==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-APR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/DNA 06-SEP-10 3OR3 . COMPND 2 MOLECULE: RESTRICTION ENDONUCLEASE HPY188I; . SOURCE 2 ORGANISM_SCIENTIFIC: HELICOBACTER PYLORI; . AUTHOR M.SOKOLOWSKA,H.CZAPINSKA,M.BOCHTLER . 346 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17853.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 217 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 . 71 20.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 4 1.2 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 . 22 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 74 21.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 0 0 2 0 2 0 0 0 0 2 0 0 0 2 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 . 2 0 1 1 4 2 2 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 . 2 0 0 0 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 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 H 0 0 117 0, 0.0 10,-0.0 0, 0.0 4,-0.0 0.000 360.0 360.0 360.0 177.0 -9.3 32.0 100.8 2 -1 A E + 0 0 184 2,-0.0 2,-0.1 0, 0.0 0, 0.0 0.573 360.0 85.4-122.7 -17.1 -10.6 35.2 99.2 3 0 A F S S- 0 0 112 1,-0.1 2,-1.1 0, 0.0 0, 0.0 -0.445 86.0-103.1 -85.7 161.1 -10.2 34.8 95.4 4 1 A M - 0 0 176 -2,-0.1 2,-0.1 2,-0.0 -1,-0.1 -0.795 38.9-142.2 -87.3 99.5 -12.6 33.1 93.1 5 2 A A - 0 0 37 -2,-1.1 3,-0.1 1,-0.1 6,-0.0 -0.387 9.9-158.7 -58.2 133.9 -11.0 29.7 92.4 6 3 A K S S+ 0 0 165 1,-0.3 2,-0.3 -2,-0.1 -1,-0.1 0.538 76.7 5.7 -90.2 -9.3 -11.5 28.6 88.8 7 4 A R S > S- 0 0 61 1,-0.1 3,-1.4 0, 0.0 -1,-0.3 -0.970 79.4-100.9-169.7 159.2 -10.9 25.0 89.9 8 5 A K G > S+ 0 0 113 -2,-0.3 3,-1.9 1,-0.3 -1,-0.1 0.797 111.8 65.0 -61.5 -36.1 -10.2 22.8 92.9 9 6 A S G 3 S+ 0 0 8 1,-0.3 -1,-0.3 3,-0.0 336,-0.0 0.651 94.3 62.0 -66.1 -15.4 -6.4 22.6 92.4 10 7 A D G < S+ 0 0 30 -3,-1.4 2,-1.1 1,-0.1 -1,-0.3 0.480 81.1 89.2 -87.7 -2.0 -6.1 26.3 93.1 11 8 A I < - 0 0 60 -3,-1.9 2,-0.3 -4,-0.2 -1,-0.1 -0.760 67.9-166.7 -96.5 88.3 -7.5 25.9 96.6 12 9 A I - 0 0 47 -2,-1.1 2,-0.1 1,-0.1 99,-0.1 -0.573 24.1-114.6 -77.6 133.4 -4.3 25.3 98.5 13 10 A L - 0 0 12 97,-0.3 104,-0.2 -2,-0.3 105,-0.2 -0.461 24.9-162.2 -67.7 142.1 -4.7 23.9 102.1 14 11 A K - 0 0 121 1,-0.2 2,-0.3 -2,-0.1 -1,-0.1 0.681 58.2 -10.8-106.6 -20.7 -3.5 26.4 104.7 15 12 A S S > S- 0 0 43 1,-0.1 3,-1.5 104,-0.0 -1,-0.2 -0.977 74.2 -86.4-167.1 170.7 -3.0 24.4 107.9 16 13 A V G > S+ 0 0 44 102,-0.3 3,-2.6 -2,-0.3 4,-0.2 0.791 116.8 71.1 -58.6 -29.0 -3.6 21.1 109.6 17 14 A D G > S+ 0 0 99 1,-0.3 3,-1.8 2,-0.2 -1,-0.3 0.810 84.7 68.6 -60.8 -25.3 -7.0 22.4 110.7 18 15 A D G < S+ 0 0 58 -3,-1.5 -1,-0.3 1,-0.3 3,-0.3 0.659 97.0 55.1 -65.8 -11.5 -8.0 22.0 107.1 19 16 A L G X S+ 0 0 3 -3,-2.6 3,-2.2 -4,-0.2 -1,-0.3 0.371 73.2 108.3 -97.0 4.2 -7.7 18.2 107.7 20 17 A K T < S+ 0 0 118 -3,-1.8 -1,-0.2 1,-0.3 -2,-0.1 0.747 81.6 43.4 -62.4 -25.4 -10.1 18.1 110.7 21 18 A D T 3 S+ 0 0 106 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.295 91.5 113.3 -99.1 8.1 -12.9 16.3 108.8 22 19 A E S < S- 0 0 15 -3,-2.2 2,-0.4 1,-0.1 53,-0.1 -0.254 76.6 -94.7 -74.3 167.5 -10.5 13.8 107.1 23 20 A I - 0 0 29 51,-0.4 51,-3.2 1,-0.1 2,-0.2 -0.676 38.1-116.1 -85.2 135.6 -10.6 10.1 107.8 24 21 A D B > -A 73 0A 40 -2,-0.4 3,-1.7 49,-0.2 49,-0.3 -0.505 16.8-129.8 -69.6 138.1 -8.1 8.8 110.4 25 22 A Y G > S+ 0 0 24 47,-3.2 3,-2.2 1,-0.3 6,-0.2 0.865 107.9 64.2 -55.6 -38.2 -5.5 6.4 109.0 26 23 A K G 3 S+ 0 0 130 46,-0.3 -1,-0.3 1,-0.3 47,-0.1 0.706 100.6 52.3 -59.4 -22.4 -6.3 3.9 111.8 27 24 A D G < S+ 0 0 94 -3,-1.7 2,-0.4 4,-0.0 -1,-0.3 0.298 79.1 120.7 -92.2 2.7 -9.9 3.6 110.3 28 25 A F X - 0 0 5 -3,-2.2 3,-1.4 -4,-0.1 4,-0.2 -0.615 59.5-146.6 -69.1 121.5 -8.4 2.9 106.8 29 26 A E T 3 S+ 0 0 105 -2,-0.4 3,-0.4 1,-0.3 -1,-0.1 0.792 93.7 47.4 -65.9 -29.8 -9.9 -0.6 105.9 30 27 A Y T >> S+ 0 0 27 1,-0.2 3,-2.1 2,-0.1 4,-0.6 0.257 73.8 117.2 -93.2 13.1 -6.8 -1.8 103.9 31 28 A K G X4 + 0 0 94 -3,-1.4 3,-1.0 1,-0.3 -1,-0.2 0.773 66.8 63.5 -56.7 -30.4 -4.3 -0.7 106.5 32 29 A E G 34 S+ 0 0 160 -3,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.771 101.4 52.3 -64.0 -26.1 -3.1 -4.3 107.1 33 30 A Y G <4 S+ 0 0 102 -3,-2.1 2,-0.3 94,-0.0 95,-0.3 0.603 102.7 75.6 -81.9 -13.6 -1.9 -4.4 103.4 34 31 A F << - 0 0 7 -3,-1.0 2,-0.4 -4,-0.6 93,-0.2 -0.743 58.6-169.1-106.3 149.5 0.2 -1.2 103.9 35 32 A N E -B 126 0A 104 91,-2.3 91,-2.5 -2,-0.3 20,-0.1 -0.988 38.0 -92.7-135.0 145.4 3.5 -0.6 105.7 36 33 A L E +B 125 0A 61 -2,-0.4 89,-0.3 89,-0.2 3,-0.1 -0.351 45.0 172.9 -57.0 128.0 5.3 2.6 106.6 37 34 A L E - 0 0 1 87,-3.2 18,-2.2 1,-0.4 17,-1.9 0.806 51.6 -42.3-107.1 -49.2 7.6 3.5 103.7 38 35 A C E -BC 124 53A 0 86,-1.4 86,-2.8 15,-0.2 -1,-0.4 -0.950 49.6-109.7-165.7 177.6 9.1 6.9 104.5 39 36 A E E -BC 123 52A 47 13,-2.1 13,-2.5 -2,-0.3 2,-0.4 -0.941 19.4-138.5-120.9 154.0 8.3 10.4 105.7 40 37 A L E -BC 122 51A 0 82,-2.4 82,-2.6 -2,-0.3 11,-0.2 -0.941 14.0-158.6-109.6 132.1 8.2 13.6 103.7 41 38 A V E - C 0 50A 41 9,-2.7 9,-3.0 -2,-0.4 80,-0.1 -0.951 15.9-132.3-115.2 112.6 9.8 16.7 105.3 42 39 A P E - C 0 49A 16 0, 0.0 2,-0.4 0, 0.0 7,-0.2 -0.410 17.5-169.6 -61.8 133.8 8.6 20.1 104.0 43 40 A N E >> + C 0 48A 37 5,-3.0 5,-1.7 1,-0.1 4,-0.6 -0.853 5.9 179.9-123.4 92.1 11.5 22.5 103.3 44 41 A N T >45S+ 0 0 79 -2,-0.4 3,-1.0 1,-0.2 -1,-0.1 0.880 78.3 59.5 -65.0 -36.3 9.8 25.8 102.7 45 42 A S T 345S+ 0 0 111 1,-0.3 -1,-0.2 -3,-0.1 -2,-0.0 0.866 116.6 33.7 -59.4 -38.1 13.0 27.7 102.1 46 43 A L T 345S- 0 0 102 -3,-0.4 -1,-0.3 2,-0.2 -2,-0.2 0.354 106.3-126.8 -98.0 5.3 13.8 25.4 99.2 47 44 A E T <<5S+ 0 0 49 -3,-1.0 2,-0.3 -4,-0.6 -3,-0.2 0.928 73.1 98.5 48.5 54.9 10.1 24.9 98.1 48 45 A K E S- 0 0 25 -18,-2.2 3,-2.4 1,-0.2 4,-0.4 -0.588 75.7-179.7 -81.6 76.0 11.5 0.9 104.8 56 53 A E G > S+ 0 0 158 -2,-1.9 3,-1.0 1,-0.3 4,-0.3 0.769 72.4 58.9 -55.4 -36.2 15.0 1.0 103.2 57 54 A K G 3 S+ 0 0 152 1,-0.2 -1,-0.3 -3,-0.2 3,-0.1 0.596 110.0 45.2 -70.4 -13.1 14.7 -2.2 101.2 58 55 A N G X S+ 0 0 26 -3,-2.4 3,-1.1 -21,-0.1 26,-0.3 0.365 80.8 97.0-109.6 3.1 11.7 -0.8 99.4 59 56 A X T < S+ 0 0 20 -3,-1.0 26,-0.7 -4,-0.4 -2,-0.1 0.727 93.9 38.0 -68.0 -23.2 12.9 2.6 98.6 60 57 A K T 3 S+ 0 0 194 -4,-0.3 -1,-0.3 -3,-0.1 2,-0.2 0.319 91.0 118.0-105.0 2.2 13.9 1.5 95.0 61 58 A N < - 0 0 70 -3,-1.1 23,-0.4 21,-0.1 2,-0.4 -0.539 54.5-145.2 -72.4 136.6 10.9 -0.8 94.5 62 59 A E + 0 0 84 -2,-0.2 20,-0.2 21,-0.1 19,-0.1 -0.821 62.2 44.0-108.3 140.2 8.5 0.2 91.7 63 60 A G + 0 0 2 19,-1.0 2,-0.3 17,-0.4 18,-0.2 0.846 69.0 148.7 94.4 86.4 4.7 -0.1 91.5 64 61 A L E -D 80 0A 0 16,-2.4 16,-2.2 18,-0.2 2,-0.4 -0.969 44.8-135.4-146.9 156.4 2.9 1.0 94.6 65 62 A V E -DE 79 127A 0 62,-2.6 62,-2.2 -2,-0.3 2,-0.3 -0.942 35.4-164.5-105.7 137.6 -0.1 2.5 96.1 66 63 A Y E -DE 78 126A 2 12,-2.6 12,-2.4 -2,-0.4 2,-0.4 -0.908 17.9-154.8-126.5 157.1 0.6 5.1 98.7 67 64 A V E -DE 77 125A 0 58,-2.3 58,-2.3 -2,-0.3 2,-0.5 -0.999 11.4-150.1-128.1 122.2 -1.2 7.0 101.5 68 65 A F E -DE 76 124A 0 8,-2.8 7,-2.5 -2,-0.4 8,-1.4 -0.875 20.0-171.2 -90.5 125.8 -0.0 10.4 102.7 69 66 A V E -DE 74 123A 3 54,-2.7 54,-2.7 -2,-0.5 2,-0.5 -0.971 11.0-171.0-125.6 130.4 -0.9 10.8 106.4 70 67 A I E > S-D 73 0A 0 3,-2.4 3,-2.2 -2,-0.4 52,-0.1 -0.981 76.4 -22.3-127.3 117.2 -0.6 14.1 108.4 71 68 A Q T 3 S- 0 0 128 -2,-0.5 -1,-0.1 50,-0.4 3,-0.1 0.898 129.4 -48.1 47.8 49.5 -1.1 13.9 112.2 72 69 A G T 3 S+ 0 0 37 1,-0.2 -47,-3.2 -48,-0.1 -46,-0.3 0.269 115.0 117.3 83.9 -14.1 -3.1 10.7 111.8 73 70 A K E < -AD 24 70A 46 -3,-2.2 -3,-2.4 -49,-0.3 2,-0.7 -0.723 67.8-122.7 -97.8 135.9 -5.3 12.1 109.0 74 71 A I E + D 0 69A 0 -51,-3.2 268,-0.5 -2,-0.3 -51,-0.4 -0.679 34.2 170.6 -74.8 111.8 -5.5 10.6 105.5 75 72 A F E - 0 0 0 -7,-2.5 268,-2.6 -2,-0.7 2,-0.3 0.839 61.7 -5.8 -87.0 -42.5 -4.6 13.5 103.1 76 73 A K E - D 0 68A 19 -8,-1.4 -8,-2.8 267,-0.2 2,-0.4 -0.996 46.0-154.7-156.2 148.3 -4.2 11.6 99.9 77 74 A I E + D 0 67A 2 -2,-0.3 2,-0.2 -10,-0.2 -10,-0.2 -0.987 37.4 142.6-117.5 131.9 -4.2 8.1 98.3 78 75 A G E - D 0 66A 5 -12,-2.4 -12,-2.6 -2,-0.4 2,-0.3 -0.845 32.0-130.8-149.7-168.9 -2.3 7.7 95.0 79 76 A H E - D 0 65A 54 -14,-0.3 2,-0.3 -2,-0.2 -14,-0.2 -0.969 8.4-165.6-149.1 162.8 -0.0 5.4 93.0 80 77 A S E - D 0 64A 11 -16,-2.2 -16,-2.4 -2,-0.3 -17,-0.4 -0.977 23.0-154.6-148.8 140.6 3.2 5.2 91.0 81 78 A I S S+ 0 0 33 -2,-0.3 63,-0.2 -18,-0.2 64,-0.1 0.496 90.7 63.7 -84.4 -4.8 4.8 2.8 88.5 82 79 A T S S- 0 0 39 -20,-0.2 -19,-1.0 1,-0.2 -18,-0.2 -0.476 104.0 -77.4-102.2 177.6 8.1 4.3 89.7 83 80 A P >> - 0 0 10 0, 0.0 4,-1.8 0, 0.0 3,-0.6 -0.355 46.3-105.6 -69.0 160.3 9.8 4.2 93.2 84 81 A I H 3> S+ 0 0 1 -23,-0.4 4,-2.6 -26,-0.3 5,-0.2 0.844 118.4 63.2 -56.1 -34.9 8.5 6.6 95.8 85 82 A T H 3> S+ 0 0 58 -26,-0.7 4,-2.4 1,-0.2 -1,-0.2 0.906 104.9 45.5 -57.5 -41.1 11.6 8.8 95.4 86 83 A K H <> S+ 0 0 122 -3,-0.6 4,-2.3 2,-0.2 -1,-0.2 0.876 110.7 52.2 -73.9 -37.1 10.6 9.6 91.8 87 84 A R H X S+ 0 0 33 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.913 111.0 49.6 -63.6 -37.7 7.0 10.3 92.7 88 85 A V H X S+ 0 0 2 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.928 108.3 51.1 -66.9 -43.4 8.3 12.7 95.4 89 86 A Q H < S+ 0 0 106 -4,-2.4 4,-0.4 1,-0.2 -1,-0.2 0.903 108.1 54.0 -62.1 -36.4 10.5 14.4 92.9 90 87 A S H >< S+ 0 0 45 -4,-2.3 3,-1.9 1,-0.2 -2,-0.2 0.946 106.5 50.8 -59.8 -46.1 7.5 14.7 90.6 91 88 A Y H >< S+ 0 0 0 -4,-2.3 3,-2.6 1,-0.3 -2,-0.2 0.897 100.2 65.1 -55.2 -37.6 5.7 16.4 93.5 92 89 A N T 3< S+ 0 0 6 -4,-2.3 -1,-0.3 1,-0.3 3,-0.2 0.587 87.7 70.5 -64.2 -8.8 8.7 18.7 93.8 93 90 A C T < S+ 0 0 49 -3,-1.9 2,-0.9 -4,-0.4 -1,-0.3 0.546 71.7 93.5 -76.7 -9.2 7.7 20.0 90.4 94 91 A G < + 0 0 0 -3,-2.6 19,-0.2 14,-0.3 -1,-0.2 0.005 57.8 144.0 -77.8 32.3 4.6 21.7 92.0 95 92 A K > - 0 0 56 -2,-0.9 4,-2.4 -3,-0.2 5,-0.2 -0.379 61.8-118.9 -74.9 151.9 6.5 25.0 92.4 96 93 A V H > S+ 0 0 49 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.891 113.7 52.8 -52.4 -46.3 4.8 28.4 92.0 97 94 A E H > S+ 0 0 121 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.889 109.7 47.3 -60.1 -42.7 7.1 29.3 89.2 98 95 A Y H >>S+ 0 0 73 2,-0.2 5,-2.1 1,-0.2 4,-1.4 0.882 110.0 52.8 -70.9 -36.6 6.3 26.1 87.2 99 96 A R H <5S+ 0 0 24 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.898 110.1 48.6 -62.0 -43.0 2.5 26.5 87.8 100 97 A K H <5S+ 0 0 167 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.864 112.5 48.5 -60.4 -41.3 2.9 30.1 86.4 101 98 A N H <5S- 0 0 57 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.717 109.2-129.9 -65.4 -26.9 4.8 28.6 83.4 102 99 A G T <5S+ 0 0 4 -4,-1.4 -3,-0.2 -5,-0.1 174,-0.1 0.671 76.6 116.1 77.0 20.4 2.1 26.0 83.0 103 100 A T < + 0 0 56 -5,-2.1 2,-0.3 -6,-0.1 -4,-0.2 0.586 56.8 68.5-100.0 -12.2 4.7 23.2 83.0 104 101 A C S S- 0 0 12 -6,-0.7 2,-0.1 -9,-0.1 -10,-0.1 -0.705 90.7-101.1 -99.2 157.8 3.8 21.3 86.2 105 102 A S > - 0 0 55 -2,-0.3 4,-1.9 1,-0.1 5,-0.1 -0.455 25.5-124.7 -66.8 149.0 0.6 19.3 86.7 106 103 A T H > S+ 0 0 37 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.851 112.2 58.5 -63.0 -30.8 -2.1 21.0 88.7 107 104 A T H > S+ 0 0 52 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.923 105.0 46.3 -60.0 -52.8 -2.0 18.0 91.0 108 105 A N H > S+ 0 0 9 2,-0.2 4,-2.7 1,-0.2 -14,-0.3 0.894 114.5 49.6 -62.0 -39.4 1.7 18.4 91.8 109 106 A Y H X S+ 0 0 40 -4,-1.9 4,-2.4 2,-0.2 5,-0.3 0.960 111.8 46.8 -60.0 -53.8 1.1 22.1 92.5 110 107 A F H X S+ 0 0 5 -4,-2.8 4,-2.1 1,-0.2 -97,-0.3 0.935 118.5 41.6 -57.0 -46.7 -1.9 21.6 94.7 111 108 A V H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 5,-0.3 0.957 115.8 46.2 -71.6 -47.9 -0.2 18.9 96.8 112 109 A L H X S+ 0 0 0 -4,-2.7 4,-2.5 -5,-0.3 5,-0.2 0.936 116.5 45.0 -60.1 -48.3 3.3 20.5 97.1 113 110 A Q H X S+ 0 0 31 -4,-2.4 4,-2.3 -5,-0.3 -1,-0.2 0.895 114.5 49.1 -66.1 -38.2 1.9 23.9 98.0 114 111 A S H X S+ 0 0 0 -4,-2.1 4,-2.7 -5,-0.3 5,-0.3 0.924 113.1 46.5 -63.4 -47.0 -0.6 22.4 100.5 115 112 A L H X>S+ 0 0 1 -4,-2.8 4,-1.9 2,-0.2 5,-0.6 0.884 113.3 49.3 -65.9 -37.8 2.1 20.2 102.2 116 113 A L H <5S+ 0 0 4 -4,-2.5 -2,-0.2 -5,-0.3 -1,-0.2 0.901 114.3 45.2 -64.9 -42.7 4.5 23.2 102.4 117 114 A K H <5S+ 0 0 121 -4,-2.3 -2,-0.2 -104,-0.2 -1,-0.2 0.899 112.9 48.7 -70.2 -43.1 1.8 25.5 103.9 118 115 A I H <5S- 0 0 9 -4,-2.7 -102,-0.3 -105,-0.2 -1,-0.2 0.909 93.7-163.2 -60.2 -42.8 0.6 22.9 106.3 119 116 A N T <5 + 0 0 88 -4,-1.9 2,-0.3 -5,-0.3 -3,-0.1 0.857 36.4 128.8 63.9 43.0 4.2 22.5 107.1 120 117 A K < - 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