==== 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-JUN-07 2QFP . COMPND 2 MOLECULE: PURPLE ACID PHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PHASEOLUS VULGARIS; . AUTHOR L.W.GUDDAT,G.S.SCHENK,L.R.GAHAN,T.W.ELLIOT,E.LEUNG . 1696 4 2 0 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 59644.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1073 63.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 94 5.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 336 19.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 7 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 15 0.9 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 . 165 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 162 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 194 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 0.7 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 4 0 4 0 0 0 0 3 5 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 6 8 4 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 . 16 4 12 6 14 7 9 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 . 4 0 8 0 4 4 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 9 A R 0 0 167 0, 0.0 131,-1.8 0, 0.0 132,-0.2 0.000 360.0 360.0 360.0 -9.1 49.9 38.0 164.8 2 10 A D B -A 131 0A 32 129,-0.2 129,-0.3 355,-0.2 355,-0.1 -0.430 360.0-104.7 -67.1 139.0 48.0 40.4 162.6 3 11 A M - 0 0 3 127,-2.4 -1,-0.1 -2,-0.1 4,-0.0 -0.435 40.2-109.0 -66.9 132.8 47.8 39.3 159.0 4 12 A P > - 0 0 57 0, 0.0 3,-1.5 0, 0.0 6,-0.2 -0.134 24.9-110.6 -59.5 160.4 50.2 41.3 156.7 5 13 A L T 3 S+ 0 0 109 1,-0.3 5,-0.1 4,-0.1 -2,-0.1 0.795 116.1 57.0 -62.3 -32.1 48.8 43.7 154.1 6 14 A D T 3 S+ 0 0 140 5,-0.1 -1,-0.3 3,-0.0 5,-0.1 0.449 79.9 127.9 -81.6 0.3 49.7 41.5 151.2 7 15 A S S X S- 0 0 17 -3,-1.5 3,-1.3 1,-0.1 -4,-0.0 -0.195 71.3-118.8 -57.0 149.2 47.7 38.6 152.5 8 16 A D G > S+ 0 0 103 1,-0.3 3,-1.5 2,-0.2 -1,-0.1 0.802 111.5 62.4 -60.2 -31.5 45.3 36.9 150.2 9 17 A V G 3 S+ 0 0 21 1,-0.3 -1,-0.3 169,-0.0 -2,-0.1 0.760 103.7 49.0 -67.8 -23.8 42.3 37.8 152.4 10 18 A F G < S+ 0 0 6 -3,-1.3 -1,-0.3 -6,-0.2 -2,-0.2 0.196 82.4 139.8 -99.1 15.0 43.1 41.5 152.0 11 19 A R < - 0 0 181 -3,-1.5 -3,-0.1 165,-0.1 -5,-0.1 -0.360 53.0-126.9 -62.7 132.3 43.3 41.2 148.2 12 20 A V - 0 0 87 -2,-0.1 -1,-0.1 1,-0.1 8,-0.1 -0.698 26.6-113.5 -84.5 125.7 41.6 44.0 146.3 13 21 A P - 0 0 21 0, 0.0 5,-0.2 0, 0.0 -1,-0.1 -0.351 36.6-114.1 -61.3 134.8 39.1 42.9 143.7 14 22 A P + 0 0 115 0, 0.0 2,-0.0 0, 0.0 0, 0.0 -0.133 69.0 65.6 -66.9 159.6 40.1 43.7 140.0 15 23 A G S > S- 0 0 45 3,-0.1 3,-1.9 2,-0.0 86,-0.0 0.146 91.9 -59.0 101.3 141.0 38.5 46.1 137.6 16 24 A Y T 3 S- 0 0 115 1,-0.3 86,-1.3 26,-0.0 85,-0.1 -0.234 119.9 -8.8 -55.0 134.6 38.2 49.8 137.6 17 25 A N T 3 S- 0 0 3 1,-0.2 -1,-0.3 84,-0.1 84,-0.2 0.780 90.2-176.5 45.4 32.4 36.4 51.2 140.7 18 26 A A < - 0 0 7 -3,-1.9 23,-0.4 -5,-0.2 -1,-0.2 -0.364 30.0-110.2 -60.4 130.7 35.5 47.6 141.5 19 27 A P + 0 0 0 0, 0.0 2,-0.3 0, 0.0 21,-0.2 -0.360 46.5 173.7 -62.4 140.7 33.2 47.5 144.6 20 28 A Q E +B 39 0B 9 19,-2.4 19,-2.8 1,-0.1 3,-0.1 -0.856 49.0 44.3-140.8 175.7 35.0 46.1 147.7 21 29 A Q E S- 0 0 3 -2,-0.3 2,-0.2 17,-0.2 155,-0.2 0.886 75.6-175.7 53.5 39.4 34.3 45.6 151.4 22 30 A V E + 0 0 1 -3,-0.1 2,-0.3 16,-0.1 16,-0.2 -0.495 11.1 156.1 -72.2 132.2 30.9 44.3 150.5 23 31 A H E -B 37 0B 9 14,-2.6 14,-2.8 -2,-0.2 2,-0.3 -0.990 20.8-160.3-153.9 156.6 28.6 43.6 153.5 24 32 A I E +B 36 0B 0 158,-1.5 163,-1.3 161,-0.4 2,-0.3 -0.913 8.3 175.3-137.9 164.0 24.9 43.3 154.3 25 33 A T E -B 35 0B 4 10,-1.3 10,-3.3 -2,-0.3 163,-0.1 -0.967 47.8 -70.4-162.3 159.0 22.5 43.3 157.3 26 34 A Q E -B 34 0B 1 -2,-0.3 8,-0.3 8,-0.2 161,-0.0 -0.278 39.4-163.7 -55.2 137.6 18.8 43.3 157.9 27 35 A G + 0 0 4 6,-1.6 7,-0.3 57,-0.2 2,-0.3 0.263 63.0 28.6-112.2 11.4 17.2 46.6 156.9 28 36 A D S S- 0 0 23 5,-0.5 205,-0.2 205,-0.1 7,-0.1 -0.877 87.6 -92.4-153.1-176.1 13.9 46.5 158.7 29 37 A L S S+ 0 0 48 -2,-0.3 204,-3.1 1,-0.1 -1,-0.1 0.903 115.0 31.2 -74.7 -44.0 12.2 45.0 161.7 30 38 A V S S- 0 0 38 202,-0.2 205,-0.4 204,-0.1 84,-0.2 0.580 113.2 -96.8 -94.7 -15.9 10.7 41.7 160.4 31 39 A G S S+ 0 0 2 203,-0.1 -2,-0.0 82,-0.1 203,-0.0 0.572 88.6 114.1 111.9 10.7 13.2 40.7 157.7 32 40 A R S S+ 0 0 84 78,-0.1 55,-3.0 57,-0.1 2,-0.3 0.329 74.5 57.0 -94.0 7.7 11.8 41.9 154.4 33 41 A A - 0 0 1 53,-0.2 -6,-1.6 52,-0.2 -5,-0.5 -0.909 59.8-165.8-136.1 163.4 14.6 44.4 153.9 34 42 A M E -BC 26 84B 2 50,-1.9 50,-2.8 -8,-0.3 2,-0.6 -0.983 17.4-137.4-152.4 136.1 18.4 44.5 153.6 35 43 A I E -BC 25 83B 13 -10,-3.3 -10,-1.3 -2,-0.3 2,-0.5 -0.839 20.8-157.9 -95.0 125.6 21.0 47.1 153.8 36 44 A I E -BC 24 82B 0 46,-3.9 46,-2.4 -2,-0.6 2,-0.4 -0.911 13.8-177.4-106.5 129.4 23.7 46.6 151.2 37 45 A S E +BC 23 81B 2 -14,-2.8 -14,-2.6 -2,-0.5 2,-0.3 -0.959 12.2 144.6-129.2 146.2 27.0 48.3 151.8 38 46 A W E - C 0 80B 1 42,-1.5 42,-3.2 -2,-0.4 2,-0.4 -0.970 32.0-126.5-167.9 165.0 30.3 48.5 149.9 39 47 A V E -BC 20 79B 4 -19,-2.8 -19,-2.4 -2,-0.3 2,-0.4 -0.952 8.2-158.2-127.0 144.1 33.1 50.9 149.1 40 48 A T E - C 0 78B 2 38,-2.1 38,-3.1 -2,-0.4 -22,-0.1 -0.962 3.8-172.4-119.1 138.6 34.7 52.2 145.9 41 49 A M S S+ 0 0 87 -2,-0.4 -1,-0.1 -23,-0.4 -23,-0.0 0.693 77.8 52.3-102.3 -26.3 38.3 53.5 145.8 42 50 A D S S- 0 0 92 1,-0.3 3,-0.1 -24,-0.1 -26,-0.0 0.869 121.6 -21.9 -82.1 -37.4 38.7 55.0 142.4 43 51 A E S S- 0 0 72 1,-0.1 -1,-0.3 35,-0.1 35,-0.1 -0.987 71.5 -85.3-165.0 165.1 35.7 57.2 142.3 44 52 A P + 0 0 56 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 0.879 61.7 175.5 -42.0 -52.2 32.2 57.9 143.8 45 53 A G - 0 0 26 -3,-0.1 2,-0.2 2,-0.0 -5,-0.1 -0.007 39.4 -48.4 66.1-179.8 30.5 55.5 141.4 46 54 A S - 0 0 43 1,-0.1 52,-0.3 2,-0.1 53,-0.1 -0.603 30.7-153.4 -90.9 149.6 26.8 54.7 141.7 47 55 A S + 0 0 16 -2,-0.2 2,-0.2 17,-0.2 18,-0.1 0.255 58.6 123.6 -99.3 10.6 24.9 53.7 144.8 48 56 A A - 0 0 4 15,-0.2 50,-0.5 16,-0.1 51,-0.5 -0.491 46.8-158.0 -75.4 141.1 22.3 51.8 142.8 49 57 A V E -EF 62 97C 0 13,-2.6 13,-2.0 -2,-0.2 2,-0.5 -0.983 2.8-153.4-123.2 122.3 21.8 48.1 143.6 50 58 A R E +EF 61 96C 87 46,-1.9 46,-2.9 -2,-0.5 2,-0.3 -0.823 27.0 164.9 -95.8 128.3 20.3 45.8 141.0 51 59 A Y E +EF 60 95C 28 9,-2.6 9,-3.1 -2,-0.5 2,-0.3 -0.925 15.3 163.1-141.4 165.9 18.5 42.8 142.4 52 60 A W E - F 0 94C 19 42,-1.8 42,-3.1 -2,-0.3 5,-0.2 -0.932 36.5-101.7-174.2 153.4 16.0 39.9 141.6 53 61 A S E - F 0 93C 4 3,-1.1 40,-0.3 5,-0.3 38,-0.0 -0.418 29.2-118.8 -82.7 163.0 14.9 36.6 143.1 54 62 A E S S+ 0 0 116 38,-2.4 3,-0.3 -2,-0.1 39,-0.1 0.820 114.4 31.5 -68.4 -30.5 16.1 33.2 141.8 55 63 A K S S+ 0 0 140 37,-0.4 2,-2.5 1,-0.2 -1,-0.1 0.925 122.2 41.6 -88.8 -75.2 12.4 32.4 140.9 56 64 A N S S- 0 0 68 1,-0.2 2,-1.3 2,-0.1 -3,-1.1 -0.488 77.9-171.3 -75.4 75.1 10.7 35.7 140.0 57 65 A G + 0 0 40 -2,-2.5 2,-0.7 -3,-0.3 -1,-0.2 0.180 30.9 140.9 -59.1 21.3 13.7 36.9 138.0 58 66 A R - 0 0 142 -2,-1.3 -5,-0.3 1,-0.1 2,-0.3 -0.568 49.5-135.3 -72.1 114.2 12.3 40.4 137.5 59 67 A K + 0 0 116 -2,-0.7 2,-0.3 -7,-0.1 -7,-0.2 -0.510 28.9 177.4 -73.7 129.9 15.3 42.7 137.9 60 68 A R E -E 51 0C 94 -9,-3.1 -9,-2.6 -2,-0.3 2,-0.4 -0.829 18.1-137.7-127.4 167.2 14.8 45.8 140.0 61 69 A I E -E 50 0C 87 -2,-0.3 2,-0.4 -11,-0.2 -11,-0.2 -0.980 9.0-165.3-131.3 141.9 17.0 48.7 141.1 62 70 A A E -E 49 0C 16 -13,-2.0 -13,-2.6 -2,-0.4 2,-0.3 -0.989 16.1-138.0-126.8 133.6 17.2 50.4 144.5 63 71 A K + 0 0 162 -2,-0.4 20,-0.5 -15,-0.2 -15,-0.2 -0.660 26.2 179.0 -90.3 146.9 19.0 53.8 145.0 64 72 A G - 0 0 27 -2,-0.3 2,-0.4 18,-0.2 18,-0.3 -0.533 25.8 -92.2-130.1-163.2 21.2 54.4 148.0 65 73 A K E -D 81 0B 167 16,-3.2 16,-2.3 -2,-0.2 2,-0.4 -0.934 24.0-149.5-122.9 144.5 23.4 57.0 149.6 66 74 A M E +D 80 0B 79 -2,-0.4 2,-0.3 14,-0.2 14,-0.2 -0.873 23.4 162.6-112.0 144.4 27.2 57.7 149.3 67 75 A S E -D 79 0B 34 12,-2.4 12,-3.0 -2,-0.4 2,-0.3 -0.956 17.2-164.2-152.8 168.4 29.4 59.2 152.0 68 76 A T - 0 0 66 -2,-0.3 2,-0.3 10,-0.2 10,-0.1 -0.932 6.0-170.8-147.9 167.7 33.0 59.6 153.1 69 77 A Y - 0 0 9 -2,-0.3 7,-2.6 8,-0.3 2,-0.3 -0.971 13.0-139.2-157.1 167.1 34.9 60.6 156.2 70 78 A R B +H 75 0D 164 -2,-0.3 5,-0.2 5,-0.2 3,-0.1 -0.934 13.9 178.3-130.3 150.4 38.4 61.5 157.5 71 79 A F - 0 0 5 3,-1.9 -1,-0.1 -2,-0.3 4,-0.1 0.540 67.6 -32.2-117.0 -86.4 40.1 60.4 160.7 72 80 A F S S- 0 0 89 93,-0.2 94,-0.1 132,-0.0 93,-0.0 0.545 123.5 -29.0-102.1-101.8 43.7 61.7 161.1 73 81 A N S S+ 0 0 130 92,-0.1 2,-0.4 -3,-0.1 92,-0.0 0.227 117.9 109.3 -96.3 12.7 45.7 62.1 157.9 74 82 A Y - 0 0 25 91,-0.1 -3,-1.9 0, 0.0 2,-0.4 -0.721 50.8-167.9 -93.4 137.8 43.5 59.3 156.6 75 83 A S B -H 70 0D 59 -2,-0.4 -5,-0.2 -5,-0.2 -2,-0.0 -0.994 18.5-133.0-125.4 126.0 40.8 59.9 154.0 76 84 A S - 0 0 18 -7,-2.6 2,-0.1 -2,-0.4 93,-0.0 -0.087 14.0-118.9 -71.7 172.7 38.2 57.2 153.3 77 85 A G - 0 0 6 1,-0.1 2,-0.8 -9,-0.0 -8,-0.3 -0.129 57.4 -59.3 -92.3-161.9 37.1 55.9 149.9 78 86 A F E -C 40 0B 51 -38,-3.1 -38,-2.1 -35,-0.1 2,-0.5 -0.761 52.8-156.1 -93.4 111.9 33.4 56.2 148.8 79 87 A I E -CD 39 67B 3 -12,-3.0 -12,-2.4 -2,-0.8 2,-0.4 -0.756 8.5-163.2 -90.1 123.4 31.1 54.4 151.2 80 88 A H E -CD 38 66B 0 -42,-3.2 -42,-1.5 -2,-0.5 2,-0.4 -0.875 10.9-179.4-111.3 138.8 27.7 53.2 149.8 81 89 A H E +CD 37 65B 14 -16,-2.3 -16,-3.2 -2,-0.4 2,-0.4 -0.990 9.3 168.6-136.8 123.3 24.6 52.2 151.8 82 90 A T E -C 36 0B 1 -46,-2.4 -46,-3.9 -2,-0.4 2,-0.5 -0.999 21.9-144.4-140.2 136.3 21.5 51.1 150.0 83 91 A T E -C 35 0B 46 -20,-0.5 2,-0.6 -2,-0.4 -48,-0.2 -0.851 3.9-158.2-105.1 131.6 18.3 49.5 151.4 84 92 A I E -C 34 0B 0 -50,-2.8 -50,-1.9 -2,-0.5 3,-0.2 -0.939 24.3-171.8-105.1 122.2 16.3 46.9 149.4 85 93 A R + 0 0 147 -2,-0.6 -52,-0.2 -52,-0.2 -57,-0.0 -0.557 49.5 32.2-112.1 175.4 12.7 46.7 150.7 86 94 A K S S+ 0 0 175 -2,-0.2 -1,-0.2 1,-0.2 -53,-0.2 0.834 73.0 166.9 48.5 45.3 9.6 44.7 150.3 87 95 A L - 0 0 2 -55,-3.0 2,-0.3 -3,-0.2 -1,-0.2 -0.502 38.2-107.9 -85.3 156.7 11.4 41.4 149.7 88 96 A K > - 0 0 103 -2,-0.2 3,-0.8 1,-0.1 22,-0.2 -0.614 38.0-104.9 -85.6 145.3 9.7 38.0 149.9 89 97 A Y T 3 S+ 0 0 52 -2,-0.3 -1,-0.1 1,-0.2 3,-0.1 -0.310 93.4 4.5 -68.2 151.3 10.3 35.8 152.8 90 98 A N T 3 S+ 0 0 112 21,-2.5 2,-0.4 1,-0.1 -1,-0.2 0.756 97.5 125.9 46.2 36.9 12.5 32.7 152.5 91 99 A T < - 0 0 7 -3,-0.8 19,-2.0 20,-0.2 2,-0.3 -0.967 60.6-118.7-126.2 143.7 13.5 33.4 148.9 92 100 A K E - G 0 109C 63 -2,-0.4 -38,-2.4 17,-0.2 -37,-0.4 -0.574 32.2-169.3 -79.6 137.2 17.0 33.6 147.3 93 101 A Y E -FG 53 108C 12 15,-2.8 15,-1.7 -2,-0.3 2,-0.4 -0.897 14.4-146.5-125.9 155.9 17.9 36.9 145.8 94 102 A Y E -FG 52 107C 59 -42,-3.1 -42,-1.8 -2,-0.3 2,-0.4 -0.954 18.8-175.2-120.2 138.3 20.8 38.1 143.6 95 103 A Y E -FG 51 106C 0 11,-1.7 11,-2.4 -2,-0.4 2,-0.4 -0.998 8.3-157.6-139.1 142.2 22.1 41.6 143.8 96 104 A E E -FG 50 105C 18 -46,-2.9 -46,-1.9 -2,-0.4 2,-0.3 -0.942 5.8-167.5-122.5 143.7 24.8 43.5 141.9 97 105 A V E +FG 49 104C 0 7,-2.2 7,-2.2 -2,-0.4 -48,-0.1 -0.930 62.4 44.0-128.6 150.4 26.9 46.5 142.8 98 106 A G + 0 0 7 -50,-0.5 3,-0.4 -52,-0.3 -1,-0.2 0.859 56.5 164.9 85.2 40.4 29.1 48.9 140.8 99 107 A L + 0 0 41 -51,-0.5 4,-0.1 1,-0.2 -50,-0.1 0.810 67.6 63.3 -58.4 -34.9 26.7 49.3 137.9 100 108 A R S S- 0 0 61 2,-0.1 -1,-0.2 -52,-0.1 3,-0.1 0.926 127.7 -22.2 -58.5 -47.2 28.6 52.4 136.6 101 109 A N S S+ 0 0 69 -3,-0.4 2,-0.6 1,-0.2 -84,-0.1 0.196 124.8 23.1-129.1-112.6 31.8 50.4 135.9 102 110 A T S S- 0 0 38 -86,-1.3 2,-0.3 1,-0.0 -1,-0.2 -0.545 72.1-157.0 -69.9 112.0 33.1 47.1 137.2 103 111 A T - 0 0 56 -2,-0.6 2,-0.4 -4,-0.1 -5,-0.2 -0.684 9.8-167.2 -94.6 143.5 30.1 45.1 138.5 104 112 A R E -G 97 0C 55 -7,-2.2 -7,-2.2 -2,-0.3 2,-0.4 -0.979 9.2-148.0-128.4 141.4 30.2 42.4 141.1 105 113 A R E +G 96 0C 141 -2,-0.4 2,-0.2 -9,-0.2 -9,-0.2 -0.909 23.5 155.6-117.2 139.3 27.4 39.9 142.0 106 114 A F E -G 95 0C 7 -11,-2.4 -11,-1.7 -2,-0.4 2,-0.3 -0.680 19.8-148.2-137.8-169.6 26.5 38.3 145.3 107 115 A S E -G 94 0C 22 -13,-0.2 2,-0.3 -2,-0.2 -13,-0.2 -0.984 9.3-171.7-162.2 166.5 23.3 36.8 146.8 108 116 A F E -G 93 0C 4 -15,-1.7 -15,-2.8 -2,-0.3 2,-0.6 -0.972 23.5-125.1-160.0 157.6 21.5 36.2 150.0 109 117 A I E -G 92 0C 103 75,-0.4 -17,-0.2 -2,-0.3 -19,-0.1 -0.943 27.9-130.5-113.0 114.8 18.4 34.2 151.2 110 118 A T - 0 0 2 -19,-2.0 -78,-0.1 -2,-0.6 3,-0.1 -0.230 32.3-106.5 -59.1 152.1 15.8 36.3 153.1 111 119 A P - 0 0 2 0, 0.0 -21,-2.5 0, 0.0 -20,-0.2 -0.239 38.7 -93.3 -74.4 169.4 14.7 34.7 156.4 112 120 A P - 0 0 30 0, 0.0 123,-0.8 0, 0.0 3,-0.1 -0.445 55.9 -80.0 -79.5 160.9 11.3 33.0 156.8 113 121 A Q - 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0 0 7 -4,-0.6 12,-2.2 -3,-0.5 13,-0.5 0.951 65.7-179.7 -53.3 -53.6 17.8 65.6 179.4 622 205 B E < + 0 0 5 -4,-0.6 2,-0.9 1,-0.2 12,-0.2 0.906 4.5 174.5 49.3 52.4 14.5 66.5 177.7 623 206 B F + 0 0 36 -372,-0.2 -1,-0.2 7,-0.1 7,-0.2 -0.803 6.2 162.2 -89.1 107.9 14.4 63.3 175.6 624 207 B A B > > +J 629 0O 0 5,-2.6 3,-1.9 -2,-0.9 5,-1.7 -0.576 12.9 167.7-131.4 73.5 11.0 63.5 173.8 625 208 B P G > 5S+ 0 0 52 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 0.800 72.7 73.2 -53.5 -32.2 10.9 61.2 170.7 626 209 B E G 3 5S+ 0 0 145 1,-0.3 4,-0.1 3,-0.1 -2,-0.0 0.776 107.9 32.0 -56.4 -28.5 7.1 61.7 170.6 627 210 B I G < 5S- 0 0 25 -3,-1.9 -1,-0.3 2,-0.1 3,-0.1 -0.039 120.8-100.7-120.2 31.7 7.6 65.2 169.3 628 211 B N T < 5S+ 0 0 132 -3,-1.9 2,-0.5 1,-0.2 -2,-0.1 0.848 80.1 133.2 53.1 42.7 10.8 64.6 167.3 629 212 B E B < +J 624 0O 18 -5,-1.7 -5,-2.6 1,-0.1 -1,-0.2 -0.817 14.5 149.4-120.2 87.2 13.1 66.1 170.0 630 213 B T + 0 0 56 -2,-0.5 -1,-0.1 -7,-0.2 -7,-0.1 0.363 33.5 103.8-104.0 4.6 15.8 63.5 170.3 631 214 B E S > S- 0 0 93 -9,-0.1 3,-1.8 -3,-0.1 -1,-0.0 -0.768 70.1-130.8 -94.0 104.8 18.9 65.6 171.2 632 215 B P T 3 S+ 0 0 46 0, 0.0 -10,-0.2 0, 0.0 -11,-0.2 -0.172 86.4 5.2 -52.8 139.7 19.7 65.2 174.9 633 216 B F T 3> S+ 0 0 5 -12,-2.2 4,-3.6 -13,-0.4 5,-0.3 0.579 84.6 145.0 62.5 14.3 20.2 68.5 176.9 634 217 B K H <> S+ 0 0 31 -3,-1.8 4,-1.5 -13,-0.5 5,-0.2 0.916 70.5 36.5 -48.8 -61.1 19.2 70.6 173.9 635 218 B P H > S+ 0 0 0 0, 0.0 4,-1.7 0, 0.0 3,-0.2 0.935 121.9 46.4 -60.3 -47.7 17.4 73.5 175.6 636 219 B F H > S+ 0 0 9 -16,-0.4 4,-2.4 1,-0.2 -2,-0.2 0.904 110.2 52.4 -61.0 -44.5 19.7 73.5 178.6 637 220 B S H < S+ 0 0 29 -4,-3.6 -1,-0.2 1,-0.2 -3,-0.2 0.786 110.2 49.5 -66.3 -26.3 22.9 73.3 176.4 638 221 B Y H < S+ 0 0 73 -4,-1.5 -1,-0.2 -5,-0.3 -2,-0.2 0.856 117.1 39.1 -78.1 -37.2 21.8 76.3 174.4 639 222 B R H < S+ 0 0 5 -4,-1.7 2,-0.5 1,-0.2 -2,-0.2 0.807 117.1 43.7 -84.5 -33.5 21.0 78.5 177.4 640 223 B Y < - 0 0 7 -4,-2.4 2,-0.2 -5,-0.2 -1,-0.2 -0.963 68.0-171.1-122.3 116.9 23.8 77.7 179.8 641 224 B H - 0 0 74 -2,-0.5 -27,-0.2 -3,-0.1 -181,-0.1 -0.690 3.1-161.5-104.0 158.3 27.4 77.4 178.7 642 225 B V - 0 0 9 -2,-0.2 2,-2.4 -29,-0.1 3,-0.3 -0.990 31.7-115.3-139.3 146.4 30.4 76.2 180.6 643 226 B P > + 0 0 8 0, 0.0 3,-1.5 0, 0.0 4,-0.4 -0.191 58.2 148.7 -74.3 49.7 34.2 76.6 180.0 644 227 B Y G > > + 0 0 62 -2,-2.4 5,-1.9 1,-0.3 3,-1.2 0.788 61.8 60.3 -58.3 -31.6 34.6 72.9 179.4 645 228 B E G > 5S+ 0 0 115 -3,-0.3 3,-1.9 1,-0.3 -1,-0.3 0.755 88.6 74.1 -69.7 -21.7 37.5 73.2 177.0 646 229 B A G < 5S+ 0 0 29 -3,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.762 102.6 40.2 -62.6 -24.7 39.5 74.8 179.7 647 230 B S G < 5S- 0 0 1 -3,-1.2 -1,-0.3 -4,-0.4 -2,-0.2 0.121 122.4-105.3-109.1 19.0 39.9 71.4 181.4 648 231 B Q T < 5S+ 0 0 120 -3,-1.9 -3,-0.2 1,-0.2 2,-0.2 0.706 70.9 149.0 65.8 22.2 40.4 69.6 178.0 649 232 B S < - 0 0 6 -5,-1.9 -1,-0.2 1,-0.1 -2,-0.1 -0.530 43.2-151.2 -82.1 155.0 36.9 68.1 178.2 650 233 B T S S+ 0 0 50 -2,-0.2 -1,-0.1 1,-0.1 -5,-0.1 0.387 78.3 51.6-105.6 1.9 35.1 67.5 174.9 651 234 B S S > S- 0 0 13 3,-0.4 3,-0.9 -7,-0.1 -1,-0.1 -0.988 70.9-137.6-139.3 146.2 31.6 67.9 176.3 652 235 B P T 3 S+ 0 0 41 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 0.624 96.9 75.3 -76.5 -8.9 29.9 70.7 178.4 653 236 B F T 3 S+ 0 0 35 1,-0.2 -37,-0.4 -38,-0.1 2,-0.3 0.628 104.5 29.3 -79.7 -13.0 28.3 68.0 180.6 654 237 B W S < S+ 0 0 19 -3,-0.9 -3,-0.4 13,-0.1 2,-0.3 -0.980 78.9 127.5-145.6 133.1 31.5 67.2 182.5 655 238 B Y E -K 666 0P 2 11,-1.5 11,-3.3 -2,-0.3 2,-0.3 -0.974 39.4-122.1-170.4 175.2 34.3 69.6 183.1 656 239 B S E +K 665 0P 0 -2,-0.3 2,-0.3 -12,-0.2 9,-0.2 -0.960 19.2 177.7-137.3 150.2 36.5 71.1 185.8 657 240 B I E -K 664 0P 3 7,-2.0 7,-2.8 -2,-0.3 2,-0.4 -0.976 20.5-137.1-146.1 157.9 37.4 74.6 187.1 658 241 B K E +K 663 0P 23 -204,-3.3 2,-0.4 -2,-0.3 5,-0.2 -0.968 23.2 173.7-118.4 131.3 39.6 76.1 189.9 659 242 B R E > -K 662 0P 0 3,-2.0 3,-2.5 -2,-0.4 2,-0.2 -0.962 59.9 -45.7-141.7 121.9 38.3 78.9 192.0 660 243 B A T 3 S- 0 0 0 -123,-0.7 -120,-0.8 -205,-0.4 -115,-0.1 -0.402 124.5 -19.8 60.2-118.1 40.1 80.3 195.0 661 244 B S T 3 S+ 0 0 0 -118,-0.5 36,-2.1 -2,-0.2 2,-0.4 0.200 118.2 95.6-106.0 14.0 41.3 77.3 197.0 662 245 B A E < -Kl 659 697P 0 -3,-2.5 -3,-2.0 34,-0.2 2,-0.6 -0.827 55.5-157.1-110.6 145.2 38.9 74.7 195.5 663 246 B H E -Kl 658 698P 2 34,-3.3 36,-2.8 -2,-0.4 2,-0.5 -0.981 23.8-163.2-115.0 113.9 39.3 72.3 192.6 664 247 B I E -Kl 657 699P 0 -7,-2.8 -7,-2.0 -2,-0.6 2,-0.5 -0.879 11.0-167.1-109.2 130.7 35.8 71.5 191.3 665 248 B I E -Kl 656 700P 0 34,-2.7 36,-3.3 -2,-0.5 2,-0.5 -0.957 6.6-160.0-116.0 121.9 34.9 68.5 189.1 666 249 B V E -Kl 655 701P 1 -11,-3.3 -11,-1.5 -2,-0.5 2,-0.3 -0.882 11.9-170.1-105.4 128.7 31.5 68.4 187.4 667 250 B L - 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0 0 26 -3,-2.4 -1,-0.3 -5,-0.3 -4,-0.1 0.712 58.0-132.3 55.0 23.4 74.9 186.9 133.3 1017 175 C D X - 0 0 57 -3,-2.1 3,-2.1 1,-0.2 -1,-0.2 0.421 16.8-156.4 -7.4 90.8 77.7 185.9 130.8 1018 176 C N T >> S+ 0 0 1 -3,-0.4 3,-2.2 1,-0.3 4,-1.2 0.595 82.0 84.7 -63.4 -7.8 78.0 182.3 132.0 1019 177 C V H >> S+ 0 0 52 1,-0.3 4,-2.1 2,-0.2 3,-0.7 0.919 83.2 63.6 -57.2 -36.6 81.5 182.2 130.7 1020 178 C R H <> S+ 0 0 17 -3,-2.1 4,-1.1 1,-0.3 -1,-0.3 0.566 96.4 56.0 -64.2 -9.2 82.3 183.8 134.1 1021 179 C W H <> S+ 0 0 0 -3,-2.2 4,-1.4 2,-0.2 -1,-0.3 0.800 106.3 50.6 -86.8 -36.3 81.1 180.6 135.8 1022 180 C D H X S+ 0 0 2 -4,-2.1 3,-2.2 -5,-0.2 4,-2.1 0.634 92.4 89.5 -84.6 -13.5 89.0 177.7 142.3 1029 187 C E H 3X S+ 0 0 21 -4,-0.9 4,-2.4 1,-0.3 5,-0.4 0.878 70.7 72.5 -49.1 -46.1 89.9 174.2 141.1 1030 188 C R H 3< S+ 0 0 79 -4,-0.5 -1,-0.3 -3,-0.4 -2,-0.1 0.668 116.4 22.4 -48.7 -15.7 93.4 174.4 142.6 1031 189 C S H X> S+ 0 0 5 -3,-2.2 4,-1.7 3,-0.1 3,-1.4 0.745 121.2 51.1-116.2 -52.9 91.7 174.1 146.0 1032 190 C V H 3< S+ 0 0 0 -4,-2.1 -158,-1.9 1,-0.3 -3,-0.2 0.656 102.8 63.7 -64.2 -16.7 88.3 172.4 145.5 1033 191 C A T 3< S+ 0 0 0 -4,-2.4 -76,-0.3 -5,-0.3 -1,-0.3 0.733 112.8 33.7 -79.5 -21.0 89.8 169.6 143.5 1034 192 C Y T <4 S+ 0 0 105 -3,-1.4 -75,-0.4 -5,-0.4 -2,-0.2 0.646 127.2 29.0-107.1 -21.1 91.8 168.4 146.6 1035 193 C Q S < S- 0 0 27 -4,-1.7 -161,-0.4 -77,-0.1 -1,-0.3 -1.000 86.3-104.9-141.9 140.6 89.4 169.3 149.4 1036 194 C P - 0 0 4 0, 0.0 -35,-2.6 0, 0.0 2,-0.5 -0.293 23.2-155.0 -65.5 145.3 85.6 169.4 149.6 1037 195 C W E -c 1001 0W 0 -163,-1.5 2,-0.7 -37,-0.2 -35,-0.2 -0.989 13.5-139.3-118.9 126.7 83.8 172.7 149.7 1038 196 C I E -c 1002 0W 1 -37,-3.1 -35,-2.2 -2,-0.5 2,-0.3 -0.818 26.4-136.0 -90.4 119.2 80.3 172.6 151.3 1039 197 C W - 0 0 4 -2,-0.7 2,-0.4 27,-0.2 -35,-0.1 -0.549 24.0-178.3 -86.1 141.2 78.0 174.7 149.2 1040 198 C T - 0 0 1 -2,-0.3 2,-0.5 -37,-0.2 -34,-0.3 -0.980 30.7-118.0-130.2 139.6 75.5 177.3 150.3 1041 199 C A - 0 0 2 -2,-0.4 53,-0.5 37,-0.4 54,-0.3 -0.705 31.9-171.6 -88.0 123.1 73.3 179.2 147.9 1042 200 C G >> - 0 0 0 -2,-0.5 3,-1.2 86,-0.1 4,-0.5 -0.430 40.5 -97.6-102.2 179.4 73.6 183.0 147.9 1043 201 C N H >> S+ 0 0 39 1,-0.3 3,-0.7 2,-0.2 4,-0.7 0.772 120.8 63.3 -69.5 -26.1 71.6 185.7 146.1 1044 202 C H H 34 S+ 0 0 27 1,-0.2 -33,-0.3 2,-0.2 -1,-0.3 0.634 99.8 55.6 -73.6 -10.1 74.1 185.8 143.3 1045 203 C E H <4 S+ 0 0 0 -3,-1.2 16,-0.4 1,-0.1 13,-0.4 0.641 88.5 76.9 -91.7 -18.5 73.2 182.2 142.5 1046 204 C I H << + 0 0 6 -3,-0.7 12,-2.5 -4,-0.5 13,-0.6 0.951 64.8 178.4 -55.4 -53.7 69.4 183.0 142.1 1047 205 C E < + 0 0 6 -4,-0.7 2,-0.8 1,-0.2 12,-0.2 0.895 4.7 173.4 46.1 53.9 69.9 184.5 138.7 1048 206 C F + 0 0 33 478,-0.2 -1,-0.2 7,-0.1 7,-0.2 -0.824 3.5 165.8 -90.1 111.3 66.2 185.2 138.2 1049 207 C A B > > +F 1054 0X 1 5,-3.1 5,-2.7 -2,-0.8 3,-1.2 -0.724 14.9 168.6-133.8 84.4 66.1 187.2 134.9 1050 208 C P G > 5S+ 0 0 46 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 0.821 74.6 70.3 -64.4 -30.6 62.6 187.5 133.4 1051 209 C E G 3 5S+ 0 0 135 1,-0.3 4,-0.0 3,-0.1 -2,-0.0 0.714 110.0 33.3 -61.0 -20.9 63.8 190.1 130.9 1052 210 C I G < 5S- 0 0 23 -3,-1.2 -1,-0.3 2,-0.1 3,-0.1 0.047 119.8-105.3-122.2 24.1 65.8 187.4 129.1 1053 211 C N T < 5S+ 0 0 128 -3,-1.9 2,-0.6 1,-0.2 -2,-0.1 0.845 78.6 132.0 55.4 40.6 63.4 184.6 129.7 1054 212 C E B < +F 1049 0X 25 -5,-2.7 -5,-3.1 1,-0.1 -1,-0.2 -0.810 15.5 151.5-120.1 86.9 65.5 182.9 132.4 1055 213 C T + 0 0 56 -2,-0.6 -1,-0.1 -7,-0.2 -7,-0.1 0.306 34.2 105.0-100.8 6.4 63.0 182.3 135.2 1056 214 C E > - 0 0 92 -9,-0.2 3,-1.5 -7,-0.1 -1,-0.0 -0.782 69.5-132.3 -94.7 105.0 64.5 179.2 136.8 1057 215 C P T 3 S+ 0 0 44 0, 0.0 -10,-0.2 0, 0.0 -11,-0.2 -0.209 84.3 4.7 -56.4 136.4 66.1 180.2 140.2 1058 216 C F T 3> S+ 0 0 6 -12,-2.5 4,-2.9 -13,-0.4 5,-0.2 0.682 86.7 146.3 64.2 19.9 69.6 178.9 140.8 1059 217 C K H <> + 0 0 32 -3,-1.5 4,-1.4 -13,-0.6 5,-0.2 0.965 68.8 35.1 -54.1 -69.6 69.7 177.3 137.3 1060 218 C P H >> S+ 0 0 0 0, 0.0 4,-1.9 0, 0.0 3,-0.7 0.941 121.4 50.3 -51.1 -49.8 73.4 177.7 136.4 1061 219 C F H 3> S+ 0 0 10 -16,-0.4 4,-2.2 1,-0.2 -2,-0.2 0.875 108.1 50.6 -54.7 -46.4 74.5 177.1 140.0 1062 220 C S H 3< S+ 0 0 31 -4,-2.9 -1,-0.2 1,-0.2 -3,-0.1 0.733 111.1 50.4 -68.3 -23.1 72.4 173.9 140.5 1063 221 C Y H << S+ 0 0 75 -4,-1.4 -1,-0.2 -3,-0.7 -2,-0.2 0.842 116.0 39.4 -82.0 -37.1 73.8 172.4 137.3 1064 222 C R H < S+ 0 0 5 -4,-1.9 2,-0.5 -5,-0.2 -2,-0.2 0.742 118.9 43.7 -85.9 -26.0 77.5 173.1 138.1 1065 223 C Y < - 0 0 8 -4,-2.2 2,-0.2 -5,-0.2 -1,-0.2 -0.964 65.2-173.7-131.0 120.1 77.4 172.2 141.8 1066 224 C H - 0 0 77 -2,-0.5 -27,-0.2 -3,-0.1 -181,-0.1 -0.679 4.1-162.4-106.3 162.0 75.6 169.2 143.4 1067 225 C V - 0 0 8 -2,-0.2 2,-1.5 -29,-0.1 3,-0.3 -0.977 32.4-112.6-142.4 151.8 75.1 168.3 147.1 1068 226 C P > + 0 0 8 0, 0.0 3,-1.7 0, 0.0 4,-0.3 -0.179 58.8 146.5 -79.6 47.3 74.2 165.1 148.9 1069 227 C Y G > > + 0 0 65 -2,-1.5 5,-1.9 1,-0.3 3,-1.5 0.795 63.6 60.6 -56.2 -32.8 70.8 166.5 150.0 1070 228 C E G > 5S+ 0 0 117 -3,-0.3 3,-1.8 1,-0.3 -1,-0.3 0.774 89.8 72.6 -67.1 -23.8 69.0 163.2 149.8 1071 229 C A G < 5S+ 0 0 29 -3,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.694 102.9 41.1 -64.7 -17.5 71.4 161.9 152.4 1072 230 C S G < 5S- 0 0 1 -3,-1.5 -1,-0.3 -4,-0.3 -2,-0.2 0.054 121.4-103.6-117.5 24.2 69.6 164.0 155.0 1073 231 C Q T < 5S+ 0 0 122 -3,-1.8 -3,-0.2 1,-0.2 2,-0.2 0.653 73.2 147.8 63.6 17.9 66.1 163.3 153.7 1074 232 C S < - 0 0 7 -5,-1.9 -1,-0.2 7,-0.1 -2,-0.1 -0.549 44.0-152.8 -82.4 150.7 65.9 166.7 152.1 1075 233 C T S S+ 0 0 49 -2,-0.2 -1,-0.1 -3,-0.1 -5,-0.1 0.208 77.7 51.3-105.2 10.9 63.9 167.1 148.9 1076 234 C S S > S- 0 0 14 3,-0.4 3,-0.7 -7,-0.1 -2,-0.1 -0.995 70.7-137.1-147.3 149.9 66.0 170.1 147.7 1077 235 C P T 3 S+ 0 0 40 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 0.589 96.9 74.9 -81.3 -9.6 69.7 170.8 147.1 1078 236 C F T 3 S+ 0 0 38 1,-0.2 -37,-0.4 -38,-0.1 2,-0.3 0.630 104.6 30.0 -79.0 -15.0 69.3 174.3 148.6 1079 237 C W S < S+ 0 0 20 -3,-0.7 -3,-0.4 13,-0.1 2,-0.3 -0.989 76.6 119.6-145.0 137.2 69.1 173.0 152.2 1080 238 C Y E -G 1091 0Y 2 11,-1.7 11,-3.5 -2,-0.3 2,-0.3 -0.965 41.1-124.1-178.0 171.9 70.6 169.8 153.7 1081 239 C S E -G 1090 0Y 0 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.964 16.3-173.8-136.8 154.1 73.0 168.6 156.4 1082 240 C I E -G 1089 0Y 1 7,-1.9 7,-2.2 -2,-0.3 2,-0.5 -0.989 18.7-135.3-144.3 149.3 76.1 166.4 156.5 1083 241 C K E +G 1088 0Y 38 -204,-3.1 2,-0.3 -2,-0.3 5,-0.2 -0.910 26.2 169.7-108.4 132.7 78.2 165.0 159.3 1084 242 C R E > -G 1087 0Y 0 3,-2.2 3,-1.7 -2,-0.5 2,-0.3 -0.912 60.6 -40.2-146.7 116.2 82.0 165.3 159.1 1085 243 C A T 3 S- 0 0 0 -123,-0.6 -120,-0.2 -205,-0.4 -117,-0.1 -0.528 122.8 -24.9 69.8-124.3 84.3 164.4 162.0 1086 244 C S T 3 S+ 0 0 0 -118,-0.6 36,-2.3 -2,-0.3 2,-0.3 0.277 119.8 96.1-103.0 9.1 82.8 165.8 165.2 1087 245 C A E < -Gh10841122Y 0 -3,-1.7 -3,-2.2 34,-0.2 2,-0.6 -0.791 55.4-160.5-105.8 144.3 80.8 168.4 163.4 1088 246 C H E -Gh10831123Y 4 34,-3.3 36,-2.0 -2,-0.3 2,-0.4 -0.931 20.2-163.0-122.2 101.3 77.2 168.3 162.3 1089 247 C I E -Gh10821124Y 0 -7,-2.2 -7,-1.9 -2,-0.6 2,-0.5 -0.737 8.5-164.8 -94.8 133.4 76.7 171.0 159.6 1090 248 C I E -Gh10811125Y 0 34,-2.8 36,-3.2 -2,-0.4 2,-0.5 -0.969 5.9-159.3-117.9 123.3 73.3 172.3 158.6 1091 249 C V E -Gh10801126Y 0 -11,-3.5 -11,-1.7 -2,-0.5 2,-0.3 -0.893 12.0-172.6-105.6 128.5 73.0 174.3 155.3 1092 250 C L - 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