==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 17-SEP-08 3EIY . COMPND 2 MOLECULE: INORGANIC PYROPHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BURKHOLDERIA PSEUDOMALLEI 1710B; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE (S . 174 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) . 116 66.7 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 . 46 26.4 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 1.1 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 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 28 16.1 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+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 1 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 1 1 2 0 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 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 2 A S > 0 0 108 0, 0.0 3,-1.5 0, 0.0 4,-0.5 0.000 360.0 360.0 360.0 -96.1 3.3 54.8 -0.4 2 3 A F G > + 0 0 20 1,-0.3 3,-1.5 31,-0.2 32,-0.1 0.862 360.0 60.9 -51.3 -45.0 4.3 51.4 1.1 3 4 A S G 3 S+ 0 0 60 31,-0.5 -1,-0.3 1,-0.3 31,-0.1 0.736 104.4 48.7 -58.8 -26.1 4.6 49.7 -2.3 4 5 A N G < S+ 0 0 130 -3,-1.5 -1,-0.3 2,-0.1 -2,-0.2 0.424 79.9 109.2 -98.9 -1.4 7.4 52.1 -3.5 5 6 A V S < S- 0 0 28 -3,-1.5 13,-0.1 -4,-0.5 11,-0.1 -0.637 75.6-117.1 -72.8 130.4 9.6 52.0 -0.5 6 7 A P - 0 0 70 0, 0.0 10,-0.2 0, 0.0 3,-0.1 -0.321 13.4-124.4 -65.0 149.8 12.8 50.0 -1.4 7 8 A A S S- 0 0 6 1,-0.2 9,-2.8 53,-0.2 2,-0.3 0.823 82.1 -37.1 -61.5 -29.6 13.5 46.8 0.4 8 9 A G - 0 0 17 7,-0.3 3,-0.3 1,-0.1 7,-0.2 -0.936 43.5-112.1 177.0 162.5 16.9 48.2 1.3 9 10 A K S S+ 0 0 144 -2,-0.3 6,-0.2 1,-0.2 -1,-0.1 0.666 113.4 10.0 -79.7 -22.2 19.9 50.3 0.5 10 11 A D B > S-A 14 0A 93 4,-2.2 4,-2.3 -3,-0.1 3,-0.4 -0.437 101.2-114.0-159.8 81.3 22.3 47.3 0.5 11 12 A L T 4 S+ 0 0 61 -3,-0.3 4,-0.1 1,-0.3 -3,-0.1 -0.319 79.7 5.3 -73.3 147.9 20.5 43.9 0.6 12 13 A P T 4 S+ 0 0 27 0, 0.0 -1,-0.3 0, 0.0 3,-0.1 -0.999 133.5 37.9 -86.5 -8.3 20.4 41.7 2.5 13 14 A Q T 4 S+ 0 0 89 -3,-0.4 2,-0.6 1,-0.2 76,-0.4 0.785 116.2 47.1 -80.0 -26.1 22.3 43.2 5.4 14 15 A D B < S+A 10 0A 20 -4,-2.3 -4,-2.2 74,-0.1 2,-0.3 -0.923 81.5 155.0-117.6 95.6 21.1 46.9 5.1 15 16 A F E -B 87 0B 0 72,-1.8 72,-3.3 -2,-0.6 2,-0.3 -0.813 38.7-119.1-125.3 166.3 17.3 46.8 4.8 16 17 A N E -B 86 0B 13 -9,-2.8 2,-0.4 -2,-0.3 70,-0.2 -0.810 19.1-162.1-106.6 144.8 14.1 49.0 5.5 17 18 A V E -B 85 0B 0 68,-1.9 68,-2.2 -2,-0.3 2,-0.6 -0.994 9.2-150.4-126.5 126.2 11.2 48.1 7.8 18 19 A I E -BC 84 57B 0 39,-2.7 39,-1.8 -2,-0.4 2,-0.4 -0.877 26.4-129.3 -90.9 125.6 7.8 49.7 7.7 19 20 A I E + C 0 56B 0 64,-2.8 63,-3.4 -2,-0.6 37,-0.3 -0.620 35.7 165.8 -81.6 128.1 6.3 49.6 11.2 20 21 A E E S+ 0 0 10 35,-2.5 36,-0.2 -2,-0.4 10,-0.2 0.753 73.0 27.6-101.1 -36.7 2.8 48.2 11.7 21 22 A I E S- C 0 55B 2 34,-2.6 34,-2.5 59,-0.1 -1,-0.2 -0.940 75.1-139.8-136.4 107.6 2.7 47.8 15.5 22 23 A P > - 0 0 28 0, 0.0 3,-1.8 0, 0.0 29,-0.2 -0.325 41.0 -89.0 -63.3 144.5 4.7 49.9 18.0 23 24 A A T 3 S+ 0 0 14 1,-0.2 31,-0.1 50,-0.2 30,-0.1 -0.331 110.8 4.9 -47.9 133.5 6.2 48.1 21.0 24 25 A Q T 3 S+ 0 0 106 27,-3.4 -1,-0.2 29,-0.2 30,-0.1 0.575 91.8 151.4 65.5 10.7 3.7 48.0 24.0 25 26 A S < - 0 0 33 -3,-1.8 26,-0.2 26,-0.2 -1,-0.2 -0.288 61.8 -74.2 -67.1 158.7 0.9 49.6 22.0 26 27 A E - 0 0 140 1,-0.2 2,-2.6 24,-0.1 -1,-0.1 -0.211 65.5 -88.0 -51.7 150.7 -2.7 48.8 23.0 27 28 A P S S+ 0 0 33 0, 0.0 18,-1.9 0, 0.0 2,-0.5 -0.255 83.8 125.6 -75.0 64.7 -3.6 45.3 21.8 28 29 A V E -H 44 0C 18 -2,-2.6 2,-0.9 16,-0.2 16,-0.2 -0.982 53.4-140.0-123.6 123.0 -4.8 46.0 18.2 29 30 A K E -H 43 0C 13 14,-3.0 13,-2.3 -2,-0.5 14,-1.1 -0.741 22.3-172.5 -88.6 101.0 -3.2 44.2 15.3 30 31 A Y E -H 41 0C 89 -2,-0.9 2,-0.4 11,-0.2 11,-0.2 -0.745 4.1-166.2 -90.5 147.7 -2.7 46.6 12.3 31 32 A E E -H 40 0C 71 9,-2.7 9,-2.9 -2,-0.3 2,-0.2 -0.999 23.5-119.3-129.4 133.3 -1.6 45.4 8.9 32 33 A A E -H 39 0C 9 -2,-0.4 2,-0.7 7,-0.2 7,-0.2 -0.493 17.8-145.2 -66.7 132.7 -0.3 47.6 6.1 33 34 A D E >>> -H 38 0C 54 5,-3.0 4,-2.1 -2,-0.2 5,-0.9 -0.919 9.9-167.1 -97.1 110.1 -2.4 47.4 2.9 34 35 A K T 345S+ 0 0 69 -2,-0.7 -31,-0.5 1,-0.2 -1,-0.1 0.738 87.8 52.0 -73.9 -17.6 0.1 47.9 0.1 35 36 A A T 345S+ 0 0 92 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.617 119.1 34.2 -88.0 -17.9 -2.7 48.4 -2.4 36 37 A L T <45S- 0 0 112 -3,-0.6 -2,-0.2 2,-0.2 -1,-0.1 0.611 98.1-133.7-103.0 -19.3 -4.4 51.1 -0.3 37 38 A G T <5S+ 0 0 16 -4,-2.1 2,-0.3 1,-0.3 -3,-0.2 0.699 71.3 104.5 68.4 23.0 -1.2 52.6 1.1 38 39 A L E - 0 0 10 -18,-1.9 3,-1.2 -2,-0.6 97,-0.1 -0.371 24.1-141.0 -57.5 123.3 -6.0 40.7 19.8 46 47 A G T 3 S+ 0 0 40 1,-0.3 -1,-0.1 -2,-0.2 96,-0.1 0.829 98.1 45.0 -58.8 -37.5 -8.2 38.1 21.7 47 48 A T T 3 S- 0 0 43 94,-0.9 -1,-0.3 2,-0.1 3,-0.1 0.594 104.3-124.8 -82.7 -11.7 -5.9 37.7 24.7 48 49 A G < + 0 0 39 -3,-1.2 2,-0.1 1,-0.2 -2,-0.1 0.595 58.8 152.7 75.3 7.3 -5.3 41.5 25.1 49 50 A M - 0 0 46 92,-0.2 2,-0.3 -22,-0.1 -1,-0.2 -0.442 34.2-140.5 -74.1 149.0 -1.5 40.7 24.8 50 51 A R - 0 0 106 -2,-0.1 -24,-0.1 -3,-0.1 -27,-0.1 -0.832 21.8-102.3-115.2 143.4 0.9 43.4 23.5 51 52 A Y - 0 0 2 -2,-0.3 -27,-3.4 -29,-0.2 -26,-0.2 -0.467 25.5-149.7 -59.9 124.1 3.9 43.2 21.2 52 53 A P S S+ 0 0 20 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.671 80.6 19.9 -70.9 -16.5 7.0 43.4 23.4 53 54 A V S S- 0 0 6 -31,-0.1 -29,-0.2 21,-0.1 21,-0.2 -0.885 104.7 -69.8-142.3 167.7 9.0 45.1 20.6 54 55 A N E - D 0 73B 0 19,-1.5 19,-1.9 -2,-0.3 2,-0.4 -0.323 48.0-156.4 -61.8 143.9 8.1 46.9 17.4 55 56 A Y E +CD 21 72B 4 -34,-2.5 -34,-2.6 17,-0.2 -35,-2.5 -0.980 30.6 115.5-130.0 135.4 6.6 44.8 14.6 56 57 A G E -CD 19 71B 0 15,-2.4 15,-2.5 -2,-0.4 2,-0.3 -0.805 44.7-101.2-165.1-154.4 6.5 45.4 10.8 57 58 A F E -CD 18 70B 2 -39,-1.8 -39,-2.7 13,-0.3 13,-0.2 -0.967 25.2-105.5-146.8 160.8 7.7 44.1 7.5 58 59 A I E > - D 0 69B 0 11,-2.3 3,-0.6 -2,-0.3 11,-0.5 -0.821 41.9-129.1 -87.8 119.3 10.3 44.6 4.7 59 60 A P T 3 S+ 0 0 1 0, 0.0 -43,-0.2 0, 0.0 3,-0.1 -0.294 86.9 27.4 -66.9 154.7 8.7 46.2 1.6 60 61 A Q T 3 S+ 0 0 67 1,-0.3 2,-0.3 -54,-0.1 112,-0.2 0.855 97.7 111.9 63.0 35.8 9.2 44.6 -1.8 61 62 A T < - 0 0 3 -3,-0.6 2,-0.4 111,-0.1 -1,-0.3 -0.929 50.3-158.8-130.5 160.9 9.6 41.1 -0.4 62 63 A L - 0 0 58 106,-1.3 109,-0.2 -2,-0.3 110,-0.1 -0.911 14.6-160.1-146.1 109.6 7.5 38.0 -0.6 63 64 A S > - 0 0 18 4,-3.4 3,-1.8 -2,-0.4 6,-0.1 -0.144 42.1 -81.2 -82.8 179.3 7.9 35.3 2.0 64 65 A G T 3 S+ 0 0 80 1,-0.3 37,-0.1 2,-0.1 -1,-0.1 0.762 128.6 50.2 -51.1 -31.7 6.9 31.6 2.0 65 66 A D T 3 S- 0 0 69 2,-0.3 -1,-0.3 3,-0.1 37,-0.0 0.483 119.9-102.8 -90.5 -1.3 3.3 32.5 2.9 66 67 A G S < S+ 0 0 46 -3,-1.8 -2,-0.1 1,-0.4 -1,-0.0 0.496 92.0 107.1 92.1 -0.4 2.7 35.2 0.3 67 68 A D S S- 0 0 84 1,-0.1 -4,-3.4 -5,-0.0 -1,-0.4 -0.767 80.4 -91.8-102.4 157.6 3.2 38.0 2.8 68 69 A P - 0 0 19 0, 0.0 2,-0.3 0, 0.0 -6,-0.2 -0.115 59.1 -75.7 -59.0 164.9 6.3 40.3 3.0 69 70 A V E -D 58 0B 0 -11,-0.5 -11,-2.3 96,-0.1 2,-0.3 -0.499 53.4-131.2 -67.0 125.0 9.2 39.2 5.3 70 71 A D E -D 57 0B 18 33,-0.5 35,-2.5 -2,-0.3 2,-0.4 -0.602 24.7-168.6 -81.4 140.2 8.2 40.0 9.0 71 72 A V E -De 56 105B 0 -15,-2.5 -15,-2.4 -2,-0.3 2,-0.6 -0.992 20.6-156.5-137.4 129.9 10.5 41.9 11.4 72 73 A L E -De 55 106B 2 33,-2.9 35,-3.5 -2,-0.4 2,-0.5 -0.932 21.1-162.8 -93.0 118.4 10.7 42.6 15.1 73 74 A V E -De 54 107B 0 -19,-1.9 -19,-1.5 -2,-0.6 2,-0.4 -0.937 7.1-148.0-110.1 119.0 12.8 45.8 15.7 74 75 A I + 0 0 20 33,-2.5 -21,-0.1 -2,-0.5 43,-0.0 -0.736 28.5 163.0 -84.2 126.1 14.1 46.5 19.2 75 76 A T - 0 0 28 -2,-0.4 -21,-0.1 33,-0.1 4,-0.0 -0.971 49.1-118.9-139.1 156.8 14.4 50.2 20.1 76 77 A P S S+ 0 0 71 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.780 104.6 24.7 -69.0 -21.3 14.8 52.3 23.3 77 78 A F S S- 0 0 165 -3,-0.0 -54,-0.1 0, 0.0 0, 0.0 -0.988 101.5 -91.7-135.6 146.5 11.4 54.1 22.7 78 79 A P - 0 0 80 0, 0.0 2,-0.3 0, 0.0 -4,-0.0 -0.169 42.0-125.5 -58.6 150.3 8.4 52.7 20.6 79 80 A L - 0 0 41 -58,-0.1 2,-0.2 1,-0.1 3,-0.0 -0.689 28.0 -95.9 -93.6 153.9 8.4 53.7 16.9 80 81 A L > - 0 0 136 -2,-0.3 3,-1.9 1,-0.1 -61,-0.3 -0.464 40.5-111.8 -65.9 128.7 5.5 55.4 15.1 81 82 A A T 3 S+ 0 0 41 1,-0.3 -61,-0.2 -2,-0.2 -1,-0.1 -0.424 104.8 23.9 -62.0 131.9 3.1 53.1 13.2 82 83 A G T 3 S+ 0 0 29 -63,-3.4 -1,-0.3 1,-0.4 2,-0.1 0.342 97.5 120.4 92.3 -6.1 3.5 53.7 9.4 83 84 A S < - 0 0 35 -3,-1.9 -64,-2.8 -64,-0.1 2,-0.4 -0.438 59.2-125.3 -82.2 166.5 7.0 55.0 9.7 84 85 A V E -B 18 0B 76 -66,-0.2 2,-0.4 -2,-0.1 -66,-0.2 -0.932 21.3-170.6-116.2 135.7 10.1 53.6 8.1 85 86 A V E -B 17 0B 10 -68,-2.2 -68,-1.9 -2,-0.4 2,-0.4 -0.994 23.2-131.0-129.4 127.3 13.3 52.6 9.9 86 87 A R E +B 16 0B 78 -2,-0.4 24,-2.2 -70,-0.2 2,-0.2 -0.699 45.3 175.8 -71.5 126.5 16.7 51.6 8.3 87 88 A A E -BF 15 109B 1 -72,-3.3 -72,-1.8 -2,-0.4 2,-0.3 -0.802 30.7-147.6-135.8 167.6 17.7 48.3 10.1 88 89 A R E - F 0 108B 48 20,-2.7 20,-2.1 -2,-0.2 2,-0.2 -0.962 32.7-104.7-135.9 158.2 20.2 45.4 10.4 89 90 A A E + F 0 107B 4 -76,-0.4 18,-0.2 -2,-0.3 69,-0.1 -0.484 27.8 175.4 -93.2 149.1 19.5 41.8 11.4 90 91 A L E - 0 0 0 16,-2.9 33,-2.2 1,-0.4 68,-0.4 0.592 63.2 -76.1-112.3 -28.3 20.3 40.0 14.6 91 92 A G E - F 0 106B 0 15,-1.4 15,-2.2 66,-0.2 -1,-0.4 -0.979 49.9 -91.4 159.2-155.5 18.7 36.6 13.9 92 93 A M E -GF 156 105B 11 64,-2.6 64,-2.1 -2,-0.3 2,-0.5 -0.999 11.2-127.4-159.1 153.4 15.2 35.0 13.7 93 94 A L E -GF 155 104B 0 11,-3.2 11,-2.3 -2,-0.3 2,-0.4 -0.930 27.8-150.5-101.5 123.4 12.5 33.2 15.6 94 95 A K E +GF 154 103B 83 60,-3.4 59,-2.4 -2,-0.5 60,-1.5 -0.813 29.9 149.7 -96.4 133.0 11.4 30.0 13.8 95 96 A M E -GF 152 102B 5 7,-0.8 7,-3.1 -2,-0.4 2,-0.4 -0.942 36.7-140.1-147.4 166.0 7.8 28.9 14.3 96 97 A T E +GF 151 101B 34 55,-2.3 55,-2.9 -2,-0.3 5,-0.2 -0.994 26.6 177.8-128.1 137.6 4.9 27.1 12.6 97 98 A D E > -GF 150 100B 17 3,-2.7 3,-2.4 -2,-0.4 53,-0.2 -0.579 52.4 -69.6-122.4-168.6 1.3 28.3 13.0 98 99 A E T 3 S+ 0 0 59 51,-1.2 3,-0.1 1,-0.3 52,-0.1 0.772 133.3 48.7 -56.7 -25.0 -2.1 27.4 11.7 99 100 A S T 3 S- 0 0 94 1,-0.3 -1,-0.3 50,-0.2 2,-0.2 0.172 119.3-105.3-101.1 18.2 -1.1 28.6 8.2 100 101 A G E < S+ F 0 97B 35 -3,-2.4 -3,-2.7 2,-0.1 -1,-0.3 -0.573 78.0 18.3 98.0-159.1 2.2 26.7 8.1 101 102 A V E - F 0 96B 115 -5,-0.2 2,-0.3 -2,-0.2 -5,-0.3 -0.126 58.8-179.0 -54.7 139.4 5.9 27.8 8.5 102 103 A D E + F 0 95B 10 -7,-3.1 -7,-0.8 -38,-0.1 2,-0.4 -0.765 5.1 177.6-148.4 95.6 6.4 31.2 10.1 103 104 A A E - F 0 94B 12 -2,-0.3 -33,-0.5 -9,-0.2 2,-0.4 -0.807 7.9-167.1 -95.4 138.8 9.8 32.8 10.6 104 105 A K E - F 0 93B 7 -11,-2.3 -11,-3.2 -2,-0.4 -33,-0.2 -0.997 15.1-134.5-124.8 131.0 10.1 36.3 12.0 105 106 A L E -eF 71 92B 0 -35,-2.5 -33,-2.9 -2,-0.4 2,-0.5 -0.410 7.9-144.3 -76.0 155.3 13.4 38.3 12.0 106 107 A V E +eF 72 91B 1 -15,-2.2 -16,-2.9 -35,-0.2 -15,-1.4 -0.987 33.1 163.7-120.7 128.1 14.7 40.1 15.0 107 108 A A E -eF 73 89B 0 -35,-3.5 -33,-2.5 -2,-0.5 -18,-0.2 -0.850 29.1-151.4-139.1 167.6 16.4 43.4 14.1 108 109 A V E - F 0 88B 0 -20,-2.1 -20,-2.7 -2,-0.3 -33,-0.1 -0.914 40.0 -89.4-131.7 164.0 17.7 46.7 15.4 109 110 A P E - F 0 87B 2 0, 0.0 -22,-0.3 0, 0.0 8,-0.1 -0.230 57.3 -77.0 -65.3 162.9 18.1 50.1 13.6 110 111 A H >> - 0 0 59 -24,-2.2 4,-2.7 -95,-0.1 3,-1.1 -0.291 49.9-109.9 -47.5 141.4 21.3 51.0 11.7 111 112 A D T 34 S+ 0 0 66 1,-0.3 7,-0.2 2,-0.2 -1,-0.1 0.762 118.5 50.9 -53.7 -32.6 24.0 52.1 14.1 112 113 A K T 34 S+ 0 0 81 1,-0.1 -1,-0.3 2,-0.1 -2,-0.0 0.754 112.6 47.4 -79.7 -22.8 23.8 55.8 13.1 113 114 A V T <4 S+ 0 0 83 -3,-1.1 -2,-0.2 1,-0.2 -1,-0.1 0.924 130.7 18.3 -77.7 -44.6 20.0 55.8 13.6 114 115 A C >< + 0 0 7 -4,-2.7 3,-1.7 1,-0.1 4,-0.3 -0.732 59.6 170.9-131.8 83.4 20.2 54.1 17.0 115 116 A P G > S+ 0 0 80 0, 0.0 3,-1.4 0, 0.0 4,-0.3 0.804 77.7 71.9 -56.9 -27.5 23.6 54.2 18.7 116 117 A M G 3 S+ 0 0 141 1,-0.3 3,-0.2 2,-0.1 -5,-0.1 0.680 101.6 41.0 -62.6 -25.0 21.9 52.8 21.8 117 118 A T G X S+ 0 0 9 -3,-1.7 3,-2.2 1,-0.1 -1,-0.3 0.337 81.7 107.4-106.1 7.3 21.6 49.4 20.2 118 119 A A T < S+ 0 0 22 -3,-1.4 -2,-0.1 -4,-0.3 -1,-0.1 0.797 73.4 59.9 -57.4 -30.9 25.1 49.3 18.5 119 120 A N T 3 S+ 0 0 137 -4,-0.3 2,-0.9 -3,-0.2 -1,-0.3 0.474 80.3 93.6 -82.0 -2.7 26.4 46.7 21.0 120 121 A L < + 0 0 33 -3,-2.2 3,-0.1 1,-0.2 -12,-0.1 -0.842 45.9 161.3 -86.3 104.6 23.8 44.2 19.9 121 122 A K - 0 0 124 -2,-0.9 2,-0.3 1,-0.2 -1,-0.2 0.683 61.0 -1.2 -97.0 -28.2 25.7 42.2 17.3 122 123 A S S > S- 0 0 28 -3,-0.2 3,-2.2 35,-0.1 4,-0.4 -0.956 83.8 -85.2-153.4 174.4 23.6 39.1 17.1 123 124 A I G > S+ 0 0 9 -33,-2.2 3,-1.3 -2,-0.3 -32,-0.1 0.790 120.1 66.6 -52.6 -32.0 20.6 37.4 18.6 124 125 A D G 3 S+ 0 0 122 1,-0.3 -1,-0.3 -34,-0.2 4,-0.1 0.664 94.2 58.6 -68.2 -17.3 22.9 36.0 21.4 125 126 A D G < S+ 0 0 72 -3,-2.2 -1,-0.3 -35,-0.1 -2,-0.2 0.628 80.5 102.6 -85.7 -15.2 23.3 39.6 22.7 126 127 A V S < S- 0 0 5 -3,-1.3 5,-0.1 -4,-0.4 -3,-0.0 -0.518 89.5 -99.0 -68.8 132.1 19.6 40.1 23.3 127 128 A P > - 0 0 59 0, 0.0 4,-2.4 0, 0.0 3,-0.3 -0.193 26.0-126.6 -50.9 141.3 18.8 39.8 27.0 128 129 A A H > S+ 0 0 66 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.861 109.0 58.3 -58.6 -36.1 17.4 36.4 27.9 129 130 A Y H > S+ 0 0 149 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.899 108.9 44.7 -63.7 -39.7 14.4 38.0 29.5 130 131 A L H > S+ 0 0 18 -3,-0.3 4,-2.7 2,-0.2 5,-0.2 0.945 112.1 50.8 -68.0 -51.2 13.4 39.8 26.3 131 132 A K H X S+ 0 0 42 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.949 112.6 48.7 -45.5 -53.3 14.0 36.7 24.2 132 133 A D H X S+ 0 0 105 -4,-3.2 4,-2.4 1,-0.2 -2,-0.2 0.854 110.0 50.5 -59.4 -41.8 11.8 34.8 26.7 133 134 A Q H X S+ 0 0 92 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.883 110.0 50.2 -61.4 -43.0 9.0 37.5 26.5 134 135 A I H X S+ 0 0 1 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.936 112.6 47.0 -63.5 -44.2 9.0 37.4 22.7 135 136 A K H X S+ 0 0 66 -4,-2.3 4,-2.1 -5,-0.2 -2,-0.2 0.927 112.4 48.6 -64.9 -44.9 8.7 33.6 22.6 136 137 A H H X S+ 0 0 102 -4,-2.4 4,-1.7 2,-0.2 5,-0.3 0.913 108.4 56.7 -57.2 -46.8 5.9 33.6 25.3 137 138 A F H >X S+ 0 0 4 -4,-2.6 4,-2.9 1,-0.2 3,-0.6 0.952 110.6 41.9 -50.0 -56.3 4.1 36.3 23.3 138 139 A F H 3< S+ 0 0 2 -4,-2.2 4,-0.3 1,-0.2 -1,-0.2 0.857 113.4 53.3 -66.2 -32.7 4.0 34.2 20.1 139 140 A E H 3< S+ 0 0 74 -4,-2.1 11,-0.3 -5,-0.2 -1,-0.2 0.787 124.8 23.1 -65.3 -27.8 3.1 31.0 22.0 140 141 A Q H X< S+ 0 0 86 -4,-1.7 3,-2.2 -3,-0.6 4,-0.2 0.680 93.2 86.7-118.3 -24.2 0.1 32.7 23.7 141 142 A Y T 3< S+ 0 0 7 -4,-2.9 -94,-0.9 1,-0.3 3,-0.4 0.743 96.5 45.5 -60.2 -23.6 -1.3 35.7 21.8 142 143 A K T > S+ 0 0 14 -4,-0.3 3,-2.2 -5,-0.2 -1,-0.3 0.352 77.8 113.2 -99.3 5.8 -3.7 33.6 19.6 143 144 A A T < S+ 0 0 63 -3,-2.2 -1,-0.2 1,-0.3 -2,-0.1 0.722 77.8 46.7 -48.8 -29.1 -4.9 31.5 22.5 144 145 A L T 3 S+ 0 0 126 -3,-0.4 2,-0.5 -4,-0.2 -1,-0.3 0.217 90.6 90.5-109.5 16.9 -8.4 32.9 22.2 145 146 A E S X S- 0 0 30 -3,-2.2 3,-1.6 3,-0.2 2,-0.1 -0.956 77.8-124.8-111.5 120.8 -9.0 32.7 18.5 146 147 A K T 3 S+ 0 0 108 -2,-0.5 3,-0.1 1,-0.2 -2,-0.1 -0.386 94.3 18.4 -61.6 133.6 -10.6 29.4 17.2 147 148 A G T 3 S+ 0 0 66 1,-0.2 2,-0.4 -2,-0.1 -1,-0.2 0.526 102.5 108.0 85.8 4.9 -8.5 27.7 14.6 148 149 A K < + 0 0 64 -3,-1.6 2,-0.3 -6,-0.2 -1,-0.2 -0.936 35.4 147.8-121.1 141.2 -5.3 29.6 15.4 149 150 A W - 0 0 136 -2,-0.4 -51,-1.2 -3,-0.1 2,-0.3 -0.980 24.9-150.1-162.8 164.0 -2.2 28.3 17.1 150 151 A V E -G 97 0B 24 -11,-0.3 2,-0.5 -2,-0.3 -53,-0.2 -0.962 4.4-169.9-147.7 129.0 1.6 28.6 17.2 151 152 A K E -G 96 0B 43 -55,-2.9 -55,-2.3 -2,-0.3 2,-0.5 -0.984 21.1-140.4-115.9 127.7 4.5 26.3 18.0 152 153 A V E -G 95 0B 25 -2,-0.5 -57,-0.3 -57,-0.2 3,-0.1 -0.765 17.0-176.8 -83.8 122.1 8.0 27.8 18.4 153 154 A E E - 0 0 113 -59,-2.4 2,-0.3 -2,-0.5 -58,-0.2 0.895 49.8 -88.2 -84.3 -47.2 10.7 25.7 16.8 154 155 A G E -G 94 0B 19 -60,-1.5 -60,-3.4 2,-0.0 -1,-0.3 -0.946 40.7 -60.8 161.6-179.4 13.7 27.9 17.9 155 156 A W E -G 93 0B 78 -2,-0.3 2,-0.3 -62,-0.2 -62,-0.2 -0.591 38.2-174.2 -89.9 151.3 16.2 30.7 17.4 156 157 A D E -G 92 0B 72 -64,-2.1 -64,-2.6 -2,-0.2 -33,-0.1 -0.929 19.2-114.7-140.4 167.6 18.6 31.1 14.4 157 158 A G > - 0 0 22 -2,-0.3 4,-1.7 -66,-0.3 3,-0.2 0.023 39.8 -72.3 -99.4-163.6 21.3 33.6 13.7 158 159 A I H > S+ 0 0 52 -68,-0.4 4,-2.5 1,-0.2 -67,-0.2 0.846 122.3 54.8 -62.6 -40.9 22.3 36.4 11.2 159 160 A D H > S+ 0 0 138 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.892 108.4 49.2 -63.7 -41.3 23.1 34.2 8.2 160 161 A A H > S+ 0 0 23 -3,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.901 110.0 52.6 -63.6 -38.2 19.7 32.5 8.4 161 162 A A H X S+ 0 0 0 -4,-1.7 4,-2.2 1,-0.2 -2,-0.2 0.910 108.2 50.8 -60.6 -44.5 18.1 36.0 8.6 162 163 A H H X S+ 0 0 42 -4,-2.5 4,-2.9 2,-0.2 -1,-0.2 0.883 108.3 51.4 -63.1 -40.2 20.0 37.1 5.5 163 164 A K H X S+ 0 0 126 -4,-1.9 4,-3.1 2,-0.2 5,-0.3 0.938 109.1 51.1 -57.5 -52.9 18.9 34.0 3.5 164 165 A E H X S+ 0 0 35 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.906 112.9 46.3 -52.4 -44.6 15.2 34.8 4.4 165 166 A I H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.965 113.2 47.3 -64.2 -52.7 15.7 38.3 3.2 166 167 A T H X S+ 0 0 73 -4,-2.9 4,-2.4 1,-0.2 5,-0.2 0.935 114.0 48.8 -56.4 -46.3 17.5 37.3 -0.1 167 168 A D H X S+ 0 0 66 -4,-3.1 4,-3.2 1,-0.2 5,-0.2 0.931 111.2 50.9 -55.5 -46.7 14.8 34.7 -0.8 168 169 A G H X S+ 0 0 0 -4,-2.1 4,-1.6 -5,-0.3 -106,-1.3 0.901 110.4 47.3 -62.2 -44.7 12.1 37.3 -0.1 169 170 A V H X S+ 0 0 26 -4,-2.6 4,-1.4 -108,-0.2 -1,-0.2 0.951 115.3 46.1 -58.9 -50.5 13.5 39.9 -2.4 170 171 A A H >X S+ 0 0 53 -4,-2.4 3,-0.8 1,-0.2 4,-0.6 0.962 111.9 50.8 -56.3 -57.6 13.9 37.2 -5.2 171 172 A N H >< S+ 0 0 77 -4,-3.2 3,-0.7 1,-0.2 -1,-0.2 0.810 106.1 56.3 -51.0 -36.7 10.4 35.8 -4.7 172 173 A F H 3< S+ 0 0 101 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.871 100.8 55.6 -67.3 -36.5 8.8 39.2 -4.9 173 174 A K H << 0 0 159 -4,-1.4 -1,-0.2 -3,-0.8 -2,-0.2 0.568 360.0 360.0 -76.4 -6.2 10.3 40.0 -8.3 174 175 A K << 0 0 225 -3,-0.7 -1,-0.1 -4,-0.6 -4,-0.1 -0.645 360.0 360.0 117.1 360.0 8.6 36.8 -9.4