==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 17-SEP-08 3EIZ . COMPND 2 MOLECULE: INORGANIC PYROPHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BURKHOLDERIA PSEUDOMALLEI 1710B; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE . 182 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9549.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 116 63.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 2.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 44 24.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.5 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 0.5 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 . 12 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 30 16.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 1 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 1 1 2 0 3 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 -13 A H 0 0 235 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 115.5 -15.2 -22.6 -0.5 2 -12 A M - 0 0 101 1,-0.1 2,-0.0 2,-0.0 0, 0.0 -0.734 360.0-119.1 -94.5 136.5 -16.5 -25.3 1.7 3 -11 A G > - 0 0 35 -2,-0.4 4,-2.3 1,-0.1 3,-0.3 -0.314 25.9-108.0 -70.9 155.9 -19.3 -24.6 4.2 4 -10 A T H > S+ 0 0 122 1,-0.2 4,-1.0 2,-0.2 -1,-0.1 0.869 114.7 54.1 -51.4 -44.8 -18.9 -24.9 7.9 5 -9 A L H 4 S+ 0 0 155 1,-0.2 3,-0.5 2,-0.2 -1,-0.2 0.942 115.6 37.2 -60.1 -46.3 -21.0 -28.1 8.3 6 -8 A E H 4 S+ 0 0 150 -3,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.860 110.2 60.5 -74.4 -34.3 -19.0 -30.1 5.7 7 -7 A A H < 0 0 61 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.624 360.0 360.0 -75.2 -13.1 -15.6 -28.8 6.5 8 -6 A Q < 0 0 200 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.1 0.741 360.0 360.0 -50.5 360.0 -15.7 -30.1 10.1 9 ! 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 10 2 A S > 0 0 85 0, 0.0 3,-3.0 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0 -90.6 -0.5 -34.2 -3.0 11 3 A F G > + 0 0 18 1,-0.3 3,-1.7 31,-0.2 33,-0.1 0.640 360.0 72.1 -38.7 -33.5 0.1 -30.9 -4.9 12 4 A S G 3 S+ 0 0 51 31,-0.7 -1,-0.3 1,-0.3 32,-0.1 0.623 91.3 58.9 -64.0 -14.1 -0.2 -28.9 -1.7 13 5 A N G < S+ 0 0 142 -3,-3.0 -1,-0.3 2,-0.1 -2,-0.2 0.461 81.7 97.8 -95.5 -3.2 3.2 -30.2 -0.6 14 6 A V S < S- 0 0 35 -3,-1.7 2,-0.1 -4,-0.2 13,-0.1 -0.731 82.5-116.9 -81.6 131.7 5.1 -28.8 -3.6 15 7 A P - 0 0 70 0, 0.0 10,-0.2 0, 0.0 3,-0.1 -0.395 10.4-126.6 -69.1 148.1 6.7 -25.5 -2.8 16 8 A A S S- 0 0 7 1,-0.2 9,-2.6 53,-0.2 2,-0.3 0.859 84.9 -26.6 -51.7 -40.3 5.5 -22.4 -4.6 17 9 A G - 0 0 14 7,-0.3 3,-0.4 1,-0.1 7,-0.3 -0.954 43.6-124.1-177.0 156.7 9.2 -21.8 -5.5 18 10 A K S S+ 0 0 146 -2,-0.3 6,-0.2 1,-0.2 -1,-0.1 0.775 113.2 9.4 -76.7 -33.4 12.8 -22.3 -4.6 19 11 A D B >> S-A 23 0A 98 4,-1.9 4,-2.5 -3,-0.1 3,-0.7 -0.531 103.8-118.8-152.1 76.2 13.5 -18.6 -4.7 20 12 A L T 34 S+ 0 0 61 -3,-0.4 4,-0.1 1,-0.3 -3,-0.1 -0.279 79.8 4.7 -69.2 148.4 10.3 -16.6 -4.9 21 13 A P T 34 S+ 0 0 18 0, 0.0 -1,-0.3 0, 0.0 77,-0.2 -0.974 132.7 46.0 -89.5 5.1 9.1 -14.7 -6.8 22 14 A Q T <4 S+ 0 0 97 -3,-0.7 2,-0.5 1,-0.2 76,-0.5 0.863 119.1 36.1 -74.4 -39.1 12.0 -15.1 -9.4 23 15 A D B < S+A 19 0A 23 -4,-2.5 -4,-1.9 74,-0.1 2,-0.3 -0.964 78.8 157.3-121.2 109.7 12.2 -18.9 -9.3 24 16 A F E -B 96 0B 0 72,-1.9 72,-3.3 -2,-0.5 2,-0.3 -0.817 35.9-116.7-134.5 167.2 8.9 -20.7 -9.0 25 17 A N E -B 95 0B 17 -9,-2.6 2,-0.4 -2,-0.3 70,-0.2 -0.837 19.8-161.1-109.9 144.8 7.4 -24.1 -9.7 26 18 A V E -B 94 0B 0 68,-2.2 68,-2.3 -2,-0.3 2,-0.6 -0.992 7.7-151.5-127.5 126.7 4.5 -24.8 -12.1 27 19 A I E -BC 93 66B 3 39,-3.2 39,-2.1 -2,-0.4 2,-0.3 -0.870 27.0-126.7 -97.6 125.6 2.4 -28.0 -12.1 28 20 A I E + C 0 65B 0 64,-3.0 63,-3.3 -2,-0.6 37,-0.3 -0.578 36.7 165.1 -81.8 131.2 1.2 -28.7 -15.6 29 21 A E E S+ 0 0 0 35,-2.6 36,-0.2 -2,-0.3 -1,-0.2 0.749 71.3 24.9-105.3 -43.7 -2.6 -29.2 -16.1 30 22 A I E S- C 0 64B 0 34,-2.3 34,-3.0 8,-0.1 -1,-0.3 -0.961 75.6-139.6-133.1 113.4 -3.1 -28.9 -19.9 31 23 A P > - 0 0 26 0, 0.0 3,-1.7 0, 0.0 29,-0.2 -0.376 36.3 -92.6 -68.7 149.4 -0.2 -29.6 -22.4 32 24 A A T 3 S+ 0 0 12 1,-0.2 31,-0.1 50,-0.2 51,-0.0 -0.335 110.2 9.9 -55.6 138.3 0.1 -27.4 -25.4 33 25 A Q T 3 S+ 0 0 106 27,-3.5 -1,-0.2 1,-0.2 30,-0.1 0.561 92.0 149.6 73.4 9.2 -1.8 -28.7 -28.4 34 26 A S < - 0 0 31 -3,-1.7 26,-0.2 26,-0.2 -1,-0.2 -0.282 61.9 -77.3 -70.8 157.7 -3.6 -31.4 -26.4 35 27 A E - 0 0 139 1,-0.2 2,-2.6 24,-0.1 25,-0.1 -0.253 64.9 -87.2 -53.8 151.9 -7.0 -32.5 -27.5 36 28 A P S S+ 0 0 33 0, 0.0 18,-0.9 0, 0.0 2,-0.4 -0.326 86.5 121.6 -77.7 67.6 -9.6 -29.9 -26.4 37 29 A V E -I 53 0C 19 -2,-2.6 2,-0.5 16,-0.2 16,-0.2 -0.997 54.0-141.0-128.2 121.9 -10.3 -31.1 -22.9 38 30 A K E -I 52 0C 24 14,-3.4 13,-2.8 -2,-0.4 14,-1.6 -0.793 18.1-169.6 -86.8 124.8 -9.7 -28.7 -19.9 39 31 A Y E -I 50 0C 84 -2,-0.5 2,-0.4 11,-0.2 11,-0.2 -0.911 2.8-168.8-112.7 141.9 -8.2 -30.4 -16.8 40 32 A E E -I 49 0C 25 9,-1.9 9,-2.3 -2,-0.4 2,-0.1 -0.998 26.5-115.3-133.4 131.2 -8.0 -28.5 -13.5 41 33 A A E -I 48 0C 5 -2,-0.4 2,-0.9 7,-0.2 7,-0.2 -0.398 12.3-141.9 -65.9 135.1 -6.0 -29.9 -10.5 42 34 A D E >> -I 47 0C 57 5,-3.1 4,-2.2 1,-0.2 5,-1.0 -0.920 17.4-162.7 -94.2 106.5 -7.9 -30.9 -7.4 43 35 A K T 45S+ 0 0 74 -2,-0.9 -31,-0.7 1,-0.2 -1,-0.2 0.905 84.2 50.5 -69.2 -36.4 -5.3 -29.6 -5.0 44 36 A A T 45S+ 0 0 83 1,-0.2 -1,-0.2 -3,-0.1 -32,-0.1 0.959 117.6 37.4 -52.7 -58.2 -6.7 -31.6 -2.1 45 37 A L T 45S- 0 0 120 2,-0.1 -2,-0.2 -35,-0.1 -1,-0.2 0.693 99.1-130.3 -78.9 -19.8 -6.9 -34.9 -4.0 46 38 A G T <5 + 0 0 16 -4,-2.2 2,-0.3 1,-0.3 -3,-0.2 0.842 69.0 115.0 69.9 34.2 -3.6 -34.5 -6.0 47 39 A L E - 0 0 14 -18,-0.9 3,-2.0 -2,-0.9 97,-0.1 -0.117 20.8-146.0 -47.2 114.7 -14.0 -27.0 -24.7 55 47 A G T 3 S+ 0 0 39 1,-0.3 -1,-0.2 95,-0.1 96,-0.1 0.831 99.3 47.4 -61.7 -32.8 -17.2 -26.1 -26.6 56 48 A T T 3 S- 0 0 43 94,-0.9 -1,-0.3 2,-0.1 3,-0.1 0.607 104.8-131.0 -78.6 -11.4 -15.3 -24.4 -29.4 57 49 A G < + 0 0 36 -3,-2.0 2,-0.2 1,-0.2 -2,-0.1 0.635 54.2 153.8 67.2 13.9 -12.9 -27.5 -29.6 58 50 A M - 0 0 49 92,-0.2 2,-0.3 -22,-0.1 -1,-0.2 -0.504 35.9-137.9 -78.6 143.6 -10.0 -25.0 -29.5 59 51 A R - 0 0 110 -2,-0.2 -24,-0.1 -3,-0.1 -27,-0.1 -0.773 23.9 -99.5-101.5 147.3 -6.7 -26.3 -28.1 60 52 A Y - 0 0 4 -2,-0.3 -27,-3.5 -29,-0.2 -26,-0.2 -0.449 25.8-154.1 -59.7 124.7 -4.3 -24.5 -25.7 61 53 A P S S+ 0 0 19 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.548 80.1 28.7 -80.2 -4.5 -1.5 -23.0 -27.9 62 54 A V S S- 0 0 10 -31,-0.1 21,-0.2 21,-0.1 -29,-0.2 -0.940 102.8 -81.8-146.8 161.2 0.9 -23.1 -24.9 63 55 A N E - D 0 82B 0 19,-1.6 19,-2.2 -2,-0.3 2,-0.4 -0.427 43.6-150.7 -69.8 147.6 1.1 -25.3 -21.8 64 56 A Y E +CD 30 81B 5 -34,-3.0 -35,-2.6 17,-0.2 -34,-2.3 -0.962 31.2 131.2-122.8 132.6 -1.2 -24.3 -18.9 65 57 A G E -CD 28 80B 0 15,-2.8 15,-3.0 -2,-0.4 2,-0.3 -0.837 39.1-111.4-158.2-166.8 -0.6 -24.9 -15.3 66 58 A F E -CD 27 79B 0 -39,-2.1 -39,-3.2 13,-0.2 13,-0.2 -0.946 21.2-117.0-139.6 159.8 -0.5 -23.4 -11.8 67 59 A I > - 0 0 0 11,-2.1 3,-0.5 -2,-0.3 11,-0.5 -0.894 40.7-127.9 -95.1 117.5 1.9 -22.5 -9.0 68 60 A P T 3 S+ 0 0 2 0, 0.0 -43,-0.2 0, 0.0 -56,-0.1 -0.196 87.4 27.9 -62.4 159.5 1.1 -24.7 -6.0 69 61 A Q T 3 S+ 0 0 70 1,-0.2 2,-0.3 -54,-0.1 112,-0.2 0.859 96.8 114.2 56.9 38.5 0.6 -23.0 -2.6 70 62 A T < - 0 0 6 -3,-0.5 2,-0.4 111,-0.1 108,-0.2 -0.959 46.4-164.8-131.9 155.0 -0.7 -19.7 -4.2 71 63 A L - 0 0 66 106,-1.9 109,-0.2 -2,-0.3 110,-0.2 -0.939 6.8-164.0-143.2 113.6 -4.1 -18.1 -4.0 72 64 A S > - 0 0 13 4,-3.0 3,-1.4 -2,-0.4 6,-0.0 -0.408 41.5 -96.8 -86.3 172.9 -5.0 -15.4 -6.4 73 65 A G T 3 S+ 0 0 71 1,-0.2 -1,-0.1 -2,-0.1 5,-0.0 0.941 119.9 64.8 -54.0 -47.1 -8.0 -13.2 -5.8 74 66 A D T 3 S- 0 0 69 1,-0.2 -1,-0.2 36,-0.1 -3,-0.0 0.520 116.7-106.7 -59.6 -6.1 -10.3 -15.3 -8.0 75 67 A G S < S+ 0 0 48 -3,-1.4 -1,-0.2 1,-0.5 -2,-0.1 0.091 90.7 107.3 96.4 -22.5 -10.0 -18.5 -5.8 76 68 A D S S- 0 0 50 1,-0.1 -4,-3.0 -5,-0.1 -1,-0.5 -0.415 79.1-108.1 -73.5 158.4 -7.7 -20.2 -8.3 77 69 A P - 0 0 3 0, 0.0 2,-0.3 0, 0.0 -6,-0.2 -0.307 62.3 -67.4 -63.9 171.1 -4.0 -20.6 -7.6 78 70 A V - 0 0 1 -11,-0.5 -11,-2.1 96,-0.1 2,-0.3 -0.558 61.3-140.9 -60.9 122.8 -1.8 -18.3 -9.8 79 71 A D E -D 66 0B 2 33,-0.5 35,-2.6 -2,-0.3 2,-0.4 -0.726 19.3-164.8 -95.4 143.6 -2.3 -19.7 -13.3 80 72 A V E -De 65 114B 0 -15,-3.0 -15,-2.8 -2,-0.3 2,-0.6 -0.979 21.2-149.5-135.4 137.0 0.6 -19.9 -15.7 81 73 A L E -De 64 115B 3 33,-3.2 35,-3.2 -2,-0.4 2,-0.6 -0.930 23.0-162.6 -98.2 120.6 1.2 -20.3 -19.4 82 74 A V E -De 63 116B 0 -19,-2.2 -19,-1.6 -2,-0.6 2,-0.4 -0.939 6.6-147.5-113.1 120.3 4.6 -22.1 -19.9 83 75 A I + 0 0 18 33,-2.5 -21,-0.1 -2,-0.6 43,-0.0 -0.735 28.8 158.4 -88.7 127.6 6.1 -21.9 -23.4 84 76 A T - 0 0 28 -2,-0.4 -21,-0.1 33,-0.1 4,-0.0 -0.970 50.1-120.1-144.4 158.4 8.2 -24.9 -24.5 85 77 A P S S+ 0 0 68 0, 0.0 -2,-0.0 0, 0.0 -1,-0.0 0.632 104.5 29.4 -77.1 -14.0 9.3 -26.4 -27.8 86 78 A F S S- 0 0 159 -3,-0.0 -54,-0.1 0, 0.0 0, 0.0 -0.985 100.6 -95.3-138.8 144.1 7.5 -29.7 -27.1 87 79 A P - 0 0 73 0, 0.0 2,-0.2 0, 0.0 -4,-0.1 -0.250 40.2-125.6 -59.8 142.8 4.4 -30.1 -24.9 88 80 A L - 0 0 42 -58,-0.1 2,-0.2 1,-0.1 3,-0.1 -0.508 29.0 -95.1 -85.4 156.1 4.9 -31.0 -21.3 89 81 A L > - 0 0 132 -2,-0.2 3,-1.9 1,-0.1 -61,-0.2 -0.518 41.9-108.4 -73.6 131.2 3.3 -34.0 -19.6 90 82 A A T 3 S+ 0 0 42 1,-0.2 -61,-0.2 -2,-0.2 -1,-0.1 -0.386 105.2 22.0 -56.0 133.1 0.1 -33.4 -17.7 91 83 A G T 3 S+ 0 0 39 -63,-3.3 -1,-0.2 1,-0.3 -62,-0.1 0.394 96.4 122.2 86.8 -3.2 0.7 -33.6 -14.0 92 84 A S < - 0 0 32 -3,-1.9 -64,-3.0 -64,-0.1 2,-0.4 -0.395 55.3-130.5 -81.1 167.8 4.5 -32.9 -14.3 93 85 A V E -B 27 0B 86 -66,-0.2 2,-0.4 -2,-0.1 -66,-0.2 -0.943 18.7-169.9-124.3 141.6 6.3 -30.1 -12.5 94 86 A V E -B 26 0B 15 -68,-2.3 -68,-2.2 -2,-0.4 2,-0.3 -0.992 24.0-127.5-132.1 135.4 8.7 -27.6 -14.0 95 87 A R E -B 25 0B 106 -2,-0.4 24,-1.0 -70,-0.2 2,-0.3 -0.623 45.3-174.6 -73.0 134.8 11.0 -25.0 -12.4 96 88 A A E -BF 24 118B 0 -72,-3.3 -72,-1.9 -2,-0.3 2,-0.3 -0.878 30.1-150.1-138.7 158.1 10.2 -21.7 -14.2 97 89 A R E - F 0 117B 42 20,-2.5 20,-2.1 -2,-0.3 2,-0.2 -0.946 33.7-109.8-123.3 151.3 11.0 -18.0 -14.6 98 90 A A E + F 0 116B 6 -76,-0.5 18,-0.3 -2,-0.3 69,-0.1 -0.551 27.3 176.9 -85.6 144.0 8.6 -15.2 -15.5 99 91 A L E - 0 0 0 16,-3.3 33,-2.2 1,-0.4 68,-0.3 0.614 62.8 -81.1-103.9 -29.1 8.3 -13.3 -18.8 100 92 A G E - F 0 115B 0 15,-1.5 15,-3.0 31,-0.2 -1,-0.4 -0.992 49.2 -64.2 158.2-154.9 5.3 -11.3 -17.9 101 93 A M E -GF 165 114B 7 64,-2.4 64,-2.4 -2,-0.3 2,-0.6 -0.975 17.3-145.1-137.5 139.8 1.5 -11.2 -17.6 102 94 A L E -GF 164 113B 0 11,-3.3 11,-2.1 -2,-0.4 2,-0.4 -0.957 28.3-148.6-102.4 112.4 -1.5 -11.5 -19.9 103 95 A K E +G 163 0B 65 60,-2.7 59,-3.0 -2,-0.6 60,-1.3 -0.691 32.1 149.8 -84.3 126.4 -4.1 -9.2 -18.3 104 96 A M E -G 161 0B 4 -2,-0.4 7,-2.6 57,-0.3 2,-0.3 -0.970 30.2-153.0-148.2 162.8 -7.7 -10.3 -18.8 105 97 A T E -GH 160 110B 39 55,-2.6 55,-3.1 -2,-0.3 2,-0.2 -0.977 12.4-171.1-134.9 150.0 -11.1 -10.1 -17.2 106 98 A D E > -GH 159 109B 26 3,-2.7 3,-1.2 -2,-0.3 53,-0.2 -0.706 49.3 -76.7-128.4-175.7 -14.0 -12.5 -17.5 107 99 A E T 3 S+ 0 0 59 51,-1.3 52,-0.1 1,-0.2 3,-0.1 0.702 130.3 46.6 -53.9 -22.0 -17.6 -12.5 -16.4 108 100 A S T 3 S- 0 0 103 1,-0.3 2,-0.3 50,-0.2 -1,-0.2 0.610 119.9 -87.9-101.7 -15.4 -16.5 -13.4 -12.9 109 101 A G E < S+H 106 0B 32 -3,-1.2 -3,-2.7 2,-0.0 -1,-0.3 -0.980 80.8 8.6 144.5-157.9 -13.7 -10.9 -12.4 110 102 A V E -H 105 0B 92 -2,-0.3 -5,-0.3 -5,-0.2 -36,-0.1 -0.261 50.3-179.8 -56.0 149.3 -9.9 -10.5 -12.9 111 103 A D + 0 0 9 -7,-2.6 2,-0.2 49,-0.1 -6,-0.1 -0.271 13.1 164.6-152.5 46.4 -8.5 -13.3 -15.0 112 104 A A - 0 0 20 -9,-0.1 -33,-0.5 49,-0.0 2,-0.4 -0.504 18.5-159.8 -78.6 144.1 -4.8 -12.6 -15.3 113 105 A K E - F 0 102B 4 -11,-2.1 -11,-3.3 -2,-0.2 2,-0.2 -0.965 13.9-132.0-124.4 134.6 -2.3 -15.4 -16.5 114 106 A L E -eF 80 101B 1 -35,-2.6 -33,-3.2 -2,-0.4 2,-0.5 -0.610 16.1-141.2 -81.5 147.9 1.4 -15.4 -15.9 115 107 A V E +eF 81 100B 0 -15,-3.0 -16,-3.3 -2,-0.2 -15,-1.5 -0.973 33.4 164.2-110.9 127.7 3.6 -16.1 -18.9 116 108 A A E -eF 82 98B 0 -35,-3.2 -33,-2.5 -2,-0.5 -18,-0.2 -0.887 26.1-158.9-140.9 165.4 6.6 -18.3 -18.1 117 109 A V E - F 0 97B 0 -20,-2.1 -20,-2.5 -2,-0.3 -33,-0.1 -0.935 35.5 -96.3-136.8 161.7 9.4 -20.5 -19.5 118 110 A P E - F 0 96B 4 0, 0.0 -22,-0.2 0, 0.0 -21,-0.1 -0.215 58.2 -77.5 -67.0 169.6 11.6 -23.2 -17.9 119 111 A H > - 0 0 41 -24,-1.0 4,-3.2 1,-0.1 3,-0.4 -0.404 42.8-112.9 -65.0 150.1 15.1 -22.3 -16.7 120 112 A D T 4 S+ 0 0 62 1,-0.3 7,-0.2 2,-0.2 -1,-0.1 0.795 117.1 53.3 -54.8 -36.8 17.7 -21.9 -19.3 121 113 A K T 4 S+ 0 0 102 1,-0.2 -1,-0.3 2,-0.1 6,-0.0 0.913 115.1 41.9 -68.0 -42.6 19.7 -24.9 -18.2 122 114 A V T 4 S+ 0 0 99 -3,-0.4 -2,-0.2 1,-0.2 -1,-0.2 0.908 132.5 20.5 -64.4 -49.6 16.5 -27.0 -18.4 123 115 A C >< + 0 0 9 -4,-3.2 3,-1.5 1,-0.1 -1,-0.2 -0.760 59.7 173.2-129.3 86.6 15.3 -25.5 -21.7 124 116 A P G > S+ 0 0 78 0, 0.0 3,-1.5 0, 0.0 4,-0.4 0.794 77.3 72.9 -62.5 -26.8 18.1 -23.8 -23.8 125 117 A M G 3 S+ 0 0 122 1,-0.3 3,-0.2 2,-0.1 -5,-0.1 0.742 102.6 39.5 -56.9 -28.2 15.5 -23.4 -26.6 126 118 A T G X S+ 0 0 7 -3,-1.5 3,-1.7 1,-0.1 -1,-0.3 0.300 83.2 103.1-105.5 9.3 13.7 -20.7 -24.6 127 119 A A T < S+ 0 0 26 -3,-1.5 -1,-0.1 1,-0.3 -2,-0.1 0.821 74.4 63.4 -61.8 -29.1 16.8 -18.9 -23.2 128 120 A N T 3 S+ 0 0 108 -4,-0.4 2,-1.1 -3,-0.2 -1,-0.3 0.594 82.2 89.7 -70.6 -14.8 16.4 -16.1 -25.8 129 121 A L < + 0 0 11 -3,-1.7 -1,-0.1 1,-0.2 3,-0.1 -0.750 43.3 155.9 -87.7 99.8 13.1 -15.2 -24.2 130 122 A K + 0 0 125 -2,-1.1 2,-0.3 1,-0.2 -1,-0.2 0.759 66.7 1.2 -91.7 -32.9 14.0 -12.6 -21.5 131 123 A S S >> S- 0 0 32 35,-0.0 3,-1.9 1,-0.0 4,-0.5 -0.935 85.0 -87.9-148.3 171.2 10.6 -10.8 -21.4 132 124 A I G >4 S+ 0 0 7 -33,-2.2 3,-1.4 -2,-0.3 -32,-0.1 0.834 119.7 66.8 -53.4 -32.8 7.2 -10.9 -22.8 133 125 A D G 34 S+ 0 0 128 1,-0.3 -1,-0.3 -34,-0.2 4,-0.1 0.785 93.5 58.6 -66.0 -23.3 8.4 -8.6 -25.7 134 126 A D G <4 S+ 0 0 72 -3,-1.9 -1,-0.3 -35,-0.1 -2,-0.2 0.663 80.2 104.4 -77.2 -18.8 10.7 -11.4 -27.0 135 127 A V S << S- 0 0 2 -3,-1.4 5,-0.1 -4,-0.5 -3,-0.0 -0.455 90.8 -95.8 -64.9 132.8 7.7 -13.8 -27.5 136 128 A P > - 0 0 60 0, 0.0 4,-2.3 0, 0.0 3,-0.3 -0.197 26.0-129.1 -54.3 137.2 6.9 -14.0 -31.2 137 129 A A H > S+ 0 0 65 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.858 108.1 56.0 -46.1 -46.1 4.1 -11.6 -32.2 138 130 A Y H > S+ 0 0 153 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.900 109.6 46.5 -62.9 -35.8 2.3 -14.4 -34.0 139 131 A L H > S+ 0 0 16 -3,-0.3 4,-2.7 2,-0.2 -2,-0.2 0.901 111.2 49.3 -76.4 -40.8 2.3 -16.5 -30.8 140 132 A K H X S+ 0 0 32 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.883 113.9 47.5 -60.5 -37.7 1.1 -13.6 -28.5 141 133 A D H X S+ 0 0 108 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.869 112.1 50.6 -69.2 -38.4 -1.7 -12.9 -31.0 142 134 A Q H X S+ 0 0 92 -4,-1.9 4,-2.1 -5,-0.3 -2,-0.2 0.888 111.3 47.0 -65.2 -40.9 -2.5 -16.5 -31.1 143 135 A I H X S+ 0 0 2 -4,-2.7 4,-2.2 2,-0.2 5,-0.2 0.919 113.1 49.2 -68.0 -45.5 -2.6 -16.7 -27.3 144 136 A K H X S+ 0 0 70 -4,-2.3 4,-2.4 -5,-0.2 -2,-0.2 0.954 111.9 48.4 -55.7 -51.4 -4.8 -13.6 -27.1 145 137 A H H X S+ 0 0 103 -4,-2.6 4,-1.4 1,-0.2 5,-0.2 0.905 108.8 55.0 -59.6 -42.7 -7.2 -14.9 -29.7 146 138 A F H >X S+ 0 0 7 -4,-2.1 4,-2.9 1,-0.2 3,-0.5 0.937 110.2 44.5 -53.5 -52.5 -7.5 -18.2 -27.9 147 139 A F H 3< S+ 0 0 4 -4,-2.2 4,-0.5 1,-0.2 -2,-0.2 0.904 113.3 51.6 -65.4 -34.8 -8.5 -16.6 -24.6 148 140 A E H 3< S+ 0 0 62 -4,-2.4 11,-0.4 -5,-0.2 -1,-0.2 0.774 124.9 24.4 -65.8 -25.6 -10.9 -14.3 -26.4 149 141 A Q H X< S+ 0 0 83 -4,-1.4 3,-2.1 -3,-0.5 4,-0.2 0.661 95.4 84.5-119.8 -23.9 -12.7 -17.2 -28.2 150 142 A Y T 3< S+ 0 0 8 -4,-2.9 -94,-0.9 1,-0.3 3,-0.4 0.848 99.6 40.0 -62.5 -35.4 -12.2 -20.5 -26.4 151 143 A K T > S+ 0 0 44 -4,-0.5 3,-2.5 -5,-0.2 -1,-0.3 0.278 81.6 115.2 -91.7 15.2 -15.2 -20.0 -24.1 152 144 A A T < S+ 0 0 56 -3,-2.1 -1,-0.2 1,-0.3 -2,-0.1 0.748 79.6 43.4 -58.6 -28.1 -17.3 -18.5 -26.8 153 145 A L T 3 S+ 0 0 122 -3,-0.4 2,-0.7 -4,-0.2 -1,-0.3 0.143 87.0 104.6-106.2 17.8 -19.8 -21.4 -26.7 154 146 A E S X S- 0 0 22 -3,-2.5 3,-1.7 3,-0.1 -3,-0.0 -0.894 79.1-119.8 -94.7 116.8 -19.9 -21.6 -22.9 155 147 A K T 3 S+ 0 0 99 -2,-0.7 3,-0.1 1,-0.2 -2,-0.1 -0.270 92.9 10.3 -60.5 139.0 -23.3 -20.1 -21.8 156 148 A G T 3 S+ 0 0 68 1,-0.2 -1,-0.2 -49,-0.0 2,-0.2 0.141 106.2 115.1 81.9 -19.3 -22.9 -17.1 -19.5 157 149 A K < + 0 0 78 -3,-1.7 2,-0.3 -6,-0.2 -1,-0.2 -0.542 32.6 160.7 -95.9 146.8 -19.2 -16.8 -20.1 158 150 A W - 0 0 121 -2,-0.2 -51,-1.3 -3,-0.1 2,-0.4 -0.979 17.8-156.2-153.7 158.1 -16.9 -14.3 -21.7 159 151 A V E -G 106 0B 9 -11,-0.4 2,-0.4 -2,-0.3 -53,-0.2 -0.998 5.4-171.8-137.5 130.8 -13.3 -13.2 -21.7 160 152 A K E -G 105 0B 133 -55,-3.1 -55,-2.6 -2,-0.4 2,-0.4 -0.987 15.4-143.4-121.1 133.5 -11.7 -9.9 -22.5 161 153 A V E -G 104 0B 23 -2,-0.4 -57,-0.3 -57,-0.2 3,-0.1 -0.794 11.8-173.6 -93.2 131.7 -8.0 -9.4 -22.9 162 154 A E E - 0 0 130 -59,-3.0 2,-0.3 -2,-0.4 -58,-0.2 0.805 50.1 -99.8 -88.2 -37.5 -6.6 -6.0 -21.6 163 155 A G E -G 103 0B 16 -60,-1.3 -60,-2.7 2,-0.0 -1,-0.4 -0.956 46.6 -50.3 144.3-165.0 -3.1 -6.5 -22.9 164 156 A W E -G 102 0B 67 -2,-0.3 2,-0.3 -62,-0.2 -62,-0.2 -0.758 36.8-169.8-110.3 154.9 0.3 -7.5 -21.6 165 157 A D E -G 101 0B 71 -64,-2.4 -64,-2.4 -2,-0.3 -33,-0.1 -0.901 21.7-110.0-133.8 173.5 2.5 -6.5 -18.7 166 158 A G > - 0 0 19 -2,-0.3 4,-2.1 -66,-0.3 -66,-0.2 0.039 39.6 -75.3 -99.7-165.1 6.1 -7.3 -17.8 167 159 A I H > S+ 0 0 59 -68,-0.3 4,-3.0 1,-0.2 5,-0.2 0.851 123.8 54.0 -63.5 -40.6 8.3 -9.1 -15.3 168 160 A D H > S+ 0 0 124 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.927 109.5 48.7 -61.5 -45.7 7.7 -6.8 -12.4 169 161 A A H > S+ 0 0 22 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.889 112.2 49.6 -58.3 -42.5 3.9 -7.1 -12.8 170 162 A A H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.912 108.1 52.2 -67.7 -41.8 4.3 -11.0 -12.9 171 163 A H H X S+ 0 0 36 -4,-3.0 4,-3.2 1,-0.2 5,-0.2 0.926 106.9 54.6 -60.9 -37.8 6.5 -11.0 -9.8 172 164 A K H X S+ 0 0 125 -4,-2.1 4,-3.1 1,-0.2 5,-0.3 0.943 105.9 51.5 -59.6 -44.7 3.8 -9.0 -8.0 173 165 A E H X S+ 0 0 37 -4,-1.8 4,-2.8 2,-0.2 -1,-0.2 0.917 113.8 44.9 -55.2 -44.7 1.2 -11.6 -8.9 174 166 A I H X S+ 0 0 0 -4,-2.1 4,-2.8 2,-0.2 5,-0.3 0.967 113.9 48.3 -64.1 -52.8 3.4 -14.3 -7.5 175 167 A T H X S+ 0 0 73 -4,-3.2 4,-2.5 1,-0.2 -2,-0.2 0.962 116.5 43.2 -50.4 -57.1 4.4 -12.4 -4.4 176 168 A D H X S+ 0 0 59 -4,-3.1 4,-3.2 1,-0.2 5,-0.2 0.914 113.2 52.1 -57.3 -46.7 0.7 -11.6 -3.7 177 169 A G H X S+ 0 0 1 -4,-2.8 -106,-1.9 -5,-0.3 4,-1.6 0.865 110.7 47.1 -62.0 -39.2 -0.5 -15.1 -4.5 178 170 A V H X S+ 0 0 21 -4,-2.8 4,-1.1 -108,-0.2 -1,-0.2 0.918 113.5 49.4 -65.1 -43.4 2.0 -16.7 -2.1 179 171 A A H >< S+ 0 0 51 -4,-2.5 3,-0.8 -5,-0.3 -2,-0.2 0.950 110.5 50.0 -59.5 -49.0 1.0 -14.1 0.6 180 172 A N H >< S+ 0 0 72 -4,-3.2 3,-1.9 1,-0.2 -1,-0.2 0.865 104.0 58.4 -58.8 -39.2 -2.7 -14.8 0.1 181 173 A F H 3< S+ 0 0 87 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.781 104.9 50.2 -66.8 -27.6 -2.3 -18.6 0.4 182 174 A K T << 0 0 161 -4,-1.1 -1,-0.3 -3,-0.8 -2,-0.2 0.395 360.0 360.0 -89.2 4.6 -0.8 -18.2 3.8 183 175 A K < 0 0 140 -3,-1.9 -1,-0.1 -4,-0.2 -4,-0.1 -0.662 360.0 360.0 112.9 360.0 -3.8 -16.0 4.8