==== 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 INORGANIC PYROPHOSPHATASE 10-JAN-96 1FAJ . COMPND 2 MOLECULE: SOLUBLE INORGANIC PYROPHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.A.KANKARE,T.SALMINEN,A.GOLDMAN . 168 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8481.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 109 64.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 2.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 41 24.4 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 . 2 1.2 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 . 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 . 15 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 27 16.1 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 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 0 PARALLEL BRIDGES PER LADDER . 1 0 1 2 2 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 S > 0 0 91 0, 0.0 3,-1.6 0, 0.0 36,-0.1 0.000 360.0 360.0 360.0-177.5 2.5 3.0 10.4 2 2 A L G > + 0 0 32 35,-0.3 3,-1.6 1,-0.3 35,-0.1 0.789 360.0 71.9 -65.3 -22.7 5.4 4.1 12.6 3 3 A L G 3 S+ 0 0 50 1,-0.3 -1,-0.3 33,-0.1 34,-0.1 0.813 95.5 53.8 -67.1 -17.0 7.6 3.6 9.5 4 4 A N G < S+ 0 0 117 -3,-1.6 -1,-0.3 55,-0.0 -2,-0.2 0.325 75.7 120.2-100.6 9.3 6.0 6.7 8.0 5 5 A V < - 0 0 21 -3,-1.6 13,-0.1 -4,-0.1 11,-0.0 -0.525 64.9-118.3 -75.0 135.5 6.6 9.2 10.8 6 6 A P - 0 0 64 0, 0.0 53,-0.4 0, 0.0 10,-0.1 -0.215 16.2-118.5 -67.8 164.9 8.6 12.3 9.7 7 7 A A S S- 0 0 5 1,-0.3 9,-2.1 51,-0.1 2,-0.3 0.776 82.1 -50.0 -74.1 -29.0 11.9 13.0 11.3 8 8 A G - 0 0 17 7,-0.3 -1,-0.3 1,-0.1 7,-0.3 -0.947 44.2-101.2 170.5 170.5 10.5 16.3 12.5 9 9 A K S S+ 0 0 126 -2,-0.3 6,-0.2 5,-0.2 -1,-0.1 0.860 115.8 7.5 -80.0 -39.9 8.6 19.4 11.6 10 10 A D B >> S-A 14 0A 102 4,-1.7 4,-2.2 -3,-0.1 3,-1.2 -0.543 99.0-120.1-146.8 71.5 11.6 21.6 11.4 11 11 A L T 34 S+ 0 0 45 1,-0.3 4,-0.1 -3,-0.3 -3,-0.1 -0.225 86.8 9.2 -53.0 138.3 14.9 19.6 11.7 12 12 A P T 34 S+ 0 0 20 0, 0.0 -1,-0.3 0, 0.0 3,-0.2 -0.951 134.8 43.3 -95.9 2.2 17.0 19.9 13.9 13 13 A E T <4 S+ 0 0 98 -3,-1.2 2,-0.6 1,-0.2 -2,-0.2 0.883 120.0 34.8 -73.8 -40.5 15.0 22.3 16.0 14 14 A D B < S+A 10 0A 15 -4,-2.2 -4,-1.7 74,-0.1 2,-0.3 -0.950 78.5 161.8-121.6 106.5 11.6 20.6 15.9 15 15 A I E -B 87 0B 0 72,-2.4 72,-2.7 -2,-0.6 2,-0.4 -0.845 33.7-132.0-122.8 168.1 11.7 16.8 15.8 16 16 A Y E -B 86 0B 55 -9,-2.1 2,-0.4 -2,-0.3 43,-0.4 -0.946 18.9-156.9-117.4 136.4 9.5 13.8 16.4 17 17 A V E -B 85 0B 0 68,-2.5 68,-2.0 -2,-0.4 2,-0.6 -0.955 10.5-140.8-115.5 130.7 10.7 10.9 18.5 18 18 A V E -BC 84 57B 0 39,-3.0 39,-1.6 -2,-0.4 2,-0.3 -0.839 25.7-133.9 -90.7 121.0 9.2 7.4 18.2 19 19 A I E + C 0 56B 0 64,-3.0 63,-3.7 -2,-0.6 37,-0.3 -0.594 36.8 161.5 -82.3 130.0 9.0 6.0 21.7 20 20 A E E S+ 0 0 17 35,-3.0 36,-0.2 -2,-0.3 10,-0.2 0.674 71.4 28.2-110.2 -41.0 10.1 2.4 22.4 21 21 A I E S- C 0 55B 4 34,-2.0 34,-3.1 8,-0.1 -1,-0.3 -0.985 77.3-138.0-127.8 120.1 10.7 2.2 26.2 22 22 A P > - 0 0 17 0, 0.0 3,-1.0 0, 0.0 29,-0.3 -0.354 36.1 -88.0 -72.7 161.1 8.7 4.4 28.7 23 23 A A T 3 S+ 0 0 10 1,-0.3 31,-0.1 50,-0.1 30,-0.1 -0.402 108.1 6.1 -64.7 142.6 10.3 6.1 31.6 24 24 A N T 3 S+ 0 0 101 27,-2.5 -1,-0.3 29,-0.2 2,-0.1 0.777 94.5 143.7 58.7 36.4 10.3 3.9 34.7 25 25 A A < - 0 0 36 -3,-1.0 26,-0.2 26,-0.2 -1,-0.2 -0.468 58.9 -73.6-104.1 177.2 9.0 0.7 33.2 26 26 A D - 0 0 129 1,-0.1 2,-2.5 -2,-0.1 -1,-0.2 -0.221 63.3 -91.9 -59.7 153.2 9.7 -2.9 33.7 27 27 A P S S+ 0 0 55 0, 0.0 18,-2.7 0, 0.0 2,-0.6 -0.128 80.2 131.1 -68.3 48.9 13.0 -4.0 32.2 28 28 A I E -H 44 0C 40 -2,-2.5 2,-0.7 16,-0.2 16,-0.2 -0.910 45.7-151.2-105.6 124.9 11.7 -5.0 28.7 29 29 A K E -H 43 0C 35 14,-2.8 13,-2.5 -2,-0.6 14,-1.7 -0.865 20.3-178.3 -96.8 111.9 13.7 -3.5 25.8 30 30 A Y E -H 41 0C 57 -2,-0.7 2,-0.3 11,-0.2 11,-0.2 -0.714 7.0-171.2-105.8 165.0 11.4 -3.1 22.7 31 31 A E E -H 40 0C 71 9,-2.1 9,-3.0 -2,-0.3 2,-0.5 -0.986 29.8-109.4-150.4 152.3 12.3 -1.8 19.3 32 32 A I E -H 39 0C 13 -2,-0.3 2,-0.5 7,-0.2 7,-0.2 -0.766 35.8-126.2 -86.8 126.0 10.3 -0.9 16.3 33 33 A D > - 0 0 38 5,-2.8 4,-2.8 -2,-0.5 5,-0.3 -0.619 8.3-145.7 -72.3 118.1 10.8 -3.5 13.5 34 34 A K T 4 S+ 0 0 136 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.0 0.764 96.2 53.3 -59.7 -21.3 11.9 -1.8 10.2 35 35 A E T 4 S+ 0 0 171 3,-0.1 -1,-0.2 1,-0.1 -3,-0.0 0.950 126.7 11.0 -82.1 -49.4 10.0 -4.3 8.3 36 36 A S T 4 S- 0 0 69 2,-0.2 -2,-0.2 -3,-0.1 -33,-0.1 0.629 88.6-123.4-102.7 -18.1 6.4 -4.2 9.8 37 37 A G < + 0 0 11 -4,-2.8 -35,-0.3 1,-0.3 2,-0.2 0.526 67.6 140.3 82.4 9.5 6.5 -1.1 12.0 38 38 A A - 0 0 41 -5,-0.3 -5,-2.8 -6,-0.1 2,-0.6 -0.536 62.1-105.3 -89.7 154.0 5.5 -3.4 14.8 39 39 A L E -H 32 0C 65 -7,-0.2 2,-0.4 -2,-0.2 -7,-0.2 -0.674 41.1-167.3 -78.9 114.8 6.8 -3.3 18.4 40 40 A F E -H 31 0C 91 -9,-3.0 -9,-2.1 -2,-0.6 2,-0.8 -0.834 27.5-118.3-106.3 140.1 9.3 -6.2 18.9 41 41 A V E -H 30 0C 79 -2,-0.4 -11,-0.2 -11,-0.2 3,-0.1 -0.671 33.0-179.3 -77.1 109.5 10.7 -7.5 22.2 42 42 A D E - 0 0 56 -13,-2.5 2,-0.3 -2,-0.8 -12,-0.2 0.867 57.2 -35.1 -77.6 -41.8 14.4 -6.9 21.6 43 43 A R E -H 29 0C 62 -14,-1.7 -14,-2.8 -3,-0.1 2,-0.6 -0.971 47.9-111.6-176.9 156.5 15.6 -8.2 25.0 44 44 A F E -H 28 0C 143 -2,-0.3 -16,-0.2 -16,-0.2 2,-0.1 -0.921 43.8-124.9-100.1 122.4 14.9 -8.6 28.6 45 45 A M - 0 0 15 -18,-2.7 96,-0.1 -2,-0.6 95,-0.0 -0.444 13.2-152.6 -66.2 140.8 17.4 -6.5 30.5 46 46 A S + 0 0 63 94,-0.3 2,-0.1 -2,-0.1 -1,-0.1 0.742 69.6 78.4 -87.8 -26.8 19.4 -8.4 33.1 47 47 A T S S- 0 0 15 93,-0.6 2,-1.7 1,-0.1 93,-0.1 -0.459 87.6-116.4 -81.1 154.0 20.2 -5.6 35.6 48 48 A A S S+ 0 0 111 -2,-0.1 2,-0.3 2,-0.0 -1,-0.1 -0.508 77.5 116.0 -86.7 62.1 17.6 -4.3 38.1 49 49 A M - 0 0 40 -2,-1.7 2,-0.3 91,-0.1 -4,-0.1 -0.922 50.2-152.9-129.4 157.1 17.6 -0.9 36.5 50 50 A F - 0 0 99 -2,-0.3 -24,-0.1 -23,-0.1 -27,-0.1 -0.951 33.8 -97.2-129.5 152.7 14.9 1.2 34.7 51 51 A Y - 0 0 8 -2,-0.3 -27,-2.5 -29,-0.3 -26,-0.2 -0.497 28.7-145.8 -66.3 128.2 15.3 3.8 32.0 52 52 A P S S+ 0 0 16 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.667 79.7 19.7 -71.7 -13.2 15.2 7.2 33.7 53 53 A C S S- 0 0 2 -31,-0.1 -29,-0.2 21,-0.1 2,-0.1 -0.870 102.3 -74.6-141.8 172.1 13.4 8.9 30.8 54 54 A N E - D 0 73B 0 19,-1.7 19,-2.6 -2,-0.3 2,-0.4 -0.484 50.8-147.0 -71.8 140.3 11.3 7.7 27.8 55 55 A Y E +CD 21 72B 12 -34,-3.1 -35,-3.0 17,-0.2 -34,-2.0 -0.958 35.1 123.9-116.4 133.4 13.6 6.2 25.2 56 56 A G E -CD 19 71B 0 15,-2.4 15,-1.7 -2,-0.4 2,-0.3 -0.758 41.3-111.7-159.9-157.5 13.1 6.4 21.4 57 57 A Y E -CD 18 70B 14 -39,-1.6 -39,-3.0 13,-0.3 2,-0.6 -0.926 24.6-108.2-150.6 165.4 14.6 7.4 18.1 58 58 A I - 0 0 0 11,-1.8 3,-0.5 -2,-0.3 11,-0.3 -0.904 39.0-129.4 -99.5 124.6 14.2 9.9 15.2 59 59 A N S S+ 0 0 21 -2,-0.6 -43,-0.1 -53,-0.4 3,-0.1 -0.395 87.0 31.4 -70.8 151.7 12.8 8.2 12.1 60 60 A H S S+ 0 0 93 1,-0.3 2,-0.3 -57,-0.1 109,-0.2 0.876 96.1 104.8 71.8 35.6 14.7 8.8 8.9 61 61 A T - 0 0 6 -3,-0.5 2,-0.4 108,-0.1 -1,-0.3 -0.950 47.5-164.6-140.9 161.2 18.1 9.2 10.4 62 62 A L - 0 0 56 103,-1.7 106,-0.2 -2,-0.3 2,-0.2 -0.969 3.0-166.7-153.8 124.7 21.1 7.0 10.5 63 63 A S > - 0 0 16 4,-2.6 3,-1.1 -2,-0.4 38,-0.1 -0.478 43.2 -91.5 -99.8-175.9 24.1 7.2 12.6 64 64 A L T 3 S+ 0 0 138 1,-0.3 37,-0.1 -2,-0.2 -1,-0.0 0.779 120.2 68.4 -70.7 -25.5 27.4 5.5 12.3 65 65 A D T 3 S- 0 0 55 35,-0.4 -1,-0.3 2,-0.2 36,-0.0 0.369 118.0-112.7 -78.0 15.8 26.4 2.5 14.5 66 66 A G S < S+ 0 0 46 -3,-1.1 -2,-0.2 1,-0.2 -1,-0.1 0.556 85.9 109.2 67.2 11.4 24.0 1.8 11.5 67 67 A D S S- 0 0 85 1,-0.1 -4,-2.6 3,-0.0 -1,-0.2 -0.717 78.6 -93.5-115.6 160.5 21.1 2.7 13.8 68 68 A P - 0 0 14 0, 0.0 -6,-0.2 0, 0.0 2,-0.2 -0.398 58.4 -84.2 -67.7 152.9 18.6 5.6 14.0 69 69 A V - 0 0 4 -11,-0.3 -11,-1.8 93,-0.1 2,-0.4 -0.413 48.3-138.9 -59.9 126.8 19.6 8.5 16.3 70 70 A D E -De 57 103B 18 32,-0.6 34,-2.5 -13,-0.2 2,-0.3 -0.762 20.4-170.2 -91.0 139.2 18.4 7.6 19.9 71 71 A V E -De 56 104B 0 -15,-1.7 -15,-2.4 -2,-0.4 2,-0.4 -0.868 16.6-147.2-129.2 149.7 16.9 10.3 22.1 72 72 A L E -De 55 105B 0 32,-1.6 34,-2.4 -2,-0.3 -17,-0.2 -0.975 19.4-167.3-117.1 131.2 15.9 10.3 25.8 73 73 A V E -D 54 0B 0 -19,-2.6 -19,-1.7 -2,-0.4 2,-0.3 -0.962 9.9-150.0-127.6 109.6 12.8 12.5 26.5 74 74 A P + 0 0 15 0, 0.0 -21,-0.1 0, 0.0 -2,-0.0 -0.629 25.2 168.5 -79.3 140.4 11.7 13.5 30.0 75 75 A T - 0 0 27 -2,-0.3 4,-0.0 32,-0.1 -2,-0.0 -0.933 47.3-109.8-142.2 163.0 8.0 14.0 30.5 76 76 A P S S+ 0 0 70 0, 0.0 -1,-0.0 0, 0.0 0, 0.0 0.835 104.0 21.7 -70.1 -24.0 5.8 14.4 33.6 77 77 A Y S S- 0 0 181 -3,-0.0 -54,-0.1 0, 0.0 0, 0.0 -0.984 98.8 -87.9-139.0 148.0 4.2 10.9 33.1 78 78 A P - 0 0 80 0, 0.0 2,-0.2 0, 0.0 -54,-0.0 -0.152 44.3-134.2 -58.6 143.3 5.4 7.8 31.3 79 79 A L - 0 0 44 -58,-0.1 3,-0.0 1,-0.1 6,-0.0 -0.512 21.9 -95.6 -94.7 168.1 4.5 7.6 27.6 80 80 A Q > - 0 0 142 -2,-0.2 3,-2.0 -58,-0.1 -61,-0.2 -0.616 40.3-110.7 -80.5 134.7 3.1 4.7 25.6 81 81 A P T 3 S+ 0 0 38 0, 0.0 -61,-0.2 0, 0.0 3,-0.1 -0.470 108.5 28.5 -62.7 142.5 5.6 2.5 23.6 82 82 A G T 3 S+ 0 0 24 -63,-3.7 2,-0.1 1,-0.3 -62,-0.1 0.413 95.2 120.5 86.5 -4.1 5.0 3.2 20.0 83 83 A S < - 0 0 37 -3,-2.0 -64,-3.0 -64,-0.1 2,-0.4 -0.472 56.3-130.1 -90.1 169.1 3.7 6.8 20.5 84 84 A V E -B 18 0B 61 -66,-0.2 2,-0.4 -2,-0.1 -66,-0.2 -0.974 17.7-168.0-123.3 135.3 5.3 9.9 19.0 85 85 A I E -B 17 0B 13 -68,-2.0 -68,-2.5 -2,-0.4 2,-0.5 -0.955 19.0-133.6-127.6 135.2 6.3 13.1 20.8 86 86 A R E +B 16 0B 35 -2,-0.4 23,-2.6 -70,-0.2 2,-0.3 -0.772 42.5 159.2 -81.3 132.0 7.3 16.4 19.3 87 87 A C E -BF 15 108B 0 -72,-2.7 -72,-2.4 -2,-0.5 -14,-0.0 -0.892 39.0-128.7-143.6 177.7 10.4 17.8 21.0 88 88 A R E - F 0 107B 29 19,-2.3 19,-2.6 -2,-0.3 -74,-0.1 -0.995 33.5-117.2-136.2 130.7 13.3 20.1 20.8 89 89 A P E + F 0 106B 6 0, 0.0 17,-0.3 0, 0.0 3,-0.1 -0.342 34.1 166.5 -65.9 147.4 17.0 18.9 21.4 90 90 A V E - 0 0 0 15,-2.5 32,-0.8 1,-0.4 65,-0.4 0.404 58.3 -10.7-141.3 -6.8 19.1 20.2 24.3 91 91 A G E - F 0 105B 0 14,-1.2 14,-1.9 64,-0.2 -1,-0.4 -0.991 48.9-131.6-177.9 175.6 22.0 18.0 24.7 92 92 A V E -GF 153 104B 2 61,-1.6 61,-1.8 -2,-0.3 2,-0.7 -0.989 10.5-146.3-148.9 138.6 23.9 14.8 23.9 93 93 A L E -GF 152 103B 0 10,-2.9 10,-1.8 -2,-0.3 2,-0.4 -0.963 24.5-151.9-106.4 112.9 25.6 12.3 26.1 94 94 A K E +GF 151 102B 46 57,-3.2 56,-3.0 -2,-0.7 57,-1.1 -0.713 29.3 145.4 -88.7 140.5 28.6 10.9 24.2 95 95 A M E -GF 149 101B 0 6,-2.1 6,-0.6 -2,-0.4 2,-0.3 -0.708 35.6-125.5-151.6-166.7 29.8 7.4 24.9 96 96 A T E G 148 0B 37 52,-0.8 52,-1.9 -2,-0.2 4,-0.2 -0.877 360.0 360.0-161.1 126.1 31.4 4.3 23.3 97 97 A D 0 0 48 2,-0.3 50,-0.2 -2,-0.3 3,-0.1 -0.704 360.0 360.0 -89.6 360.0 30.4 0.7 23.1 98 ! 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 99 100 A G 0 0 72 0, 0.0 2,-0.5 0, 0.0 -2,-0.3 0.000 360.0 360.0 360.0-162.4 31.7 2.5 18.3 100 101 A E + 0 0 61 -4,-0.2 2,-0.4 -3,-0.1 -35,-0.4 -0.962 360.0 176.8-123.9 121.8 30.0 5.9 19.0 101 102 A D E - F 0 95B 12 -6,-0.6 -6,-2.1 -2,-0.5 2,-0.5 -0.917 3.9-175.9-116.7 136.7 26.7 6.1 20.5 102 103 A A E - F 0 94B 10 -2,-0.4 -32,-0.6 -8,-0.2 2,-0.6 -0.982 8.2-162.3-134.9 125.9 25.4 9.5 21.2 103 104 A K E -eF 70 93B 5 -10,-1.8 -10,-2.9 -2,-0.5 -32,-0.2 -0.995 14.3-148.7-110.6 120.3 22.1 9.5 23.0 104 105 A L E -eF 71 92B 0 -34,-2.5 -32,-1.6 -2,-0.6 2,-0.4 -0.509 2.8-140.7 -82.9 164.7 20.5 12.9 22.6 105 106 A V E +eF 72 91B 0 -14,-1.9 -15,-2.5 -34,-0.2 -14,-1.2 -0.991 25.0 176.9-124.1 127.8 18.3 14.4 25.3 106 107 A A E - F 0 89B 0 -34,-2.4 3,-0.0 -2,-0.4 -14,-0.0 -0.970 16.4-144.6-130.9 147.1 15.2 16.3 23.9 107 108 A V E - F 0 88B 0 -19,-2.6 -19,-2.3 -2,-0.3 -32,-0.1 -0.805 37.7 -79.2-114.1 155.4 12.5 17.9 25.9 108 109 A P E - F 0 87B 5 0, 0.0 -21,-0.3 0, 0.0 8,-0.2 -0.257 55.2-102.0 -50.9 137.8 8.8 18.1 25.0 109 110 A H >> - 0 0 32 -23,-2.6 3,-2.5 -94,-0.1 4,-1.0 -0.314 28.7-115.0 -62.6 147.2 8.0 20.8 22.5 110 111 A S T 34 S+ 0 0 42 1,-0.3 -1,-0.1 2,-0.2 7,-0.1 0.671 114.1 63.3 -57.1 -26.5 6.4 24.0 24.0 111 112 A K T 34 S+ 0 0 164 1,-0.2 -1,-0.3 3,-0.1 3,-0.1 0.693 105.1 46.2 -73.3 -21.1 3.2 23.4 22.2 112 113 A L T <4 S- 0 0 99 -3,-2.5 2,-0.2 1,-0.3 -2,-0.2 0.741 133.5 -13.9 -87.8 -30.9 2.7 20.2 24.2 113 114 A S >< - 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0 0 25 -50,-0.2 2,-0.4 -9,-0.2 -50,-0.2 -0.965 360.0-162.5-155.9 139.0 30.0 1.0 27.4 148 151 A K E -G 96 0B 124 -52,-1.9 -52,-0.8 -2,-0.3 2,-0.2 -0.972 14.3-140.7-133.5 125.7 31.9 4.1 28.4 149 152 A V E +G 95 0B 15 -2,-0.4 -54,-0.3 -54,-0.2 3,-0.1 -0.577 17.8 178.4 -76.4 139.4 30.5 7.6 29.0 150 153 A E E - 0 0 105 -56,-3.0 2,-0.2 1,-0.3 -55,-0.2 0.416 50.4 -93.2-118.6 -13.9 32.7 10.5 27.7 151 154 A G E -G 94 0B 23 -57,-1.1 -57,-3.2 2,-0.0 -1,-0.3 -0.602 41.2 -57.2 131.9 176.8 30.5 13.4 28.7 152 155 A W E -G 93 0B 66 -59,-0.2 2,-0.3 -2,-0.2 -59,-0.2 -0.549 35.6-166.5 -97.0 159.5 27.8 15.8 27.7 153 156 A E E -G 92 0B 89 -61,-1.8 -61,-1.6 -2,-0.2 -31,-0.1 -0.962 24.6 -96.8-142.5 159.5 27.5 18.3 24.9 154 157 A N > - 0 0 72 -2,-0.3 4,-1.9 -63,-0.2 3,-0.3 0.081 39.9 -92.6 -72.3 178.9 25.3 21.2 24.2 155 158 A A H > S+ 0 0 9 -65,-0.4 4,-2.4 1,-0.2 -64,-0.2 0.822 122.7 59.4 -61.5 -31.1 22.2 21.7 22.0 156 159 A E H > S+ 0 0 132 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.887 106.9 44.8 -64.2 -45.8 24.5 22.8 19.1 157 160 A A H > S+ 0 0 27 -3,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.900 111.9 54.4 -62.8 -42.7 26.3 19.5 19.1 158 161 A A H X S+ 0 0 0 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.926 110.5 44.5 -55.9 -53.7 23.0 17.6 19.4 159 162 A K H X S+ 0 0 37 -4,-2.4 4,-2.8 2,-0.2 -1,-0.2 0.786 109.6 56.1 -63.1 -30.4 21.5 19.4 16.4 160 163 A A H X S+ 0 0 59 -4,-1.3 4,-2.8 2,-0.2 -2,-0.2 0.912 108.7 49.2 -66.2 -41.6 24.8 18.8 14.4 161 164 A E H X S+ 0 0 41 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.880 111.8 47.5 -64.3 -39.4 24.3 15.1 15.2 162 165 A I H X S+ 0 0 0 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.957 113.4 47.5 -67.0 -52.0 20.6 15.3 14.0 163 166 A V H X S+ 0 0 65 -4,-2.8 4,-2.6 1,-0.2 5,-0.2 0.935 113.2 48.2 -54.1 -49.6 21.5 17.1 10.8 164 167 A A H X S+ 0 0 37 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.879 113.7 45.7 -61.2 -42.4 24.4 14.7 10.0 165 168 A S H X S+ 0 0 0 -4,-1.9 -103,-1.7 2,-0.2 4,-0.9 0.728 111.6 52.3 -73.6 -29.2 22.4 11.6 10.6 166 169 A F H >X S+ 0 0 47 -4,-1.9 4,-1.5 -105,-0.3 3,-0.9 0.956 111.8 45.3 -72.0 -48.2 19.5 12.8 8.6 167 170 A E H >< S+ 0 0 119 -4,-2.6 3,-0.5 1,-0.3 -2,-0.2 0.918 111.7 53.6 -58.1 -41.8 21.7 13.6 5.7 168 171 A R H 3< S+ 0 0 100 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.767 104.6 55.5 -64.7 -25.3 23.4 10.3 6.1 169 172 A A H << 0 0 43 -3,-0.9 -1,-0.2 -4,-0.9 -2,-0.2 0.819 360.0 360.0 -77.1 -30.7 19.9 8.6 5.9 170 173 A K << 0 0 184 -4,-1.5 -1,-0.2 -3,-0.5 -2,-0.1 0.251 360.0 360.0 -65.1 360.0 19.1 10.3 2.6