==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-MAR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 03-FEB-10 3LO0 . COMPND 2 MOLECULE: INORGANIC PYROPHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: EHRLICHIA CHAFFEENSIS; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE . 156 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8135.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 103 66.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 2.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 43 27.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 1.3 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 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 22 14.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.3 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 1 0 0 1 0 0 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 0 2 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 4 A D 0 0 132 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -48.9 2.6 8.9 32.1 2 5 A N + 0 0 108 2,-0.0 2,-0.4 1,-0.0 0, 0.0 0.264 360.0 78.9 -94.8 9.5 6.3 8.2 31.2 3 6 A V - 0 0 42 11,-0.0 2,-0.1 2,-0.0 -1,-0.0 -0.986 60.2-164.8-124.2 131.6 6.4 10.7 28.1 4 7 A T - 0 0 84 -2,-0.4 54,-0.1 54,-0.0 10,-0.1 -0.455 37.8 -94.3-104.7 177.9 6.7 14.5 28.3 5 8 A G S S- 0 0 8 1,-0.2 9,-1.6 51,-0.2 2,-0.2 0.513 91.0 -37.9 -72.6 -9.1 6.1 17.3 25.9 6 9 A G - 0 0 13 7,-0.3 3,-0.3 1,-0.1 7,-0.2 -0.849 43.9-108.2 159.4 163.9 9.7 17.5 24.8 7 10 A D S S+ 0 0 98 -2,-0.2 6,-0.1 1,-0.2 -1,-0.1 0.863 117.9 11.6 -77.0 -37.2 13.4 17.3 25.5 8 11 A N B >> S-A 12 0A 84 4,-0.7 4,-2.2 -3,-0.1 3,-1.1 -0.529 99.9-134.6-151.4 55.2 14.0 21.0 25.1 9 12 A V T 34 S+ 0 0 47 -3,-0.3 4,-0.1 1,-0.3 -3,-0.1 -0.407 80.5 13.0 -59.5 138.9 10.6 22.6 25.0 10 13 A P T 34 S+ 0 0 27 0, 0.0 -1,-0.3 0, 0.0 3,-0.1 -0.973 128.3 51.0 -97.2 5.8 9.7 24.7 23.1 11 14 A K T <4 S+ 0 0 41 -3,-1.1 2,-0.4 1,-0.2 -2,-0.2 0.824 124.5 25.1 -71.5 -31.7 12.7 24.3 20.6 12 15 A E B < S-A 8 0A 58 -4,-2.2 -4,-0.7 74,-0.2 2,-0.4 -0.999 74.7-173.7-134.6 138.0 12.1 20.6 20.5 13 16 A I E -B 85 0B 0 72,-2.5 72,-3.2 -2,-0.4 2,-0.5 -0.954 23.9-129.3-130.7 144.0 8.8 18.8 21.1 14 17 A N E -B 84 0B 15 -9,-1.6 2,-0.5 -2,-0.4 70,-0.2 -0.805 28.1-164.4 -84.6 131.9 7.8 15.2 21.4 15 18 A V E -B 83 0B 0 68,-2.5 68,-2.6 -2,-0.5 2,-0.7 -0.975 12.9-149.0-121.9 126.7 4.8 14.5 19.2 16 19 A I E -BC 82 55B 25 39,-2.8 39,-2.0 -2,-0.5 2,-0.3 -0.849 26.2-133.0 -89.5 117.5 2.6 11.5 19.6 17 20 A I E + C 0 54B 0 64,-2.5 63,-3.3 -2,-0.7 37,-0.3 -0.570 32.7 169.8 -76.4 131.1 1.3 10.7 16.1 18 21 A E E S+ 0 0 9 35,-2.7 2,-0.4 1,-0.3 36,-0.2 0.749 70.5 26.4-102.5 -40.7 -2.4 10.0 15.8 19 22 A I E S- C 0 53B 0 34,-2.4 34,-2.9 59,-0.1 -1,-0.3 -0.998 76.6-132.0-133.6 130.1 -2.9 10.0 12.0 20 23 A S > - 0 0 22 -2,-0.4 3,-1.0 32,-0.2 29,-0.3 -0.483 31.5-105.6 -79.0 145.2 -0.3 9.1 9.4 21 24 A Q T 3 S+ 0 0 16 1,-0.2 31,-0.1 -2,-0.2 -1,-0.1 -0.355 104.7 19.1 -67.1 153.2 0.2 11.5 6.4 22 25 A N T 3 S+ 0 0 94 27,-1.7 -1,-0.2 1,-0.2 2,-0.2 0.815 97.5 137.2 55.2 31.0 -1.2 10.2 3.1 23 26 A S < - 0 0 34 -3,-1.0 26,-0.2 26,-0.3 -1,-0.2 -0.603 64.8 -78.8 -93.9 169.5 -3.4 7.7 5.0 24 27 A C - 0 0 99 -2,-0.2 2,-2.6 1,-0.1 25,-0.2 -0.144 61.9 -86.8 -56.6 159.4 -7.1 6.8 4.3 25 28 A P S S+ 0 0 47 0, 0.0 18,-2.7 0, 0.0 2,-0.7 -0.249 82.2 135.3 -71.6 54.6 -9.6 9.4 5.7 26 29 A V E -H 42 0C 17 -2,-2.6 2,-1.2 16,-0.2 16,-0.2 -0.901 45.8-151.0-103.4 112.0 -9.7 7.7 9.2 27 30 A K E -H 41 0C 15 14,-2.7 13,-2.9 -2,-0.7 14,-1.1 -0.642 18.4-171.8 -83.7 99.4 -9.5 10.3 12.0 28 31 A Y E -H 39 0C 87 -2,-1.2 2,-0.3 11,-0.2 11,-0.2 -0.589 2.1-172.3 -86.2 153.7 -7.9 8.5 14.9 29 32 A E E -H 38 0C 84 9,-2.1 9,-2.6 -2,-0.2 2,-0.4 -0.984 26.2-120.1-148.0 132.9 -7.7 10.1 18.3 30 33 A F E -H 37 0C 65 -2,-0.3 2,-0.7 7,-0.2 7,-0.2 -0.645 25.7-147.3 -72.5 130.0 -6.0 9.1 21.5 31 34 A D E >> -H 36 0C 46 5,-2.6 4,-2.0 -2,-0.4 5,-1.2 -0.897 7.2-163.2-106.4 109.9 -8.6 8.7 24.2 32 35 A K T 45S+ 0 0 72 -2,-0.7 -1,-0.2 1,-0.2 5,-0.0 0.887 89.3 48.8 -56.8 -44.2 -7.0 9.6 27.6 33 36 A E T 45S+ 0 0 179 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.865 120.0 35.5 -67.9 -42.3 -9.7 7.9 29.6 34 37 A K T 45S- 0 0 135 2,-0.2 -1,-0.2 4,-0.0 -2,-0.2 0.675 97.8-138.5 -81.2 -22.3 -9.6 4.6 27.7 35 38 A N T <5S+ 0 0 123 -4,-2.0 2,-0.3 1,-0.2 -3,-0.2 0.874 70.2 98.1 60.5 39.2 -5.8 4.9 27.2 36 39 A L E - 0 0 0 11,-2.1 3,-1.0 -2,-0.3 11,-0.4 -0.859 45.1-121.4 -94.7 118.0 2.1 17.1 22.4 57 60 A P T 3 S+ 0 0 5 0, 0.0 -43,-0.1 0, 0.0 3,-0.1 -0.275 89.9 15.9 -62.6 139.2 1.7 15.0 25.5 58 61 A H T 3 S+ 0 0 122 1,-0.3 2,-0.3 -54,-0.1 -53,-0.2 0.790 92.8 126.5 65.9 35.1 0.9 16.9 28.7 59 62 A T < - 0 0 10 -3,-1.0 2,-0.3 99,-0.2 -1,-0.3 -0.811 41.9-161.3-111.6 159.0 -0.1 20.1 27.1 60 63 A C - 0 0 71 97,-2.2 5,-0.2 -2,-0.3 0, 0.0 -0.839 7.8-171.0-144.7 101.0 -3.3 21.9 27.7 61 64 A A > - 0 0 32 4,-3.4 3,-1.4 -2,-0.3 6,-0.1 0.044 49.5 -77.8 -76.2-167.8 -4.5 24.5 25.2 62 65 A G T 3 S+ 0 0 87 1,-0.3 -1,-0.0 2,-0.1 95,-0.0 0.928 130.8 55.8 -64.9 -48.2 -7.5 26.8 25.9 63 66 A D T 3 S- 0 0 93 1,-0.1 -1,-0.3 2,-0.1 -2,-0.0 0.385 120.1-108.7 -56.5 -2.7 -10.1 24.2 25.1 64 67 A G S < S+ 0 0 43 -3,-1.4 -2,-0.1 1,-0.3 -1,-0.1 0.182 86.3 118.6 84.9 -17.7 -8.5 22.0 27.7 65 68 A D S S- 0 0 93 -5,-0.2 -4,-3.4 1,-0.1 -1,-0.3 -0.411 72.7 -94.0 -84.7 154.7 -7.1 19.8 24.9 66 69 A P - 0 0 46 0, 0.0 2,-0.3 0, 0.0 -6,-0.1 -0.220 50.8 -88.7 -61.7 159.0 -3.5 19.0 24.1 67 70 A V - 0 0 10 -11,-0.4 -11,-2.1 90,-0.1 2,-0.3 -0.513 44.4-134.7 -68.2 129.1 -1.7 21.2 21.5 68 71 A D E -D 55 0B 32 31,-0.5 33,-2.5 -2,-0.3 2,-0.4 -0.709 22.3-166.3 -91.4 144.7 -2.1 19.7 18.0 69 72 A V E -De 54 101B 0 -15,-2.9 -15,-2.5 -2,-0.3 2,-0.6 -0.987 19.3-151.7-136.1 131.4 0.8 19.4 15.7 70 73 A L E -De 53 102B 0 31,-3.4 33,-2.8 -2,-0.4 2,-0.6 -0.902 18.3-162.6 -91.9 124.4 1.4 18.7 12.0 71 74 A V E -De 52 103B 0 -19,-3.1 -19,-1.7 -2,-0.6 33,-0.2 -0.929 8.4-146.9-111.4 110.9 4.7 17.0 11.4 72 75 A A + 0 0 3 31,-2.4 2,-0.3 -2,-0.6 -21,-0.1 -0.488 30.5 165.7 -69.3 140.4 5.9 17.2 7.8 73 76 A S - 0 0 13 -2,-0.1 4,-0.0 31,-0.1 37,-0.0 -0.983 49.7-121.6-153.7 166.3 7.9 14.1 6.9 74 77 A R S S+ 0 0 132 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.0 0.717 101.9 21.4 -80.4 -24.3 9.4 12.2 3.9 75 78 A F S S- 0 0 135 -3,-0.0 -1,-0.2 0, 0.0 -54,-0.1 -0.981 96.6 -89.2-140.2 151.7 7.4 9.0 4.8 76 79 A P - 0 0 72 0, 0.0 2,-0.4 0, 0.0 -56,-0.1 -0.310 36.0-143.5 -61.3 144.3 4.3 8.4 6.9 77 80 A V - 0 0 32 -58,-0.1 -56,-0.1 4,-0.1 3,-0.1 -0.921 25.9-108.4-108.1 137.4 4.9 7.8 10.7 78 81 A M > - 0 0 137 -2,-0.4 3,-1.8 1,-0.1 -61,-0.3 -0.270 33.7 -98.5 -70.0 149.2 2.6 5.2 12.3 79 82 A S T 3 S+ 0 0 42 1,-0.2 -61,-0.2 -61,-0.2 -1,-0.1 -0.417 110.8 31.1 -57.2 137.0 -0.1 6.1 14.8 80 83 A G T 3 S+ 0 0 39 -63,-3.3 -1,-0.2 1,-0.3 2,-0.2 0.120 90.6 118.9 99.9 -21.5 1.2 5.7 18.3 81 84 A A < - 0 0 22 -3,-1.8 -64,-2.5 -64,-0.1 2,-0.5 -0.515 59.3-132.2 -78.7 145.2 4.8 6.5 17.6 82 85 A V E -B 16 0B 75 -66,-0.2 2,-0.4 -2,-0.2 -66,-0.2 -0.856 23.0-169.6 -92.4 132.6 6.6 9.4 19.3 83 86 A I E -B 15 0B 15 -68,-2.6 -68,-2.5 -2,-0.5 2,-0.6 -0.973 21.5-131.3-120.9 136.4 8.6 11.6 17.0 84 87 A R E +B 14 0B 116 -2,-0.4 22,-1.9 -70,-0.2 2,-0.3 -0.741 43.4 166.2 -82.3 120.1 11.0 14.3 18.1 85 88 A A E -BF 13 105B 0 -72,-3.2 -72,-2.5 -2,-0.6 -14,-0.0 -0.795 32.3-137.3-131.0 169.6 10.1 17.5 16.1 86 89 A R E - F 0 104B 38 18,-2.8 18,-2.4 -2,-0.3 -74,-0.2 -0.998 25.5-122.0-134.8 132.5 10.7 21.2 16.1 87 90 A P E + F 0 103B 4 0, 0.0 16,-0.3 0, 0.0 3,-0.1 -0.413 28.5 172.7 -69.7 147.7 8.1 23.7 15.4 88 91 A V E - 0 0 0 14,-3.3 31,-2.0 1,-0.4 59,-0.5 0.380 63.5 -27.1-128.4 -2.1 8.5 26.1 12.5 89 92 A G E -GF 146 102B 0 13,-1.2 13,-2.6 58,-0.2 -1,-0.4 -0.969 55.7-113.1 171.2 179.8 5.2 27.9 12.5 90 93 A V E -GF 145 101B 0 55,-2.0 55,-2.2 -2,-0.3 2,-0.6 -0.993 11.6-140.3-147.2 136.4 1.5 27.8 13.3 91 94 A L E -GF 144 100B 0 9,-2.8 9,-2.4 -2,-0.3 2,-0.5 -0.893 25.4-155.9 -95.5 120.3 -1.7 27.8 11.3 92 95 A V E +GF 143 99B 23 51,-2.8 50,-2.2 -2,-0.6 51,-1.5 -0.888 19.0 168.6-106.7 123.7 -4.3 30.0 13.1 93 96 A M E -GF 141 98B 12 5,-1.9 5,-4.0 -2,-0.5 2,-0.4 -0.949 27.9-139.4-134.1 156.0 -8.0 29.4 12.5 94 97 A H E G 140 0B 116 46,-3.8 46,-3.3 -2,-0.3 -2,-0.0 -0.919 360.0 360.0-112.5 136.5 -11.4 30.4 13.8 95 98 A D 0 0 128 -2,-0.4 -2,-0.0 44,-0.2 46,-0.0 -0.835 360.0 360.0-124.4 360.0 -14.3 27.9 14.1 96 ! 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 97 102 A E 0 0 155 0, 0.0 2,-0.4 0, 0.0 -3,-0.3 0.000 360.0 360.0 360.0 145.7 -9.8 30.1 17.8 98 103 A D E - F 0 93B 37 -5,-4.0 -5,-1.9 2,-0.0 2,-0.3 -0.956 360.0-168.6-142.4 112.2 -8.1 26.8 16.8 99 104 A V E - F 0 92B 35 -2,-0.4 -31,-0.5 -7,-0.2 2,-0.5 -0.810 8.8-161.7-108.3 148.7 -4.3 26.6 16.1 100 105 A K E - F 0 91B 7 -9,-2.4 -9,-2.8 -2,-0.3 -31,-0.2 -0.980 18.5-137.0-127.6 115.4 -2.2 23.8 14.5 101 106 A I E -eF 69 90B 0 -33,-2.5 -31,-3.4 -2,-0.5 2,-0.5 -0.459 12.0-148.4 -64.9 137.0 1.5 23.8 15.0 102 107 A L E +eF 70 89B 0 -13,-2.6 -14,-3.3 -33,-0.2 -13,-1.2 -0.975 29.3 164.8-105.8 127.4 3.6 23.0 11.9 103 108 A A E -eF 71 87B 0 -33,-2.8 -31,-2.4 -2,-0.5 3,-0.0 -0.897 25.6-146.0-139.6 163.8 6.8 21.2 12.8 104 109 A V E - F 0 86B 0 -18,-2.4 -18,-2.8 -2,-0.3 -31,-0.1 -0.886 37.9 -85.9-126.9 159.0 9.6 19.2 11.1 105 110 A P E - F 0 85B 3 0, 0.0 -20,-0.3 0, 0.0 8,-0.1 -0.339 52.1-104.4 -61.4 147.1 11.6 16.3 12.3 106 111 A T >> - 0 0 3 -22,-1.9 4,-2.5 1,-0.1 3,-1.4 -0.304 32.8-102.9 -70.7 163.2 14.8 17.2 14.2 107 112 A H T 34 S+ 0 0 115 1,-0.3 4,-0.1 2,-0.2 -1,-0.1 0.796 123.3 59.1 -59.7 -31.1 18.2 17.0 12.5 108 113 A K T 34 S+ 0 0 66 1,-0.2 -1,-0.3 2,-0.1 3,-0.2 0.867 112.1 39.3 -58.9 -40.1 18.8 13.8 14.5 109 114 A V T <4 S- 0 0 58 -3,-1.4 2,-0.3 1,-0.3 -2,-0.2 0.888 137.0 -6.1 -86.2 -45.6 15.7 12.2 13.0 110 115 A D >< - 0 0 26 -4,-2.5 3,-0.9 1,-0.1 -1,-0.3 -0.823 49.0-161.7-152.0 121.7 15.9 13.5 9.4 111 116 A Q G > S+ 0 0 124 -2,-0.3 3,-1.8 1,-0.2 4,-0.3 0.613 77.7 89.9 -75.6 -7.9 18.4 16.0 7.9 112 117 A Y G 3 S+ 0 0 159 1,-0.3 3,-0.4 2,-0.1 -1,-0.2 0.838 90.2 44.8 -53.1 -38.3 16.2 16.7 4.9 113 118 A Y G X S+ 0 0 19 -3,-0.9 3,-2.7 1,-0.2 -1,-0.3 0.339 75.8 111.9 -95.4 7.5 14.4 19.5 6.8 114 119 A N T < S+ 0 0 53 -3,-1.8 -1,-0.2 1,-0.3 -2,-0.1 0.825 78.6 53.7 -45.5 -39.2 17.6 21.1 8.2 115 120 A N T 3 S+ 0 0 118 -3,-0.4 2,-0.9 -4,-0.3 -1,-0.3 0.439 85.4 91.4 -82.6 -2.5 17.0 24.1 6.0 116 121 A I < + 0 0 10 -3,-2.7 3,-0.1 1,-0.2 -12,-0.1 -0.848 39.4 148.7 -93.9 104.0 13.4 24.7 7.1 117 122 A K + 0 0 126 -2,-0.9 2,-0.3 1,-0.3 -1,-0.2 0.544 69.1 21.4-107.6 -16.1 13.7 27.2 10.0 118 123 A D S > S- 0 0 32 -3,-0.2 3,-1.9 28,-0.1 -1,-0.3 -0.960 85.4-106.6-150.6 156.2 10.4 28.9 9.6 119 124 A Y G > S+ 0 0 51 -31,-2.0 3,-2.2 -2,-0.3 -30,-0.1 0.864 115.5 64.7 -58.1 -36.2 7.1 27.9 7.9 120 125 A S G 3 S+ 0 0 68 1,-0.3 -1,-0.3 -32,-0.2 4,-0.1 0.613 85.0 74.8 -66.4 -12.0 7.8 30.3 5.0 121 126 A D G < S+ 0 0 83 -3,-1.9 -1,-0.3 2,-0.1 -2,-0.2 0.660 84.2 82.1 -72.9 -18.1 10.8 28.2 4.1 122 127 A F S < S- 0 0 21 -3,-2.2 5,-0.0 -4,-0.3 -6,-0.0 -0.588 102.4 -87.3 -74.9 154.1 8.4 25.6 2.7 123 128 A P >> - 0 0 78 0, 0.0 4,-1.7 0, 0.0 3,-0.9 -0.321 33.8-127.1 -54.4 137.9 6.9 26.1 -0.8 124 129 A V H 3> S+ 0 0 97 1,-0.3 4,-3.1 2,-0.2 5,-0.3 0.855 109.2 63.1 -60.5 -32.6 3.7 28.3 -0.7 125 130 A S H 3> S+ 0 0 86 2,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.890 104.1 47.9 -58.7 -36.9 1.8 25.5 -2.5 126 131 A F H <> S+ 0 0 53 -3,-0.9 4,-1.9 2,-0.2 -2,-0.2 0.962 112.1 47.4 -68.5 -49.0 2.5 23.2 0.4 127 132 A L H X S+ 0 0 10 -4,-1.7 4,-1.9 1,-0.2 -2,-0.2 0.896 112.1 50.8 -58.3 -42.9 1.4 25.8 3.0 128 133 A N H X S+ 0 0 89 -4,-3.1 4,-2.6 1,-0.2 -1,-0.2 0.878 105.6 55.9 -65.9 -36.1 -1.8 26.6 1.0 129 134 A S H X S+ 0 0 66 -4,-1.8 4,-1.9 -5,-0.3 -1,-0.2 0.898 107.5 50.2 -61.8 -39.2 -2.6 22.8 0.8 130 135 A I H X S+ 0 0 0 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.937 111.2 45.9 -65.3 -47.9 -2.5 22.6 4.5 131 136 A S H X S+ 0 0 18 -4,-1.9 4,-1.3 1,-0.2 -2,-0.2 0.911 111.1 53.8 -67.4 -36.4 -4.8 25.6 5.1 132 137 A H H X S+ 0 0 95 -4,-2.6 4,-2.5 1,-0.2 3,-0.2 0.901 105.7 55.1 -57.1 -45.4 -7.3 24.4 2.5 133 138 A F H X S+ 0 0 7 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.938 109.9 43.2 -54.2 -55.1 -7.5 21.0 4.2 134 139 A F H < S+ 0 0 8 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.706 115.2 51.2 -71.4 -20.1 -8.5 22.4 7.6 135 140 A T H < S+ 0 0 39 -4,-1.3 -1,-0.2 -3,-0.2 -2,-0.2 0.926 121.4 28.0 -72.5 -50.0 -11.0 24.8 6.0 136 141 A F H < 0 0 130 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.2 0.445 360.0 360.0-105.4 -5.7 -12.9 22.3 3.9 137 142 A Y < 0 0 60 -4,-1.9 -1,-0.2 -5,-0.2 -3,-0.1 0.878 360.0 360.0 -79.5 360.0 -12.6 19.0 5.6 138 ! 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 0.0 139 151 A V 0 0 91 0, 0.0 2,-0.4 0, 0.0 -44,-0.2 0.000 360.0 360.0 360.0 111.5 -14.1 27.3 9.6 140 152 A S E -G 94 0B 72 -46,-3.3 -46,-3.8 0, 0.0 2,-0.6 -0.991 360.0-142.6-127.8 124.4 -12.2 30.6 9.0 141 153 A V E -G 93 0B 57 -2,-0.4 -48,-0.3 -48,-0.2 3,-0.1 -0.764 14.1-175.6 -93.0 115.5 -8.4 30.6 8.3 142 154 A E E - 0 0 74 -50,-2.2 2,-0.2 -2,-0.6 -49,-0.2 0.803 46.9-116.9 -76.7 -31.1 -6.6 33.6 9.9 143 155 A G E -G 92 0B 26 -51,-1.5 -51,-2.8 2,-0.0 2,-0.3 -0.758 37.2 -40.0 127.0-172.0 -3.2 32.6 8.4 144 156 A W E -G 91 0B 45 -2,-0.2 2,-0.3 -53,-0.2 -53,-0.2 -0.674 42.8-167.1 -93.9 145.6 0.3 31.5 9.2 145 157 A K E -G 90 0B 25 -55,-2.2 -55,-2.0 -2,-0.3 -26,-0.2 -0.904 28.3 -95.2-131.0 161.6 2.4 32.9 12.0 146 158 A D E > -G 89 0B 68 -2,-0.3 4,-1.8 -57,-0.2 3,-0.4 0.015 36.8 -93.3 -83.4 172.9 6.1 32.4 12.6 147 159 A V H > S+ 0 0 30 -59,-0.5 4,-2.4 1,-0.2 -58,-0.2 0.825 120.9 56.4 -52.7 -37.0 8.2 30.0 14.7 148 160 A T H > S+ 0 0 91 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.898 106.7 48.8 -65.9 -42.0 8.4 32.3 17.7 149 161 A V H > S+ 0 0 60 -3,-0.4 4,-2.6 2,-0.2 -1,-0.2 0.922 111.1 51.2 -63.3 -40.8 4.6 32.6 17.9 150 162 A A H X S+ 0 0 0 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.916 109.9 49.3 -63.7 -43.1 4.4 28.8 17.7 151 163 A E H X S+ 0 0 53 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.869 110.4 50.7 -60.5 -39.2 6.9 28.4 20.5 152 164 A K H X S+ 0 0 56 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.898 109.2 50.9 -70.6 -42.3 5.0 30.9 22.7 153 165 A L H X S+ 0 0 53 -4,-2.6 4,-1.0 2,-0.2 -1,-0.2 0.908 110.5 49.6 -58.4 -42.1 1.8 29.0 22.1 154 166 A I H >< S+ 0 0 1 -4,-2.1 3,-0.6 1,-0.2 4,-0.3 0.945 110.8 50.0 -65.3 -42.3 3.6 25.7 23.2 155 167 A L H >< S+ 0 0 86 -4,-2.5 3,-1.5 1,-0.2 -2,-0.2 0.893 107.5 53.0 -62.3 -42.3 4.9 27.4 26.3 156 168 A S H 3< S+ 0 0 96 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.720 107.0 54.4 -67.3 -20.7 1.5 28.7 27.4 157 169 A A T << 0 0 4 -4,-1.0 -97,-2.2 -3,-0.6 -1,-0.3 0.481 360.0 360.0 -89.4 -1.7 0.1 25.2 27.0 158 170 A L < 0 0 109 -3,-1.5 -99,-0.2 -4,-0.3 -100,-0.1 -0.506 360.0 360.0 -77.7 360.0 2.7 23.7 29.4