4 -10.6 92 101 A F E +HI 79 117C 3 -13,-2.6 -13,-2.4 -2,-0.5 2,-0.3 -0.659 16.1 162.7 -88.1 148.7 -14.5 107.2 -10.8 93 102 A F E - I 0 116C 0 23,-2.3 23,-3.0 -2,-0.3 2,-0.4 -0.975 34.9-111.4-159.3 169.4 -13.9 103.7 -12.1 94 103 A I E -HI 76 115C 2 -18,-2.8 -18,-2.5 -2,-0.3 2,-0.4 -0.860 22.0-161.9-109.7 142.0 -11.4 101.3 -13.5 95 104 A A E +HI 75 114C 0 19,-2.3 19,-2.7 -2,-0.4 -20,-0.2 -0.992 10.3 177.7-127.4 127.9 -11.3 100.0 -17.1 96 105 A I E -H 74 0C 33 -22,-2.2 -22,-3.6 -2,-0.4 17,-0.1 -0.986 39.9 -93.1-130.2 139.3 -9.4 96.9 -18.1 97 106 A P E -H 73 0C 26 0, 0.0 -24,-0.3 0, 0.0 -25,-0.1 -0.168 28.4-133.7 -49.6 138.5 -9.2 95.3 -21.6 98 107 A G S S+ 0 0 39 -26,-2.7 2,-0.3 2,-0.1 -25,-0.1 0.683 87.4 27.9 -68.8 -18.7 -11.8 92.5 -22.0 99 108 A Q S S- 0 0 168 -27,-0.4 2,-0.1 0, 0.0 0, 0.0 -0.927 103.2 -76.1-138.9 162.9 -9.1 90.2 -23.5 100 109 A V - 0 0 95 -2,-0.3 2,-0.1 1,-0.1 -2,-0.1 -0.395 54.8-136.8 -60.0 129.5 -5.4 89.7 -23.3 101 110 A T > - 0 0 37 -2,-0.1 4,-1.6 1,-0.1 5,-0.1 -0.418 19.2-109.9 -87.9 165.3 -3.8 92.5 -25.4 102 111 A E H > S+ 0 0 178 1,-0.2 4,-1.1 2,-0.2 5,-0.2 0.888 121.2 54.8 -59.3 -38.9 -0.8 92.2 -27.8 103 112 A Q H >> S+ 0 0 110 1,-0.2 4,-2.5 2,-0.2 3,-0.6 0.913 107.4 48.9 -61.1 -43.5 1.3 94.1 -25.3 104 113 A Q H 34 S+ 0 0 49 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.776 101.0 64.3 -68.3 -27.2 0.4 91.6 -22.5 105 114 A Q H 3< S+ 0 0 138 -4,-1.6 -1,-0.2 1,-0.2 3,-0.2 0.851 114.3 33.1 -63.5 -33.0 1.3 88.7 -24.8 106 115 A L H << S+ 0 0 145 -4,-1.1 2,-0.5 -3,-0.6 -2,-0.2 0.820 132.1 30.2 -90.3 -38.2 4.9 90.0 -24.8 107 116 A Q >< - 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