==== 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 27-AUG-05 2AU6 . COMPND 2 MOLECULE: INORGANIC PYROPHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR V.R.SAMYGINA,A.N.POPOV,S.M.AVAEVA,H.D.BARTUNIK . 175 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8639.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 111 63.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 2.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 43 24.6 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 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 . 13 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 29 16.6 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+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 0 0 1 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 1 1 2 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 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 1 A S > 0 0 104 0, 0.0 3,-1.3 0, 0.0 36,-0.1 0.000 360.0 360.0 360.0 172.5 57.6 92.0 7.6 2 2 A L G > + 0 0 31 1,-0.3 3,-2.1 2,-0.2 35,-0.1 0.728 360.0 66.3 -66.0 -24.4 57.2 89.5 10.4 3 3 A L G 3 S+ 0 0 71 1,-0.3 -1,-0.3 56,-0.1 34,-0.0 0.761 90.6 63.6 -66.0 -19.7 56.0 87.4 7.5 4 4 A N G < S+ 0 0 122 -3,-1.3 -1,-0.3 2,-0.1 -2,-0.2 0.562 76.9 113.2 -78.4 2.1 59.6 87.8 6.5 5 5 A V < - 0 0 24 -3,-2.1 13,-0.1 1,-0.1 -3,-0.1 -0.549 66.8-132.6 -83.1 134.4 60.7 85.8 9.5 6 6 A P - 0 0 64 0, 0.0 53,-0.4 0, 0.0 10,-0.2 -0.299 15.5-120.0 -66.8 159.9 62.2 82.4 8.5 7 7 A A S S- 0 0 6 1,-0.3 9,-2.6 51,-0.1 2,-0.3 0.865 85.4 -43.9 -61.7 -34.5 61.1 79.3 10.3 8 8 A G - 0 0 19 7,-0.3 3,-0.4 1,-0.1 -1,-0.3 -0.931 45.7-104.1 174.9 160.7 64.6 78.9 11.3 9 9 A K S S+ 0 0 140 -2,-0.3 6,-0.2 1,-0.2 -1,-0.1 0.823 117.1 2.5 -68.3 -33.7 68.3 79.1 10.3 10 10 A D B >> S-A 14 0A 96 4,-2.1 4,-2.1 -3,-0.1 3,-0.7 -0.540 97.8-121.1-158.5 77.5 68.5 75.3 10.1 11 11 A L T 34 S+ 0 0 40 -3,-0.4 -3,-0.1 1,-0.3 4,-0.1 -0.445 83.2 15.1 -60.8 146.3 65.2 73.5 10.8 12 12 A P T 34 S+ 0 0 19 0, 0.0 -1,-0.3 0, 0.0 3,-0.1 -0.999 132.4 37.0 -91.5 -3.3 64.5 71.5 12.9 13 13 A E T <4 S+ 0 0 87 -3,-0.7 2,-0.5 1,-0.2 -2,-0.2 0.741 121.1 40.9 -77.1 -26.0 67.5 72.0 15.3 14 14 A D B < S+A 10 0A 16 -4,-2.1 -4,-2.1 74,-0.1 2,-0.3 -0.955 79.3 160.5-132.5 103.2 67.8 75.8 14.9 15 15 A I E -B 87 0B 0 72,-2.4 72,-2.8 -2,-0.5 2,-0.4 -0.785 35.9-129.3-123.4 163.8 64.5 77.6 14.8 16 16 A Y E -B 86 0B 63 -9,-2.6 2,-0.5 -2,-0.3 43,-0.4 -0.955 20.0-157.2-110.8 138.2 63.0 81.0 15.3 17 17 A V E -B 85 0B 0 68,-2.5 68,-2.4 -2,-0.4 2,-0.6 -0.967 7.6-147.4-117.3 122.7 60.0 81.5 17.6 18 18 A V E -BC 84 57B 1 39,-2.8 39,-2.0 -2,-0.5 2,-0.4 -0.788 23.9-136.9 -82.9 122.8 57.7 84.5 17.2 19 19 A I E + C 0 56B 0 64,-2.9 63,-3.4 -2,-0.6 37,-0.3 -0.709 33.6 165.3 -88.1 128.1 56.4 85.3 20.7 20 20 A E E S+ 0 0 12 35,-2.6 36,-0.2 -2,-0.4 10,-0.2 0.711 70.9 29.3-103.6 -36.3 52.7 86.2 21.2 21 21 A I E S- C 0 55B 2 34,-2.3 34,-2.9 59,-0.1 -1,-0.3 -0.990 77.4-133.3-132.9 124.0 52.3 85.9 24.9 22 22 A P > - 0 0 24 0, 0.0 3,-0.8 0, 0.0 29,-0.2 -0.359 35.2 -91.4 -71.9 157.9 55.0 86.6 27.5 23 23 A A T 3 S+ 0 0 9 1,-0.2 31,-0.1 50,-0.1 30,-0.1 -0.346 106.9 8.7 -58.7 150.1 55.7 84.3 30.5 24 24 A N T 3 S+ 0 0 102 27,-1.6 -1,-0.2 1,-0.2 2,-0.2 0.853 98.7 142.0 39.5 51.2 53.9 85.2 33.7 25 25 A A < - 0 0 28 -3,-0.8 -1,-0.2 26,-0.3 26,-0.1 -0.489 59.4 -74.2-105.1 172.9 51.7 87.7 32.0 26 26 A D - 0 0 125 -2,-0.2 2,-2.4 1,-0.1 -1,-0.2 -0.343 59.3 -95.8 -63.8 154.5 48.1 88.7 32.3 27 27 A P S S+ 0 0 50 0, 0.0 18,-2.3 0, 0.0 2,-0.6 -0.241 76.3 133.6 -82.3 63.9 45.6 86.3 30.7 28 28 A I E -I 44 0C 38 -2,-2.4 2,-1.2 16,-0.2 16,-0.2 -0.946 47.8-147.7-110.4 116.6 45.3 88.0 27.3 29 29 A K E -I 43 0C 10 14,-2.9 13,-3.1 -2,-0.6 14,-1.2 -0.712 21.2-173.0 -90.4 94.2 45.6 85.5 24.5 30 30 A Y E -I 41 0C 64 -2,-1.2 2,-0.3 11,-0.3 11,-0.2 -0.619 4.9-173.8 -83.7 148.6 47.2 87.4 21.6 31 31 A E E -I 40 0C 46 9,-2.7 9,-2.6 -2,-0.2 2,-0.3 -0.993 27.1-116.5-140.5 137.0 47.6 85.9 18.2 32 32 A I E -I 39 0C 17 -2,-0.3 2,-0.5 7,-0.2 7,-0.2 -0.545 30.4-127.1 -70.4 128.2 49.4 87.3 15.1 33 33 A D > - 0 0 21 5,-3.1 4,-2.4 -2,-0.3 5,-0.1 -0.649 8.8-146.8 -74.7 124.4 47.1 88.0 12.3 34 34 A K T 4 S+ 0 0 88 -2,-0.5 -1,-0.1 2,-0.2 -2,-0.0 0.772 93.5 49.6 -68.3 -18.3 48.3 86.3 9.1 35 35 A E T 4 S+ 0 0 166 1,-0.1 -1,-0.2 3,-0.1 -3,-0.0 0.957 128.1 17.8 -85.1 -44.8 47.0 89.1 6.8 36 36 A S T 4 S- 0 0 65 2,-0.1 -2,-0.2 1,-0.0 -1,-0.1 0.651 90.3-129.5 -98.4 -19.4 48.4 92.1 8.5 37 37 A G < + 0 0 15 -4,-2.4 2,-0.2 1,-0.3 -3,-0.1 0.512 64.4 135.5 75.6 6.3 51.2 90.7 10.8 38 38 A A - 0 0 44 -5,-0.1 -5,-3.1 -6,-0.1 2,-0.7 -0.521 63.9-108.7 -85.7 155.7 49.6 92.6 13.7 39 39 A L E -I 32 0C 61 -7,-0.2 2,-0.3 -2,-0.2 -7,-0.2 -0.719 40.5-172.2 -81.1 118.0 49.0 91.2 17.2 40 40 A F E -I 31 0C 109 -9,-2.6 -9,-2.7 -2,-0.7 2,-0.7 -0.815 29.0-113.5-106.9 148.4 45.3 90.8 17.7 41 41 A V E +I 30 0C 67 -2,-0.3 -11,-0.3 -11,-0.2 3,-0.1 -0.736 31.7 178.7 -76.2 115.5 43.5 89.8 20.9 42 42 A D E - 0 0 76 -13,-3.1 2,-0.3 -2,-0.7 -1,-0.2 0.878 64.2 -16.7 -81.1 -40.1 42.0 86.4 20.4 43 43 A R E -I 29 0C 33 -14,-1.2 -14,-2.9 2,-0.0 2,-0.7 -0.982 46.8-129.4-159.5 147.8 40.5 86.1 23.8 44 44 A F E -I 28 0C 147 -2,-0.3 -16,-0.2 -16,-0.2 2,-0.0 -0.960 50.0-124.4 -93.8 112.8 40.5 87.4 27.4 45 45 A M - 0 0 16 -18,-2.3 97,-0.1 -2,-0.7 96,-0.0 -0.311 13.3-149.3 -66.1 144.8 40.9 84.1 29.2 46 46 A S S S+ 0 0 71 95,-0.3 2,-0.2 2,-0.1 -1,-0.1 0.717 71.9 76.7 -89.8 -29.1 38.3 83.3 31.7 47 47 A T S S- 0 0 16 94,-0.6 2,-1.8 1,-0.1 94,-0.0 -0.579 88.4-114.5 -85.3 155.4 40.4 81.2 34.2 48 48 A A S S+ 0 0 108 -2,-0.2 2,-0.3 2,-0.0 -1,-0.1 -0.488 76.4 118.7 -85.5 65.4 42.8 82.7 36.6 49 49 A M - 0 0 36 -2,-1.8 2,-0.3 92,-0.1 -4,-0.1 -0.906 47.7-153.0-131.4 156.6 45.8 81.1 34.9 50 50 A F - 0 0 104 -2,-0.3 -24,-0.1 -23,-0.1 -27,-0.1 -0.976 33.8 -97.0-131.4 151.2 48.9 82.3 33.1 51 51 A Y - 0 0 7 -2,-0.3 -27,-1.6 -29,-0.2 -26,-0.3 -0.421 32.3-142.7 -63.8 127.8 51.1 80.8 30.4 52 52 A P S S+ 0 0 20 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.704 80.3 15.8 -72.2 -15.4 54.0 79.1 32.3 53 53 A C S S- 0 0 3 -31,-0.1 -29,-0.1 21,-0.1 -32,-0.0 -0.888 105.5 -70.1-138.7 168.2 56.6 80.1 29.6 54 54 A N E - D 0 73B 0 19,-1.4 19,-2.5 -2,-0.3 2,-0.4 -0.396 58.4-150.4 -57.1 145.6 56.7 82.6 26.8 55 55 A Y E +CD 21 72B 4 -34,-2.9 -35,-2.6 17,-0.2 -34,-2.3 -0.979 35.7 105.2-132.0 136.6 54.3 81.3 24.1 56 56 A G E -CD 19 71B 0 15,-2.4 15,-2.1 -2,-0.4 2,-0.3 -0.710 47.7 -91.2-171.9-138.7 54.2 81.7 20.3 57 57 A Y E -CD 18 70B 5 -39,-2.0 -39,-2.8 13,-0.3 2,-0.6 -0.959 24.9-103.1-155.0 165.5 54.9 79.8 17.1 58 58 A I > - 0 0 0 11,-1.7 3,-0.7 -2,-0.3 11,-0.3 -0.894 45.0-124.5 -97.3 122.8 57.3 78.9 14.3 59 59 A N T 3 S+ 0 0 6 -2,-0.6 -43,-0.1 -43,-0.4 3,-0.1 -0.301 90.0 27.7 -63.7 153.5 56.6 81.0 11.1 60 60 A H T 3 S+ 0 0 92 1,-0.3 2,-0.3 -54,-0.1 -1,-0.2 0.816 100.6 105.8 64.2 35.3 55.9 79.2 7.9 61 61 A T < - 0 0 5 -3,-0.7 2,-0.3 111,-0.1 -1,-0.3 -0.891 51.5-155.1-131.7 166.8 54.5 76.1 9.6 62 62 A L - 0 0 34 106,-1.6 109,-0.2 -2,-0.3 2,-0.2 -0.947 1.5-162.4-150.0 127.2 51.0 74.6 10.1 63 63 A S > - 0 0 2 4,-3.0 3,-1.8 -2,-0.3 39,-0.1 -0.483 43.3 -99.7 -89.3 172.8 49.5 72.4 12.7 64 64 A L T 3 S+ 0 0 108 37,-0.3 38,-0.1 1,-0.3 37,-0.1 0.633 119.2 71.7 -73.7 -12.5 46.3 70.5 12.2 65 65 A D T 3 S- 0 0 17 36,-0.7 -1,-0.3 2,-0.2 37,-0.1 0.463 118.2-109.0 -77.0 0.6 44.5 73.1 14.2 66 66 A G S < S+ 0 0 51 -3,-1.8 -2,-0.1 1,-0.3 3,-0.0 0.449 88.3 90.8 89.0 1.0 45.0 75.5 11.2 67 67 A D S S- 0 0 61 1,-0.1 -4,-3.0 -4,-0.0 -1,-0.3 -0.842 88.4 -77.1-122.5 159.3 47.6 77.7 12.8 68 68 A P - 0 0 17 0, 0.0 -6,-0.2 0, 0.0 -1,-0.1 -0.149 67.0 -80.8 -53.1 150.5 51.4 77.6 12.9 69 69 A V - 0 0 0 -11,-0.3 -11,-1.7 1,-0.1 2,-0.2 -0.301 51.4-118.3 -62.9 139.8 52.9 75.1 15.3 70 70 A D E -De 57 104B 7 33,-0.8 35,-2.6 -13,-0.2 2,-0.4 -0.531 28.8-169.5 -87.2 145.0 53.0 76.3 18.9 71 71 A V E -De 56 105B 0 -15,-2.1 -15,-2.4 -2,-0.2 2,-0.4 -0.995 15.9-155.5-138.3 137.9 56.1 76.8 21.1 72 72 A L E -De 55 106B 0 33,-2.9 35,-2.3 -2,-0.4 -17,-0.2 -0.936 17.0-168.3-104.7 130.9 56.8 77.4 24.7 73 73 A V E -D 54 0B 0 -19,-2.5 -19,-1.4 -2,-0.4 2,-0.3 -0.947 9.9-149.6-125.4 106.0 60.1 79.1 25.4 74 74 A P + 0 0 15 0, 0.0 -21,-0.1 0, 0.0 43,-0.1 -0.597 26.5 167.9 -72.1 139.2 61.5 79.3 28.9 75 75 A T - 0 0 28 -2,-0.3 4,-0.0 33,-0.1 -21,-0.0 -0.952 46.9-115.6-143.6 162.6 63.7 82.4 29.5 76 76 A P S S+ 0 0 71 0, 0.0 -1,-0.0 0, 0.0 0, 0.0 0.777 105.0 22.4 -71.7 -23.4 65.2 84.2 32.5 77 77 A Y S S- 0 0 182 -3,-0.0 -54,-0.1 0, 0.0 0, 0.0 -0.989 99.8 -90.8-139.8 143.7 63.0 87.2 31.9 78 78 A P - 0 0 78 0, 0.0 2,-0.1 0, 0.0 -54,-0.0 -0.229 41.7-127.8 -61.7 144.4 59.7 87.6 30.0 79 79 A L - 0 0 39 -58,-0.1 6,-0.0 1,-0.1 -4,-0.0 -0.433 22.2-101.6 -87.8 160.6 59.9 88.4 26.3 80 80 A Q > - 0 0 139 -2,-0.1 3,-2.2 1,-0.1 -61,-0.2 -0.632 39.0-107.6 -78.8 132.8 58.1 91.1 24.4 81 81 A P T 3 S+ 0 0 34 0, 0.0 -61,-0.2 0, 0.0 3,-0.1 -0.382 109.1 26.4 -57.5 135.7 55.0 90.2 22.4 82 82 A G T 3 S+ 0 0 34 -63,-3.4 2,-0.1 1,-0.3 -62,-0.1 0.343 95.7 121.2 88.6 -3.8 55.9 90.3 18.7 83 83 A S < - 0 0 35 -3,-2.2 -64,-2.9 -64,-0.2 2,-0.4 -0.456 55.1-133.0 -85.7 165.4 59.6 89.7 19.3 84 84 A V E -B 18 0B 58 -66,-0.2 2,-0.4 -2,-0.1 -66,-0.2 -0.966 16.8-168.4-123.5 135.0 61.6 86.7 17.8 85 85 A T E -B 17 0B 12 -68,-2.4 -68,-2.5 -2,-0.4 2,-0.3 -0.984 21.2-130.0-127.8 133.3 63.9 84.4 19.6 86 86 A R E +B 16 0B 35 -2,-0.4 24,-2.4 -70,-0.2 2,-0.3 -0.619 43.3 169.8 -76.5 129.3 66.4 81.8 18.2 87 87 A C E -BF 15 109B 0 -72,-2.8 -72,-2.4 -2,-0.3 -14,-0.0 -0.851 35.7-133.9-141.6 171.1 65.8 78.5 19.9 88 88 A R E - F 0 108B 55 20,-2.2 20,-2.4 -2,-0.3 -74,-0.1 -1.000 32.4-120.2-130.3 124.8 66.6 74.8 20.0 89 89 A P E + F 0 107B 3 0, 0.0 18,-0.3 0, 0.0 73,-0.1 -0.425 34.8 167.0 -70.3 140.5 63.8 72.2 20.5 90 90 A V E - 0 0 0 16,-2.8 68,-0.5 1,-0.4 2,-0.3 0.489 59.8 -19.4-127.9 -8.7 64.1 69.9 23.5 91 91 A G E - F 0 106B 0 15,-1.3 15,-2.7 67,-0.2 -1,-0.4 -0.975 52.8-130.8 175.5 174.5 60.7 68.2 23.9 92 92 A V E -GF 156 105B 0 64,-2.1 64,-2.7 -2,-0.3 2,-0.8 -0.977 8.8-143.0-150.8 138.0 57.0 68.3 23.0 93 93 A L E -GF 155 104B 0 11,-2.8 11,-2.7 -2,-0.3 2,-0.3 -0.884 26.9-146.3 -98.1 109.4 53.7 68.0 24.8 94 94 A K E +G 154 0B 41 60,-2.7 59,-2.8 -2,-0.8 60,-1.7 -0.614 36.7 141.7 -77.6 133.5 51.4 66.1 22.6 95 95 A M E -G 152 0B 0 -2,-0.3 7,-2.7 57,-0.3 2,-0.3 -0.972 38.1-139.1-164.4 162.3 47.8 67.2 22.8 96 96 A T E -GH 151 101B 26 55,-2.4 55,-2.8 -2,-0.3 5,-0.2 -0.939 17.6-174.9-123.5 142.9 44.6 67.9 20.9 97 97 A D E > -GH 150 100B 9 3,-2.6 3,-1.8 -2,-0.3 53,-0.2 -0.736 49.8 -78.8-129.1-170.3 42.1 70.7 21.3 98 98 A E T 3 S+ 0 0 67 51,-1.2 3,-0.1 1,-0.3 52,-0.1 0.730 128.7 52.5 -61.9 -21.1 38.7 71.6 19.8 99 99 A A T 3 S- 0 0 53 1,-0.3 -1,-0.3 3,-0.0 2,-0.3 0.573 121.8 -86.9 -91.4 -11.9 40.5 72.9 16.6 100 100 A G E < S-H 97 0B 21 -3,-1.8 -3,-2.6 -35,-0.1 -1,-0.3 -0.808 75.7 -13.1 138.2-175.8 42.6 69.7 16.0 101 101 A E E +H 96 0B 72 -2,-0.3 -36,-0.7 -5,-0.2 -37,-0.3 -0.393 62.7 176.3 -60.0 139.2 45.9 68.1 16.9 102 102 A D - 0 0 3 -7,-2.7 -1,-0.1 -38,-0.1 -6,-0.1 -0.403 8.5-168.6-156.7 60.4 47.8 70.9 18.6 103 103 A A - 0 0 0 1,-0.1 -33,-0.8 -9,-0.1 2,-0.7 -0.149 15.6-139.1 -60.0 153.2 51.2 69.9 20.0 104 104 A K E -eF 70 93B 0 -11,-2.7 -11,-2.8 -35,-0.1 -33,-0.2 -0.904 17.5-155.5-117.2 103.2 53.1 72.3 22.2 105 105 A L E -eF 71 92B 0 -35,-2.6 -33,-2.9 -2,-0.7 2,-0.5 -0.487 4.3-147.4 -69.3 150.2 56.8 72.3 21.5 106 106 A V E +eF 72 91B 0 -15,-2.7 -16,-2.8 -35,-0.2 -15,-1.3 -0.994 23.9 173.0-115.8 123.9 59.3 73.3 24.2 107 107 A A E - F 0 89B 0 -35,-2.3 3,-0.1 -2,-0.5 -90,-0.0 -0.997 17.9-147.1-133.2 134.0 62.4 75.1 22.7 108 108 A V E - F 0 88B 0 -20,-2.4 -20,-2.2 -2,-0.4 -33,-0.1 -0.691 37.7 -79.8-100.6 154.2 65.1 76.8 24.8 109 109 A P E - F 0 87B 8 0, 0.0 -22,-0.3 0, 0.0 8,-0.2 -0.218 58.0-103.7 -51.1 133.8 67.1 79.9 23.8 110 110 A H >> - 0 0 26 -24,-2.4 3,-2.2 -95,-0.2 4,-1.3 -0.236 27.2-110.4 -59.7 149.1 69.9 78.9 21.4 111 111 A S T 34 S+ 0 0 57 1,-0.3 -1,-0.1 2,-0.2 7,-0.1 0.741 117.1 63.0 -54.0 -30.1 73.5 78.7 22.8 112 112 A K T 34 S+ 0 0 166 1,-0.2 -1,-0.3 3,-0.1 3,-0.1 0.754 106.6 44.9 -69.0 -27.9 74.4 81.9 20.9 113 113 A L T <4 S- 0 0 93 -3,-2.2 2,-0.3 1,-0.4 -2,-0.2 0.760 133.7 -18.5 -88.6 -28.6 71.9 83.9 23.0 114 114 A S < - 0 0 46 -4,-1.3 -1,-0.4 -5,-0.1 3,-0.3 -0.913 42.5-137.4-169.5 150.5 72.9 82.3 26.3 115 115 A K S > S+ 0 0 167 -2,-0.3 3,-1.6 1,-0.2 4,-0.4 0.461 83.4 98.2 -87.7 -2.9 74.7 79.4 27.8 116 116 A E T 3 S+ 0 0 90 1,-0.3 3,-0.4 2,-0.1 -1,-0.2 0.847 88.9 34.2 -55.2 -46.1 71.9 79.1 30.5 117 117 A Y T > S+ 0 0 19 -3,-0.3 3,-1.8 -8,-0.2 -1,-0.3 0.329 83.8 103.1-100.7 8.8 70.0 76.3 28.7 118 118 A D T < S+ 0 0 48 -3,-1.6 -1,-0.2 1,-0.3 -2,-0.1 0.862 77.3 61.1 -56.3 -34.4 72.8 74.4 27.1 119 119 A H T 3 S+ 0 0 125 -4,-0.4 2,-1.1 -3,-0.4 -1,-0.3 0.669 84.0 88.1 -69.9 -13.9 72.5 71.7 29.8 120 120 A I < + 0 0 7 -3,-1.8 -12,-0.1 1,-0.2 -1,-0.1 -0.749 46.9 151.4 -87.6 98.9 68.9 71.1 28.6 121 121 A K + 0 0 138 -2,-1.1 2,-0.3 1,-0.2 -1,-0.2 0.730 62.7 1.0 -99.6 -30.9 69.5 68.5 25.9 122 122 A D S > S- 0 0 59 -3,-0.2 3,-2.2 35,-0.1 4,-0.4 -0.889 87.6 -79.5-154.8 175.4 66.3 66.5 26.0 123 123 A V G > S+ 0 0 10 1,-0.3 3,-1.4 -2,-0.3 -32,-0.1 0.794 120.3 60.1 -61.2 -32.6 62.9 66.4 27.7 124 124 A N G 3 S+ 0 0 126 1,-0.3 -1,-0.3 -34,-0.1 4,-0.1 0.647 96.5 63.5 -72.3 -11.6 64.0 64.7 30.9 125 125 A D G < S+ 0 0 73 -3,-2.2 -1,-0.3 -35,-0.2 -2,-0.2 0.575 82.4 95.7 -83.7 -12.0 66.4 67.6 31.5 126 126 A L S < S- 0 0 3 -3,-1.4 -5,-0.0 -4,-0.4 2,-0.0 -0.544 95.2 -94.5 -71.6 144.4 63.4 70.0 31.8 127 127 A P > - 0 0 73 0, 0.0 4,-2.2 0, 0.0 5,-0.2 -0.319 26.8-133.9 -57.4 138.2 62.4 70.5 35.4 128 128 A E H > S+ 0 0 122 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.894 105.5 55.5 -60.0 -38.1 59.6 68.1 36.4 129 129 A L H > S+ 0 0 125 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.907 107.0 49.8 -59.6 -43.0 57.7 70.9 38.1 130 130 A L H > S+ 0 0 27 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.937 111.1 47.9 -61.8 -47.9 57.7 73.0 34.9 131 131 A K H X S+ 0 0 8 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.924 113.2 49.0 -61.7 -39.3 56.5 70.1 32.7 132 132 A A H X S+ 0 0 62 -4,-2.5 4,-2.6 -5,-0.2 -1,-0.2 0.894 111.4 49.6 -63.7 -42.4 53.8 69.4 35.3 133 133 A Q H X S+ 0 0 89 -4,-2.4 4,-2.4 -5,-0.2 -2,-0.2 0.889 110.9 49.4 -64.4 -41.6 52.8 73.0 35.3 134 134 A I H X S+ 0 0 1 -4,-2.5 4,-2.2 2,-0.2 5,-0.2 0.945 112.7 46.5 -63.3 -50.4 52.6 73.2 31.5 135 135 A A H X S+ 0 0 13 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.939 113.3 49.6 -60.4 -42.7 50.5 70.1 31.2 136 136 A H H X S+ 0 0 93 -4,-2.6 4,-1.5 1,-0.2 -1,-0.2 0.882 109.1 53.3 -62.3 -41.8 48.2 71.3 34.0 137 137 A F H X S+ 0 0 4 -4,-2.4 4,-2.7 2,-0.2 3,-0.4 0.948 111.7 43.0 -55.7 -53.8 47.8 74.7 32.3 138 138 A F H < S+ 0 0 0 -4,-2.2 4,-0.4 1,-0.2 -2,-0.2 0.891 112.3 55.5 -67.7 -31.1 46.7 73.3 29.0 139 139 A E H < S+ 0 0 82 -4,-2.3 11,-0.3 -5,-0.2 -1,-0.2 0.814 124.6 20.4 -65.5 -28.1 44.4 70.8 30.8 140 140 A H H >< S+ 0 0 63 -4,-1.5 3,-2.2 -3,-0.4 4,-0.2 0.622 93.0 89.6-120.7 -16.1 42.5 73.6 32.6 141 141 A Y T 3< S+ 0 0 5 -4,-2.7 -94,-0.6 1,-0.3 3,-0.3 0.755 96.5 45.8 -68.1 -20.4 42.9 77.0 31.0 142 142 A K T > S+ 0 0 8 -4,-0.4 3,-1.7 -5,-0.2 6,-0.3 0.247 78.5 111.7 -97.5 12.7 39.8 76.4 28.8 143 143 A D T < S+ 0 0 98 -3,-2.2 -1,-0.2 1,-0.3 -2,-0.1 0.718 82.7 39.3 -62.5 -25.9 37.7 75.1 31.6 144 144 A L T 3 S+ 0 0 117 -3,-0.3 2,-0.7 -4,-0.2 -1,-0.3 0.257 95.2 91.5-108.8 14.5 35.3 78.1 31.6 145 145 A E S X S- 0 0 21 -3,-1.7 3,-1.9 3,-0.2 2,-0.1 -0.895 78.3-131.8-110.7 104.6 35.1 78.6 27.8 146 146 A K T 3 S+ 0 0 206 -2,-0.7 3,-0.1 1,-0.3 -2,-0.1 -0.375 88.0 13.5 -61.8 131.9 32.2 76.6 26.5 147 147 A G T 3 S+ 0 0 64 1,-0.3 2,-0.4 -2,-0.1 -1,-0.3 0.399 103.7 105.0 83.1 1.5 33.0 74.4 23.5 148 148 A K < + 0 0 64 -3,-1.9 2,-0.3 -6,-0.3 -1,-0.3 -0.926 45.0 149.3-111.4 139.2 36.7 74.8 24.0 149 149 A W - 0 0 104 -2,-0.4 -51,-1.2 -3,-0.1 2,-0.3 -0.980 30.2-141.5-161.5 165.9 38.6 71.8 25.4 150 150 A V E -G 97 0B 26 -2,-0.3 2,-0.5 -11,-0.3 -53,-0.2 -0.993 3.5-162.8-140.5 142.5 41.9 69.9 25.5 151 151 A K E -G 96 0B 130 -55,-2.8 -55,-2.4 -2,-0.3 2,-0.4 -0.973 18.6-151.4-121.2 113.5 43.1 66.4 25.7 152 152 A V E -G 95 0B 40 -2,-0.5 -57,-0.3 -57,-0.2 3,-0.1 -0.720 14.2-177.5 -88.1 133.0 46.6 66.0 26.8 153 153 A E E - 0 0 97 -59,-2.8 2,-0.2 -2,-0.4 -58,-0.2 0.846 47.3 -91.1 -96.6 -48.4 48.4 62.9 25.4 154 154 A G E -G 94 0B 25 -60,-1.7 -60,-2.7 2,-0.0 2,-0.3 -0.775 39.3 -62.1 148.7 165.8 51.8 63.2 27.0 155 155 A W E -G 93 0B 67 -2,-0.2 2,-0.3 -62,-0.2 -62,-0.2 -0.580 45.9-176.5 -78.8 137.3 55.4 64.5 27.0 156 156 A E E -G 92 0B 80 -64,-2.7 -64,-2.1 -2,-0.3 -2,-0.0 -0.859 24.2 -93.8-134.3 164.7 57.8 63.2 24.2 157 157 A N > - 0 0 65 -2,-0.3 4,-2.2 -66,-0.2 -66,-0.2 0.038 38.0 -92.6 -80.3-179.8 61.5 63.8 23.5 158 158 A A H > S+ 0 0 6 -68,-0.5 4,-2.8 1,-0.2 -67,-0.2 0.842 123.6 55.7 -60.9 -37.2 63.5 66.2 21.4 159 159 A E H > S+ 0 0 149 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.912 108.6 48.0 -64.8 -38.6 63.5 63.8 18.5 160 160 A A H > S+ 0 0 18 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.885 111.1 51.8 -64.8 -39.3 59.7 63.8 18.6 161 161 A A H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.931 109.0 49.5 -62.4 -45.2 59.7 67.6 18.8 162 162 A K H X S+ 0 0 69 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.897 109.5 51.7 -62.7 -39.1 62.0 67.8 15.7 163 163 A A H X S+ 0 0 60 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.910 108.9 51.9 -62.7 -39.0 59.7 65.4 13.7 164 164 A E H X S+ 0 0 27 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.898 108.6 50.8 -62.5 -42.6 56.8 67.6 14.7 165 165 A I H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 5,-0.2 0.949 111.9 46.8 -60.2 -47.2 58.7 70.7 13.4 166 166 A V H X S+ 0 0 69 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.943 113.0 48.9 -59.4 -46.8 59.5 69.0 10.1 167 167 A A H X S+ 0 0 41 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.893 112.4 48.0 -60.1 -41.4 55.9 67.8 9.6 168 168 A S H X S+ 0 0 0 -4,-2.4 -106,-1.6 2,-0.2 4,-1.5 0.856 110.4 51.2 -72.7 -33.7 54.5 71.2 10.4 169 169 A F H X S+ 0 0 74 -4,-2.3 4,-1.9 -108,-0.2 -2,-0.2 0.927 111.9 48.2 -64.1 -43.8 56.9 72.9 7.9 170 170 A E H X S+ 0 0 86 -4,-2.6 4,-2.3 -5,-0.2 -2,-0.2 0.916 106.5 56.5 -64.5 -39.9 55.9 70.5 5.2 171 171 A R H X S+ 0 0 68 -4,-2.1 4,-0.6 1,-0.2 -1,-0.2 0.882 110.6 44.3 -60.6 -40.9 52.2 71.0 5.9 172 172 A A H >< S+ 0 0 34 -4,-1.5 3,-0.5 -112,-0.2 -1,-0.2 0.874 113.3 50.3 -70.1 -36.4 52.6 74.7 5.3 173 173 A K H 3< S+ 0 0 148 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.820 115.5 46.9 -61.7 -39.8 54.7 74.1 2.2 174 174 A N H 3< 0 0 108 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.373 360.0 360.0-101.6 0.5 52.1 71.8 0.9 175 175 A K << 0 0 220 -4,-0.6 -3,-0.1 -3,-0.5 -4,-0.1 -0.457 360.0 360.0 179.5 360.0 48.6 73.4 1.3