==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 28-APR-05 2BQX . COMPND 2 MOLECULE: INORGANIC PYROPHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HELICOBACTER PYLORI; . AUTHOR T.-C.CHAO,Y.-J.SUN . 166 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8759.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 114 68.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 3.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 46 27.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 17 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 26 15.7 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+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 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 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 0 PARALLEL BRIDGES PER LADDER . 0 1 1 2 1 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 0 0 1 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 7 A E 0 0 229 0, 0.0 2,-0.5 0, 0.0 9,-0.0 0.000 360.0 360.0 360.0 84.9 3.0 44.4 -6.7 2 8 A V - 0 0 57 7,-0.0 2,-0.5 2,-0.0 7,-0.1 -0.578 360.0-153.4 -74.9 119.0 -0.1 43.0 -5.0 3 9 A S - 0 0 37 -2,-0.5 7,-2.1 1,-0.1 -1,-0.0 -0.808 15.3-175.4 -95.7 130.1 0.6 39.5 -3.5 4 10 A H E +A 9 0A 52 -2,-0.5 2,-0.3 5,-0.2 5,-0.2 0.160 38.3 134.0-106.9 14.9 -2.4 37.2 -3.1 5 11 A D E > -A 8 0A 88 3,-0.7 3,-2.6 1,-0.2 -2,-0.1 -0.534 58.5-136.8 -69.8 126.1 -0.4 34.5 -1.3 6 12 A A T 3 S+ 0 0 15 -2,-0.3 76,-2.8 1,-0.3 3,-0.3 0.760 106.9 44.8 -53.3 -29.6 -2.3 33.3 1.7 7 13 A D T 3 S+ 0 0 80 74,-0.2 -1,-0.3 1,-0.2 74,-0.1 0.238 130.6 22.3-100.7 11.0 0.9 33.3 3.7 8 14 A S E < S+A 5 0A 26 -3,-2.6 -3,-0.7 95,-0.1 2,-0.3 -0.156 80.2 155.2-171.7 61.6 2.0 36.7 2.4 9 15 A L E -AB 4 80A 0 71,-2.2 71,-2.9 -3,-0.3 2,-0.3 -0.755 44.0-111.8 -99.9 145.6 -0.9 38.8 1.1 10 16 A C E - B 0 79A 14 -7,-2.1 2,-0.5 -2,-0.3 69,-0.2 -0.550 29.9-169.4 -77.3 133.7 -0.9 42.5 0.9 11 17 A V E - B 0 78A 0 67,-2.0 67,-2.6 -2,-0.3 2,-0.7 -0.986 13.8-147.7-126.7 121.3 -3.2 44.4 3.2 12 18 A V E -CB 50 77A 14 38,-2.8 38,-1.7 -2,-0.5 2,-0.3 -0.808 23.7-134.7 -87.8 114.8 -3.9 48.1 2.8 13 19 A I E +C 49 0A 0 63,-2.6 62,-3.4 -2,-0.7 36,-0.3 -0.561 36.6 162.1 -75.1 128.8 -4.4 49.5 6.3 14 20 A E E + 0 0 12 34,-3.4 9,-1.4 -2,-0.3 2,-0.4 0.552 68.7 41.1-117.4 -19.8 -7.4 51.9 6.7 15 21 A I E S-C 48 0A 0 33,-2.3 33,-2.7 7,-0.2 -1,-0.3 -0.995 75.2-140.2-134.9 127.8 -7.9 51.8 10.5 16 22 A S > - 0 0 26 -2,-0.4 3,-2.2 5,-0.4 28,-0.3 -0.665 36.4 -93.7 -88.6 140.5 -5.1 51.8 13.0 17 23 A K T 3 S+ 0 0 38 -2,-0.3 30,-0.1 1,-0.3 -1,-0.1 -0.194 110.6 16.2 -51.1 140.1 -5.3 49.6 16.1 18 24 A H T 3 S+ 0 0 112 26,-3.1 -1,-0.3 1,-0.3 2,-0.1 0.232 98.0 124.4 78.6 -11.4 -6.8 51.4 19.1 19 25 A S < - 0 0 31 -3,-2.2 25,-2.7 25,-0.1 -1,-0.3 -0.399 52.2-157.1 -78.6 156.3 -8.2 54.2 16.9 20 26 A N S S+ 0 0 69 23,-0.2 18,-2.5 -3,-0.1 2,-0.6 0.127 70.8 93.2-114.1 16.0 -11.9 55.2 16.9 21 27 A I E -H 37 0B 47 16,-0.2 2,-0.6 -5,-0.2 -5,-0.4 -0.939 61.5-156.8-115.5 118.2 -11.5 56.8 13.4 22 28 A K E -H 36 0B 39 14,-3.4 13,-2.4 -2,-0.6 14,-2.0 -0.826 12.3-168.9 -94.4 122.6 -12.3 54.7 10.4 23 29 A Y E -H 34 0B 65 -9,-1.4 2,-0.3 -2,-0.6 11,-0.2 -0.634 5.6-155.4-102.3 165.8 -10.6 55.9 7.2 24 30 A E E -H 33 0B 81 9,-2.4 9,-2.4 -2,-0.2 2,-0.3 -0.922 13.6-132.0-147.5 118.7 -11.4 54.6 3.7 25 31 A L E -H 32 0B 50 -2,-0.3 2,-0.6 7,-0.2 7,-0.2 -0.508 18.3-134.6 -73.5 131.8 -9.0 54.7 0.7 26 32 A D >> - 0 0 44 5,-2.6 4,-1.8 -2,-0.3 2,-1.7 -0.772 10.6-142.3 -87.4 121.9 -10.5 56.1 -2.5 27 33 A K T 34 S+ 0 0 174 -2,-0.6 -1,-0.1 1,-0.2 -2,-0.0 -0.439 91.8 42.5 -85.4 65.6 -9.5 53.9 -5.5 28 34 A E T 34 S+ 0 0 164 -2,-1.7 -1,-0.2 3,-0.1 -3,-0.0 0.228 125.6 24.6-174.5 -21.6 -9.0 56.6 -8.1 29 35 A S T <4 S- 0 0 77 -3,-0.8 -2,-0.2 2,-0.1 3,-0.1 0.420 92.5-124.9-132.1 -12.2 -7.0 59.3 -6.2 30 36 A G < + 0 0 52 -4,-1.8 2,-0.3 1,-0.3 -3,-0.1 0.654 56.0 159.0 71.5 13.4 -5.4 57.3 -3.5 31 37 A A - 0 0 37 -5,-0.3 -5,-2.6 1,-0.1 2,-1.0 -0.548 42.3-135.9 -75.5 131.3 -7.0 59.8 -1.1 32 38 A L E -H 25 0B 67 -2,-0.3 2,-0.3 -7,-0.2 -7,-0.2 -0.780 28.5-157.6 -87.1 104.4 -7.4 58.5 2.5 33 39 A M E -H 24 0B 97 -9,-2.4 -9,-2.4 -2,-1.0 2,-0.7 -0.663 19.2-124.3 -90.5 139.3 -10.9 59.6 3.3 34 40 A V E +H 23 0B 99 -2,-0.3 -11,-0.2 -11,-0.2 3,-0.1 -0.717 39.2 170.4 -77.3 117.6 -12.2 60.1 6.9 35 41 A D E - 0 0 63 -13,-2.4 2,-0.3 -2,-0.7 -12,-0.2 0.844 50.8 -9.2-101.4 -42.9 -15.2 57.8 6.8 36 42 A R E -H 22 0B 73 -14,-2.0 -14,-3.4 2,-0.0 2,-0.5 -0.987 41.3-147.7-161.2 146.5 -16.5 57.5 10.4 37 43 A V E -H 21 0B 76 -2,-0.3 -16,-0.2 -16,-0.2 -17,-0.0 -0.983 47.9-104.5-113.5 121.3 -15.8 58.3 14.0 38 44 A L - 0 0 13 -18,-2.5 97,-0.1 -2,-0.5 4,-0.1 -0.134 20.2-145.1 -47.0 135.0 -17.2 55.6 16.2 39 45 A Y S S+ 0 0 125 95,-0.4 -1,-0.1 2,-0.1 2,-0.1 0.788 78.8 59.6 -73.6 -29.4 -20.4 56.7 18.0 40 46 A G S S- 0 0 18 94,-0.3 2,-2.2 1,-0.1 94,-0.0 -0.445 101.2 -93.1 -99.5 173.4 -19.5 54.7 21.1 41 47 A A S S+ 0 0 113 -2,-0.1 2,-0.3 2,-0.0 -2,-0.1 -0.509 86.4 114.3 -82.1 70.3 -16.7 54.7 23.6 42 48 A Q - 0 0 44 -2,-2.2 2,-0.3 92,-0.1 -4,-0.1 -0.813 49.0-154.9-135.3 173.2 -14.8 52.0 21.7 43 49 A N - 0 0 83 -2,-0.3 -23,-0.2 -23,-0.1 -24,-0.1 -0.988 37.9 -89.6-152.1 144.4 -11.6 51.5 19.7 44 50 A Y - 0 0 6 -25,-2.7 -26,-3.1 -2,-0.3 -25,-0.1 -0.354 28.9-146.8 -59.3 125.5 -10.6 49.0 17.0 45 51 A P S S+ 0 0 21 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.467 77.9 10.5 -72.6 -2.2 -9.2 45.9 18.5 46 52 A A S S- 0 0 0 -30,-0.1 21,-0.2 21,-0.1 2,-0.2 -0.968 93.9 -76.9-162.6 170.9 -6.8 45.4 15.6 47 53 A N E - D 0 66A 0 19,-1.7 19,-2.8 -2,-0.3 2,-0.4 -0.528 53.0-155.6 -73.3 148.8 -5.4 47.1 12.5 48 54 A Y E +CD 15 65A 11 -33,-2.7 -34,-3.4 17,-0.2 -33,-2.3 -0.991 27.7 121.9-135.1 138.3 -8.0 46.9 9.8 49 55 A G E -CD 13 64A 0 15,-2.6 15,-2.5 -2,-0.4 2,-0.3 -0.839 43.5 -93.8-164.3-158.4 -7.8 47.1 6.0 50 56 A F E -CD 12 63A 29 -38,-1.7 -38,-2.8 13,-0.3 13,-0.2 -0.929 26.0-115.3-138.0 162.3 -8.5 45.4 2.7 51 57 A V - 0 0 0 11,-2.2 3,-0.4 -2,-0.3 11,-0.4 -0.883 38.7-124.3-100.9 117.6 -6.8 43.1 0.2 52 58 A P S S+ 0 0 20 0, 0.0 -42,-0.1 0, 0.0 3,-0.1 -0.142 87.2 21.9 -57.7 152.6 -6.2 44.9 -3.2 53 59 A N S S+ 0 0 62 1,-0.2 2,-0.3 112,-0.1 112,-0.1 0.880 98.6 112.5 56.6 43.7 -7.6 43.4 -6.4 54 60 A T - 0 0 1 -3,-0.4 2,-0.4 111,-0.1 -1,-0.2 -0.912 56.4-144.0-137.3 163.6 -10.2 41.2 -4.7 55 61 A L - 0 0 60 106,-1.7 109,-0.2 -2,-0.3 110,-0.1 -0.913 20.9-168.7-136.6 106.5 -14.0 41.3 -4.7 56 62 A G > - 0 0 10 4,-2.9 3,-1.9 -2,-0.4 6,-0.1 -0.130 43.3 -78.6 -84.5-176.0 -15.8 40.4 -1.5 57 63 A S T 3 S+ 0 0 84 1,-0.3 37,-0.1 2,-0.1 38,-0.1 0.816 127.4 48.1 -52.6 -39.5 -19.4 39.7 -0.7 58 64 A D T 3 S- 0 0 85 2,-0.2 -1,-0.3 3,-0.1 37,-0.0 0.283 120.9-100.6 -90.1 11.8 -20.5 43.4 -0.6 59 65 A G S < S+ 0 0 38 -3,-1.9 -2,-0.1 1,-0.3 3,-0.1 0.442 93.7 101.5 87.4 -2.9 -18.8 44.3 -3.9 60 66 A D S S- 0 0 90 1,-0.2 -4,-2.9 -5,-0.1 -1,-0.3 -0.731 88.7 -73.2-110.5 162.6 -15.8 45.9 -2.2 61 67 A P - 0 0 40 0, 0.0 -6,-0.2 0, 0.0 -1,-0.2 -0.170 65.6 -89.9 -51.0 148.9 -12.3 44.4 -1.7 62 68 A V - 0 0 1 -11,-0.4 -11,-2.2 96,-0.1 2,-0.2 -0.395 45.8-124.8 -65.2 137.2 -12.3 41.7 1.0 63 69 A D E -De 50 97A 19 33,-0.6 35,-2.6 -13,-0.2 2,-0.3 -0.504 25.7-169.8 -84.5 153.1 -11.6 43.0 4.5 64 70 A A E -De 49 98A 0 -15,-2.5 -15,-2.6 33,-0.2 2,-0.5 -1.000 16.9-147.0-145.2 139.6 -8.9 41.9 6.8 65 71 A L E -De 48 99A 0 33,-3.3 35,-2.8 -2,-0.3 2,-0.7 -0.894 14.6-154.7-101.9 133.3 -8.0 42.4 10.4 66 72 A V E -De 47 100A 0 -19,-2.8 -19,-1.7 -2,-0.5 2,-0.3 -0.916 11.0-151.3-112.8 103.2 -4.3 42.4 11.1 67 73 A L + 0 0 14 33,-2.9 2,-0.3 -2,-0.7 43,-0.1 -0.547 33.9 139.2 -75.0 135.3 -3.6 41.4 14.7 68 74 A S - 0 0 6 -2,-0.3 -21,-0.0 33,-0.1 -2,-0.0 -0.973 61.4-117.8-166.1 163.1 -0.5 42.9 16.2 69 75 A D S S+ 0 0 94 -2,-0.3 2,-0.3 -23,-0.0 -1,-0.1 0.685 99.4 60.8 -83.6 -17.7 0.8 44.4 19.4 70 76 A V S S- 0 0 73 -3,-0.0 2,-0.5 -23,-0.0 -23,-0.2 -0.722 83.5-120.1-110.0 160.1 1.5 47.6 17.5 71 77 A A - 0 0 50 -2,-0.3 2,-0.3 -55,-0.1 -55,-0.1 -0.865 23.6-147.0 -99.9 123.9 -0.7 50.0 15.5 72 78 A F - 0 0 39 -2,-0.5 -55,-0.1 -57,-0.2 2,-0.1 -0.696 29.2 -99.6 -90.6 143.2 0.1 50.5 11.8 73 79 A Q > - 0 0 160 -2,-0.3 3,-2.4 1,-0.1 -60,-0.2 -0.350 39.6-106.6 -63.3 131.5 -0.4 53.9 10.2 74 80 A A T 3 S+ 0 0 17 1,-0.3 -60,-0.2 -60,-0.1 -1,-0.1 -0.342 109.1 32.8 -57.4 136.3 -3.6 54.3 8.2 75 81 A G T 3 S+ 0 0 41 -62,-3.4 -1,-0.3 1,-0.4 -61,-0.1 0.199 94.2 113.5 100.1 -17.1 -2.6 54.3 4.5 76 82 A S < - 0 0 43 -3,-2.4 -63,-2.6 -63,-0.1 2,-0.4 -0.352 60.5-130.6 -83.7 170.6 0.4 51.9 4.9 77 83 A V E -B 12 0A 90 -65,-0.2 2,-0.4 -3,-0.1 -65,-0.2 -0.986 19.9-170.4-126.0 129.0 0.6 48.4 3.5 78 84 A V E -B 11 0A 7 -67,-2.6 -67,-2.0 -2,-0.4 2,-0.5 -0.957 22.6-130.1-122.8 138.1 1.6 45.3 5.4 79 85 A K E +B 10 0A 107 -2,-0.4 24,-2.3 -69,-0.2 -69,-0.2 -0.748 42.0 175.6 -83.5 125.2 2.3 41.8 4.1 80 86 A A E -BF 9 102A 0 -71,-2.9 -71,-2.2 -2,-0.5 2,-0.4 -0.703 27.7-134.6-126.5 176.1 0.3 39.4 6.2 81 87 A R E - F 0 101A 23 20,-2.5 20,-1.9 -73,-0.2 -74,-0.2 -0.997 27.3-115.7-134.5 139.0 -0.6 35.8 6.6 82 88 A L E + F 0 100A 0 -76,-2.8 18,-0.2 -2,-0.4 69,-0.1 -0.445 35.6 161.8 -75.5 144.9 -4.0 34.3 7.2 83 89 A V E - 0 0 0 16,-2.4 33,-1.6 1,-0.4 68,-0.6 0.353 66.4 -37.0-135.6 -7.7 -5.0 32.3 10.3 84 90 A G E -GF 150 99A 0 15,-1.3 15,-2.9 66,-0.2 -1,-0.4 -0.992 52.3-106.8 172.0-170.9 -8.8 32.5 10.1 85 91 A V E -GF 149 98A 0 64,-2.1 64,-2.6 -2,-0.3 2,-0.5 -0.994 14.2-141.0-150.2 144.3 -12.0 34.4 9.2 86 92 A L E -GF 148 97A 0 11,-2.9 11,-2.3 -2,-0.3 2,-0.4 -0.939 18.4-156.0-110.0 120.8 -14.8 36.1 11.2 87 93 A N E +GF 147 96A 31 60,-2.6 59,-2.8 -2,-0.5 60,-1.3 -0.802 22.4 158.4 -99.1 134.4 -18.3 35.7 9.8 88 94 A M E -GF 145 95A 2 7,-2.4 7,-2.9 -2,-0.4 2,-0.4 -0.985 31.8-134.6-151.0 160.1 -21.0 38.2 10.6 89 95 A E E +GF 144 94A 59 55,-2.9 55,-3.5 -2,-0.3 5,-0.2 -0.962 25.6 173.9-119.5 132.1 -24.4 39.5 9.3 90 96 A D E > -GF 143 93A 20 3,-2.9 3,-0.9 -2,-0.4 53,-0.2 -0.620 53.5 -78.6-122.8-172.9 -25.2 43.1 9.1 91 97 A E T 3 S+ 0 0 57 51,-0.9 3,-0.1 1,-0.2 52,-0.1 0.669 130.1 48.5 -63.1 -15.8 -28.2 45.1 7.7 92 98 A S T 3 S- 0 0 101 1,-0.3 2,-0.3 0, 0.0 -1,-0.2 0.626 120.5 -93.6 -98.5 -17.1 -26.8 44.7 4.1 93 99 A G E < S- F 0 90A 29 -3,-0.9 -3,-2.9 2,-0.0 -1,-0.3 -0.957 70.7 -8.7 139.8-158.7 -26.1 40.9 4.3 94 100 A M E - F 0 89A 99 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.430 57.2-173.9 -76.1 149.3 -23.3 38.6 5.1 95 101 A D E - F 0 88A 12 -7,-2.9 -7,-2.4 -2,-0.1 2,-0.4 -0.987 9.6-155.7-143.0 149.2 -19.8 39.9 5.7 96 102 A E E - F 0 87A 15 -2,-0.3 -33,-0.6 -9,-0.2 2,-0.5 -0.979 1.7-163.3-128.8 139.9 -16.5 38.3 6.2 97 103 A K E -eF 63 86A 6 -11,-2.3 -11,-2.9 -2,-0.4 -33,-0.2 -0.964 19.6-137.9-124.6 112.6 -13.4 39.7 7.9 98 104 A L E -eF 64 85A 0 -35,-2.6 -33,-3.3 -2,-0.5 2,-0.6 -0.419 15.2-139.8 -65.7 143.6 -10.2 37.8 7.2 99 105 A I E +eF 65 84A 0 -15,-2.9 -16,-2.4 -35,-0.2 -15,-1.3 -0.945 35.3 161.2-109.4 120.3 -8.1 37.4 10.4 100 106 A A E -eF 66 82A 0 -35,-2.8 -33,-2.9 -2,-0.6 -18,-0.2 -0.845 31.0-148.8-137.0 172.7 -4.4 37.9 9.8 101 107 A L E - F 0 81A 4 -20,-1.9 -20,-2.5 -2,-0.3 -33,-0.1 -0.943 39.8 -94.2-136.1 153.3 -1.0 38.6 11.3 102 108 A P E - F 0 80A 6 0, 0.0 -22,-0.3 0, 0.0 8,-0.1 -0.358 55.7 -94.0 -64.5 154.6 2.0 40.4 9.8 103 109 A I >> - 0 0 22 -24,-2.3 4,-2.0 1,-0.1 3,-1.6 -0.378 35.5-110.2 -67.6 152.9 4.5 38.0 8.2 104 110 A D T 34 S+ 0 0 69 1,-0.3 -1,-0.1 2,-0.2 7,-0.1 0.778 116.7 65.1 -54.3 -30.2 7.3 36.8 10.5 105 111 A K T 34 S+ 0 0 194 1,-0.2 -1,-0.3 2,-0.2 -2,-0.0 0.850 110.1 38.3 -62.8 -32.5 9.8 38.8 8.5 106 112 A I T <4 S- 0 0 83 -3,-1.6 -2,-0.2 1,-0.3 -1,-0.2 0.920 142.4 -11.3 -82.4 -50.0 8.0 42.0 9.6 107 113 A D < - 0 0 34 -4,-2.0 3,-0.4 1,-0.0 -1,-0.3 -0.831 52.8-172.1-156.5 111.5 7.2 41.0 13.2 108 114 A P > + 0 0 75 0, 0.0 3,-2.4 0, 0.0 4,-0.3 0.329 54.1 115.5 -87.4 8.1 7.6 37.5 14.6 109 115 A T T 3 S+ 0 0 65 1,-0.3 3,-0.3 2,-0.1 -41,-0.1 0.865 89.2 26.9 -44.4 -48.3 5.9 38.4 17.9 110 116 A H T > S+ 0 0 37 -3,-0.4 3,-2.1 1,-0.2 -1,-0.3 -0.108 78.0 129.7-110.1 37.3 3.0 36.0 17.2 111 117 A S T < + 0 0 41 -3,-2.4 -1,-0.2 1,-0.3 -2,-0.1 0.739 67.0 68.5 -60.5 -21.4 4.8 33.5 14.9 112 118 A Y T 3 S+ 0 0 141 -3,-0.3 2,-0.9 -4,-0.3 -1,-0.3 0.654 76.3 94.1 -72.7 -16.7 3.4 30.8 17.2 113 119 A V < + 0 0 0 -3,-2.1 3,-0.1 1,-0.2 -3,-0.1 -0.707 41.0 155.4 -81.6 107.4 -0.1 31.5 15.9 114 120 A K + 0 0 126 -2,-0.9 2,-0.3 1,-0.3 -1,-0.2 0.684 64.5 11.3-103.1 -27.3 -0.6 29.1 13.1 115 121 A D S > S- 0 0 42 35,-0.1 3,-2.7 36,-0.1 4,-0.4 -0.946 87.6 -90.2-148.2 164.9 -4.4 28.8 13.1 116 122 A I G > S+ 0 0 17 -33,-1.6 3,-1.8 1,-0.3 -32,-0.1 0.839 120.2 61.2 -46.7 -42.8 -7.4 30.6 14.6 117 123 A D G 3 S+ 0 0 112 1,-0.3 -1,-0.3 -34,-0.1 4,-0.1 0.622 91.9 67.5 -64.4 -12.5 -7.4 28.3 17.7 118 124 A D G < S+ 0 0 62 -3,-2.7 -1,-0.3 -35,-0.1 -2,-0.2 0.664 83.1 90.1 -81.4 -15.8 -3.9 29.5 18.6 119 125 A L S < S- 0 0 20 -3,-1.8 2,-0.0 -4,-0.4 -5,-0.0 -0.525 92.2 -98.0 -77.7 147.6 -5.3 32.9 19.4 120 126 A S > - 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