==== 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 ACID ANHYDRIDE HYDROLASE 01-AUG-94 1IGP . COMPND 2 MOLECULE: INORGANIC PYROPHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR V.YU.OGANESSYAN,S.M.AVAEVA,E.H.HARUTYUNYAN . 175 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8984.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 107 61.1 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 . 41 23.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 1.1 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 . 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 . 14 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 27 15.4 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 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 . 0 1 1 2 2 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 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 0 115 0, 0.0 3,-0.6 0, 0.0 4,-0.5 0.000 360.0 360.0 360.0 -38.4 2.6 60.0 41.5 2 2 A L T 34 + 0 0 34 1,-0.2 35,-0.1 2,-0.2 57,-0.1 0.501 360.0 57.2 -81.4 -12.1 5.2 59.3 38.8 3 3 A L T 34 S+ 0 0 53 33,-0.1 -1,-0.2 1,-0.1 34,-0.1 0.374 99.8 60.5 -99.6 -2.4 7.7 59.6 41.6 4 4 A N T <4 S+ 0 0 131 -3,-0.6 -2,-0.2 2,-0.0 -1,-0.1 0.586 80.9 112.9 -91.5 -30.5 5.7 56.9 43.3 5 5 A V < - 0 0 20 -4,-0.5 13,-0.1 1,-0.1 -3,-0.0 -0.205 67.5-115.8 -51.4 131.8 6.3 54.3 40.6 6 6 A P - 0 0 65 0, 0.0 53,-0.5 0, 0.0 3,-0.1 0.040 11.4-124.3 -64.7 168.8 8.4 51.3 41.2 7 7 A A S S- 0 0 6 1,-0.4 9,-2.8 51,-0.1 2,-0.3 0.805 82.3 -48.5 -81.2 -42.8 11.7 50.3 39.7 8 8 A G E -A 15 0A 19 7,-0.3 -1,-0.4 1,-0.1 7,-0.3 -0.996 41.5-103.5-177.8 176.3 10.2 47.0 38.6 9 9 A K E S+ 0 0 114 5,-0.6 6,-0.2 -2,-0.3 -1,-0.1 0.901 117.4 4.8 -78.2 -44.9 8.3 43.9 39.4 10 10 A D E >> S-A 14 0A 109 4,-1.8 4,-1.9 -3,-0.1 3,-0.8 -0.580 101.4-117.6-149.8 75.7 11.4 41.8 39.6 11 11 A L T 34 S+ 0 0 40 1,-0.3 -3,-0.1 2,-0.2 4,-0.1 -0.267 84.4 6.2 -53.9 134.8 14.5 43.8 39.1 12 12 A P T 34 S+ 0 0 26 0, 0.0 -1,-0.3 0, 0.0 3,-0.2 -0.991 132.0 47.3 -92.7 0.6 16.6 43.7 37.0 13 13 A E T <4 S+ 0 0 100 -3,-0.8 2,-0.4 1,-0.2 -2,-0.2 0.788 122.2 31.1 -66.9 -39.1 14.7 41.1 34.8 14 14 A D E < S+A 10 0A 19 -4,-1.9 -4,-1.8 74,-0.1 -5,-0.6 -0.940 80.0 158.5-132.6 104.0 11.4 42.9 34.9 15 15 A I E -AB 8 87A 0 72,-2.4 72,-3.5 -2,-0.4 2,-0.4 -0.761 35.6-127.1-124.0 167.0 11.4 46.7 35.2 16 16 A Y E - B 0 86A 52 -9,-2.8 2,-0.4 70,-0.3 43,-0.3 -0.962 19.9-156.9-114.3 137.5 9.2 49.7 34.6 17 17 A V E - B 0 85A 0 68,-2.8 68,-2.1 -2,-0.4 2,-0.7 -0.966 10.5-142.3-117.9 131.1 10.4 52.6 32.5 18 18 A V E -CB 57 84A 0 39,-3.5 39,-1.8 -2,-0.4 2,-0.3 -0.863 24.9-134.7 -93.1 114.7 8.9 56.0 32.8 19 19 A I E +C 56 0A 0 64,-2.2 63,-4.5 -2,-0.7 64,-0.3 -0.606 34.1 166.0 -75.0 123.4 8.8 57.5 29.3 20 20 A E E S+ 0 0 8 35,-3.0 10,-0.2 -2,-0.3 36,-0.2 0.651 70.6 27.6-105.4 -41.0 9.9 61.1 28.9 21 21 A I E S-C 55 0A 1 34,-2.1 34,-3.5 59,-0.1 -1,-0.3 -0.962 78.5-132.8-131.7 123.1 10.4 61.4 25.2 22 22 A P > - 0 0 19 0, 0.0 3,-1.2 0, 0.0 29,-0.2 -0.130 33.0 -91.6 -69.7 159.5 8.5 59.4 22.6 23 23 A A T 3 S+ 0 0 11 1,-0.3 31,-0.1 50,-0.1 30,-0.1 -0.514 107.8 5.7 -67.8 146.9 10.0 57.7 19.6 24 24 A N T 3 S+ 0 0 108 27,-2.6 -1,-0.3 1,-0.2 2,-0.1 0.677 94.7 147.2 57.4 26.5 10.1 59.8 16.5 25 25 A A < - 0 0 31 -3,-1.2 26,-0.2 26,-0.2 -1,-0.2 -0.342 59.9 -79.8 -91.1 177.9 8.9 63.0 18.2 26 26 A D - 0 0 123 1,-0.1 2,-1.9 24,-0.1 -1,-0.2 -0.354 61.9 -93.9 -63.4 154.9 9.8 66.6 17.4 27 27 A P S S+ 0 0 40 0, 0.0 18,-2.5 0, 0.0 2,-0.5 -0.226 80.6 130.1 -76.2 52.0 13.1 67.3 19.0 28 28 A I E -H 44 0B 37 -2,-1.9 2,-0.6 16,-0.2 16,-0.2 -0.903 48.0-149.4 -97.1 127.0 11.8 68.8 22.3 29 29 A K E -H 43 0B 41 14,-2.8 13,-2.3 -2,-0.5 14,-1.1 -0.903 19.5-174.9-102.5 116.4 13.7 67.0 25.2 30 30 A Y E -H 41 0B 61 -2,-0.6 2,-0.3 -10,-0.2 11,-0.2 -0.592 6.1-167.1-101.9 170.4 11.5 66.8 28.3 31 31 A E E -H 40 0B 64 9,-2.4 9,-2.9 -2,-0.2 2,-0.5 -0.991 26.7-112.1-154.6 147.6 12.3 65.5 31.8 32 32 A I E -H 39 0B 1 -2,-0.3 2,-0.6 7,-0.2 7,-0.2 -0.764 33.0-129.1 -83.5 129.4 10.3 64.6 34.9 33 33 A D > - 0 0 45 5,-2.7 4,-2.5 -2,-0.5 5,-0.2 -0.657 10.2-147.7 -74.1 117.8 11.0 67.0 37.7 34 34 A K T 4 S+ 0 0 95 -2,-0.6 -1,-0.1 1,-0.2 -2,-0.0 0.794 93.9 52.9 -57.8 -31.4 11.9 65.0 40.8 35 35 A E T 4 S+ 0 0 189 1,-0.1 -1,-0.2 3,-0.1 -32,-0.1 0.979 128.3 12.4 -71.5 -60.0 10.3 67.5 43.0 36 36 A S T 4 S- 0 0 71 2,-0.1 -2,-0.2 -35,-0.0 -33,-0.1 0.813 90.6-130.3 -87.0 -34.2 6.8 67.9 41.5 37 37 A G < + 0 0 12 -4,-2.5 2,-0.2 1,-0.3 -3,-0.1 0.514 62.8 133.8 94.6 4.8 6.8 64.9 39.2 38 38 A A - 0 0 50 -5,-0.2 -5,-2.7 -6,-0.1 2,-0.5 -0.511 64.7-102.8 -87.1 159.6 5.6 67.0 36.3 39 39 A L E -H 32 0B 64 -7,-0.2 2,-0.3 -2,-0.2 -7,-0.2 -0.731 41.2-167.9 -84.5 123.3 7.1 66.9 32.8 40 40 A F E -H 31 0B 106 -9,-2.9 -9,-2.4 -2,-0.5 2,-0.4 -0.831 24.8-118.3-114.0 141.5 9.4 69.9 32.1 41 41 A V E +H 30 0B 72 -2,-0.3 -11,-0.2 -11,-0.2 3,-0.1 -0.728 30.0 179.0 -83.2 133.6 10.9 71.1 28.9 42 42 A D E - 0 0 62 -13,-2.3 2,-0.3 -2,-0.4 -12,-0.2 0.756 59.8 -21.1-102.2 -44.8 14.7 70.9 29.2 43 43 A R E -H 29 0B 98 -14,-1.1 -14,-2.8 2,-0.0 2,-0.5 -0.973 47.2-124.0-170.0 150.5 15.8 72.1 25.8 44 44 A F E -H 28 0B 152 -2,-0.3 2,-0.2 -16,-0.2 -16,-0.2 -0.910 44.1-130.2 -95.2 125.5 14.7 72.6 22.3 45 45 A M - 0 0 29 -18,-2.5 97,-0.1 -2,-0.5 96,-0.0 -0.626 10.1-152.1 -77.7 146.9 17.4 70.6 20.3 46 46 A S + 0 0 83 95,-0.2 2,-0.2 -2,-0.2 -1,-0.1 0.647 68.6 86.2 -92.2 -21.8 19.0 72.5 17.5 47 47 A T S S- 0 0 17 94,-0.5 2,-1.2 1,-0.1 -2,-0.1 -0.521 84.3-120.4 -82.1 151.9 19.9 69.5 15.3 48 48 A A S S+ 0 0 110 -2,-0.2 2,-0.3 2,-0.0 -1,-0.1 -0.478 75.4 116.9 -88.3 56.7 17.4 68.0 12.8 49 49 A M - 0 0 39 -2,-1.2 2,-0.4 92,-0.1 -4,-0.1 -0.861 48.8-154.3-127.2 155.4 17.5 64.6 14.6 50 50 A F - 0 0 100 -2,-0.3 -24,-0.1 -23,-0.1 -27,-0.1 -0.975 32.4 -97.3-137.5 146.3 14.8 62.6 16.4 51 51 A Y - 0 0 4 -2,-0.4 -27,-2.6 -29,-0.2 -26,-0.2 -0.435 27.9-147.5 -59.0 128.9 15.1 60.0 19.1 52 52 A P S S+ 0 0 18 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.768 78.8 23.2 -73.8 -26.4 15.0 56.6 17.4 53 53 A C S S- 0 0 2 -30,-0.1 -29,-0.1 21,-0.1 2,-0.1 -0.854 99.8 -79.8-134.3 167.3 13.2 55.0 20.4 54 54 A N E - D 0 73A 0 19,-1.4 19,-2.7 -2,-0.3 2,-0.4 -0.446 52.3-147.4 -68.9 140.9 11.0 56.1 23.3 55 55 A Y E +CD 21 72A 8 -34,-3.5 -35,-3.0 17,-0.2 -34,-2.1 -0.951 34.3 120.7-118.0 133.4 13.4 57.4 25.9 56 56 A G E -CD 19 71A 0 15,-3.3 15,-2.9 -2,-0.4 2,-0.3 -0.833 42.0-102.5-161.3-154.8 13.0 57.3 29.7 57 57 A Y E -CD 18 70A 2 -39,-1.8 -39,-3.5 13,-0.3 2,-0.6 -0.883 22.3-115.0-147.7 166.7 14.3 56.2 33.1 58 58 A I > - 0 0 0 11,-1.3 3,-0.6 -2,-0.3 11,-0.4 -0.954 39.8-129.9-107.1 116.0 13.8 53.6 35.8 59 59 A N T 3 S+ 0 0 12 -2,-0.6 -43,-0.1 -53,-0.5 3,-0.1 -0.326 85.9 33.2 -71.2 154.2 12.6 55.3 39.0 60 60 A H T 3 S+ 0 0 86 1,-0.3 2,-0.4 -53,-0.1 112,-0.2 0.779 95.3 114.1 73.1 27.4 14.4 54.6 42.3 61 61 A T < - 0 0 6 -3,-0.6 2,-0.5 111,-0.1 -1,-0.3 -0.965 48.9-163.2-129.6 147.2 17.7 54.3 40.6 62 62 A L - 0 0 67 106,-1.6 109,-0.2 -2,-0.4 5,-0.1 -0.989 15.0-160.7-132.8 112.8 20.8 56.5 40.9 63 63 A S > - 0 0 10 4,-3.2 3,-1.0 -2,-0.5 39,-0.1 -0.153 39.4 -90.9 -82.7-174.9 23.3 55.9 38.1 64 64 A L T 3 S+ 0 0 130 1,-0.2 38,-0.1 37,-0.1 -1,-0.0 0.957 122.6 59.2 -63.8 -47.9 26.9 57.0 38.3 65 65 A D T 3 S- 0 0 35 36,-0.6 -1,-0.2 1,-0.1 37,-0.0 0.249 122.8 -95.9 -66.2 7.4 26.2 60.4 36.8 66 66 A G S < S+ 0 0 47 -3,-1.0 -1,-0.1 1,-0.3 -2,-0.1 0.008 96.9 92.4 101.7 -23.0 23.7 61.5 39.5 67 67 A D S S- 0 0 89 1,-0.1 -4,-3.2 -5,-0.1 -1,-0.3 -0.623 83.4 -94.0-105.5 160.5 20.6 60.4 37.5 68 68 A P - 0 0 16 0, 0.0 -6,-0.1 0, 0.0 -1,-0.1 -0.228 62.7 -79.7 -62.5 160.7 18.4 57.3 37.3 69 69 A V - 0 0 0 -11,-0.4 -11,-1.3 96,-0.1 2,-0.4 -0.329 48.3-134.7 -65.0 154.0 19.4 54.9 34.6 70 70 A D E -De 57 104A 16 33,-0.6 35,-2.7 -13,-0.2 2,-0.4 -0.860 22.0-163.3-109.4 140.3 18.1 56.1 31.2 71 71 A V E -De 56 105A 0 -15,-2.9 -15,-3.3 -2,-0.4 2,-0.5 -0.979 15.9-150.8-130.7 147.7 16.4 53.5 28.9 72 72 A L E -De 55 106A 0 33,-1.6 35,-2.4 -2,-0.4 -17,-0.2 -0.981 19.5-168.0-114.5 123.1 15.6 53.4 25.2 73 73 A V E -D 54 0A 0 -19,-2.7 -19,-1.4 -2,-0.5 35,-0.2 -0.964 10.3-148.8-124.0 108.3 12.5 51.3 24.5 74 74 A P + 0 0 15 0, 0.0 -21,-0.1 0, 0.0 3,-0.1 -0.362 25.4 172.5 -70.2 146.2 11.5 50.2 20.9 75 75 A T - 0 0 30 1,-0.1 4,-0.0 33,-0.1 33,-0.0 -0.965 47.8-114.3-149.4 160.3 7.7 49.8 20.4 76 76 A P S S+ 0 0 67 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.919 106.5 22.2 -59.0 -45.9 5.4 49.2 17.5 77 77 A Y S S- 0 0 177 -3,-0.1 -54,-0.1 1,-0.0 0, 0.0 -0.963 94.9 -93.3-126.3 148.0 4.0 52.7 18.2 78 78 A P - 0 0 76 0, 0.0 2,-0.2 0, 0.0 -54,-0.1 -0.164 42.2-136.9 -59.9 142.3 5.2 55.9 19.9 79 79 A L - 0 0 45 -58,-0.1 -56,-0.1 4,-0.1 6,-0.0 -0.655 20.4 -99.0-100.3 161.4 4.2 56.1 23.6 80 80 A Q > - 0 0 145 -2,-0.2 3,-1.4 -58,-0.1 -61,-0.2 -0.640 42.2-106.6 -79.4 140.8 2.9 59.2 25.5 81 81 A P T 3 S+ 0 0 42 0, 0.0 -61,-0.2 0, 0.0 3,-0.1 -0.512 107.6 30.4 -64.5 140.3 5.4 61.1 27.5 82 82 A G T 3 S+ 0 0 27 -63,-4.5 2,-0.2 1,-0.4 -62,-0.1 0.480 91.8 120.0 90.3 7.9 4.8 60.3 31.2 83 83 A S < - 0 0 39 -3,-1.4 -64,-2.2 -64,-0.3 2,-0.4 -0.720 58.7-128.9-102.9 156.7 3.4 56.8 30.7 84 84 A V E -B 18 0A 61 -2,-0.2 2,-0.4 -66,-0.2 -66,-0.2 -0.910 19.9-167.3-109.3 140.8 5.0 53.7 32.2 85 85 A T E -B 17 0A 12 -68,-2.1 -68,-2.8 -2,-0.4 2,-0.5 -0.968 20.5-128.8-124.5 139.4 6.0 50.6 30.2 86 86 A R E +B 16 0A 39 -2,-0.4 24,-2.6 -70,-0.2 2,-0.3 -0.744 42.8 169.1 -81.8 132.0 7.0 47.3 31.6 87 87 A C E -BF 15 109A 0 -72,-3.5 -72,-2.4 -2,-0.5 24,-0.0 -0.885 36.4-132.5-139.6-179.0 10.2 46.1 30.0 88 88 A R E - F 0 108A 40 20,-2.3 20,-2.6 -2,-0.3 -74,-0.1 -0.995 31.8-123.1-140.6 114.3 13.1 43.6 30.0 89 89 A P E + F 0 107A 0 0, 0.0 18,-0.2 0, 0.0 3,-0.1 -0.228 35.6 164.0 -60.8 140.0 16.7 44.9 29.7 90 90 A V E - 0 0 0 16,-2.5 68,-0.4 1,-0.5 33,-0.3 0.449 55.4 -11.8-139.3 -3.4 18.7 43.5 26.8 91 91 A G E - F 0 106A 0 15,-0.7 15,-2.3 66,-0.2 -1,-0.5 -0.934 53.8-125.8 178.1 172.9 21.9 45.6 26.2 92 92 A V E -GF 156 105A 0 64,-2.0 64,-3.4 -2,-0.3 2,-0.6 -0.969 6.7-145.8-141.5 147.8 23.7 48.8 26.9 93 93 A L E -GF 155 104A 0 11,-2.2 11,-2.6 -2,-0.3 2,-0.4 -0.980 24.9-151.9-114.9 109.9 25.2 51.6 24.9 94 94 A K E +G 154 0A 36 60,-3.6 59,-1.5 -2,-0.6 60,-1.3 -0.657 29.6 149.2 -83.4 135.4 28.3 52.8 26.7 95 95 A M E -G 152 0A 0 -2,-0.4 7,-2.6 57,-0.3 2,-0.3 -0.941 33.1-146.7-164.8 146.8 29.3 56.4 26.2 96 96 A T E +G 151 0A 29 55,-2.2 55,-3.3 -2,-0.3 5,-0.2 -0.835 24.4 168.0-115.9 146.8 31.0 59.0 28.3 97 97 A D - 0 0 7 -2,-0.3 53,-0.2 53,-0.2 51,-0.1 -0.341 58.9 -64.1-133.2-141.8 30.0 62.6 27.9 98 98 A E S S+ 0 0 63 51,-0.4 52,-0.1 1,-0.2 -2,-0.0 0.050 132.1 60.6-105.3 24.2 30.8 65.7 30.1 99 99 A A S S- 0 0 61 0, 0.0 -1,-0.2 0, 0.0 -3,-0.0 0.549 116.9-118.0-108.9 -29.2 28.9 64.3 33.0 100 100 A G S S+ 0 0 39 2,-0.0 2,-0.3 0, 0.0 -2,-0.0 -0.290 80.6 19.7 123.8 -50.3 31.4 61.5 32.9 101 101 A E + 0 0 84 -5,-0.2 -36,-0.6 2,-0.1 -5,-0.2 -0.800 58.1 169.4-157.1 112.0 29.8 58.1 32.1 102 102 A D - 0 0 14 -7,-2.6 -6,-0.1 -2,-0.3 -9,-0.1 -0.523 7.6-179.7-133.0 67.3 26.3 58.0 30.6 103 103 A A - 0 0 11 -9,-0.1 -33,-0.6 -11,-0.1 2,-0.5 -0.335 15.8-149.8 -58.8 140.7 25.4 54.5 29.5 104 104 A K E -eF 70 93A 2 -11,-2.6 -11,-2.2 -35,-0.1 -33,-0.2 -0.975 12.6-142.5-113.9 123.3 21.9 54.2 28.0 105 105 A L E -eF 71 92A 0 -35,-2.7 -33,-1.6 -2,-0.5 2,-0.5 -0.300 5.9-138.6 -76.3 166.8 20.2 50.8 28.5 106 106 A V E -eF 72 91A 0 -15,-2.3 -16,-2.5 -35,-0.2 -15,-0.7 -0.977 26.1-179.5-122.0 121.1 18.1 49.2 25.8 107 107 A A E - F 0 89A 0 -35,-2.4 3,-0.0 -2,-0.5 -36,-0.0 -0.936 15.1-148.3-125.2 141.8 14.9 47.6 27.0 108 108 A V E - F 0 88A 0 -20,-2.6 -20,-2.3 -2,-0.4 -33,-0.1 -0.826 37.6 -88.8-107.7 145.0 12.2 45.7 25.2 109 109 A P E - F 0 87A 5 0, 0.0 -22,-0.3 0, 0.0 8,-0.2 -0.153 53.5-105.6 -44.3 135.4 8.5 45.7 26.1 110 110 A H > - 0 0 29 -24,-2.6 3,-1.2 -95,-0.2 4,-0.4 -0.251 31.9-107.9 -57.4 160.1 7.9 42.8 28.4 111 111 A S T 3 S+ 0 0 52 1,-0.3 3,-0.2 2,-0.2 -1,-0.1 0.588 113.2 69.1 -72.5 -16.7 6.1 39.8 26.8 112 112 A K T 3 S+ 0 0 168 1,-0.2 -1,-0.3 3,-0.1 3,-0.1 0.575 102.8 44.2 -73.3 -15.2 2.9 40.4 28.6 113 113 A L S < S- 0 0 99 -3,-1.2 2,-0.2 1,-0.4 -1,-0.2 0.554 134.9 -14.4-100.0 -14.5 2.3 43.6 26.6 114 114 A S - 0 0 33 -4,-0.4 -1,-0.4 -3,-0.2 3,-0.4 -0.820 45.9-142.3 176.3 144.3 3.3 42.1 23.2 115 115 A K S > S+ 0 0 166 -2,-0.2 3,-2.0 1,-0.2 4,-0.3 0.564 78.7 100.1 -95.6 -8.2 5.1 38.9 21.9 116 116 A E T 3 S+ 0 0 109 1,-0.3 -1,-0.2 2,-0.1 3,-0.1 0.570 87.2 37.8 -50.3 -23.3 6.8 40.9 19.1 117 117 A Y T > S+ 0 0 27 -3,-0.4 3,-1.1 -8,-0.2 -1,-0.3 0.216 78.0 111.2-123.3 20.6 10.1 41.1 21.0 118 118 A D T < S+ 0 0 58 -3,-2.0 -2,-0.1 1,-0.3 -1,-0.1 0.772 77.6 56.1 -60.7 -34.1 10.3 37.7 22.6 119 119 A H T 3 S+ 0 0 119 -4,-0.3 2,-1.3 -3,-0.1 3,-0.3 0.590 86.0 92.0 -75.4 -16.4 13.2 36.7 20.3 120 120 A I < + 0 0 5 -3,-1.1 -12,-0.1 1,-0.2 3,-0.1 -0.727 42.4 138.8 -89.7 98.0 15.1 39.7 21.6 121 121 A K + 0 0 146 -2,-1.3 2,-0.3 1,-0.3 -1,-0.2 0.622 64.4 16.2-108.4 -27.6 17.1 38.3 24.5 122 122 A D S > S- 0 0 55 -3,-0.3 3,-2.3 35,-0.1 4,-0.4 -0.913 88.0 -89.3-145.1 170.4 20.5 39.9 24.1 123 123 A V G > S+ 0 0 19 -33,-0.3 3,-0.6 -2,-0.3 -32,-0.1 0.678 120.6 55.6 -57.3 -26.8 22.1 42.8 22.4 124 124 A N G 3 S+ 0 0 111 1,-0.2 -1,-0.3 4,-0.0 4,-0.1 0.582 96.1 69.4 -83.1 -13.8 23.0 40.9 19.2 125 125 A D G < S+ 0 0 66 -3,-2.3 -1,-0.2 -35,-0.2 -2,-0.2 0.621 82.9 89.6 -76.4 -20.3 19.4 40.0 18.8 126 126 A L S < S- 0 0 6 -3,-0.6 5,-0.1 -4,-0.4 -5,-0.0 -0.598 95.5 -90.2 -77.6 140.6 18.5 43.6 18.1 127 127 A P > - 0 0 72 0, 0.0 4,-1.3 0, 0.0 -1,-0.1 -0.108 26.4-135.8 -51.2 144.5 18.6 44.8 14.5 128 128 A E H > S+ 0 0 143 2,-0.2 4,-3.5 1,-0.2 5,-0.3 0.915 103.8 58.5 -70.9 -42.2 21.9 46.2 13.3 129 129 A L H > S+ 0 0 138 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.903 108.2 45.5 -50.7 -52.5 20.2 49.1 11.6 130 130 A L H > S+ 0 0 32 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.808 113.1 48.9 -60.4 -41.1 18.7 50.2 14.9 131 131 A K H X S+ 0 0 28 -4,-1.3 4,-2.3 2,-0.2 3,-0.4 0.931 111.5 50.0 -70.2 -44.8 21.9 49.8 16.9 132 132 A A H X S+ 0 0 47 -4,-3.5 4,-2.1 1,-0.2 -2,-0.2 0.889 112.9 48.3 -54.9 -44.3 23.7 51.7 14.2 133 133 A Q H X S+ 0 0 77 -4,-2.0 4,-1.2 -5,-0.3 -1,-0.2 0.739 110.4 48.3 -67.9 -33.7 21.1 54.5 14.4 134 134 A I H X S+ 0 0 0 -4,-1.5 4,-2.7 -3,-0.4 5,-0.3 0.886 114.7 46.2 -73.0 -47.3 21.0 54.8 18.3 135 135 A A H X S+ 0 0 15 -4,-2.3 4,-3.0 1,-0.2 -2,-0.2 0.958 113.3 51.8 -54.2 -50.6 24.8 55.0 18.4 136 136 A H H X S+ 0 0 90 -4,-2.1 4,-1.2 -5,-0.3 -1,-0.2 0.837 109.8 46.7 -56.9 -42.3 24.6 57.5 15.6 137 137 A F H X S+ 0 0 2 -4,-1.2 4,-2.9 2,-0.2 -1,-0.2 0.888 112.5 49.2 -66.2 -49.3 22.0 59.7 17.3 138 138 A F H < S+ 0 0 0 -4,-2.7 4,-0.5 1,-0.2 -2,-0.2 0.946 110.0 53.7 -63.8 -40.6 23.8 59.8 20.6 139 139 A E H < S+ 0 0 90 -4,-3.0 11,-0.3 -5,-0.3 -1,-0.2 0.821 124.4 22.1 -60.4 -38.6 27.1 60.6 18.8 140 140 A H H >< S+ 0 0 63 -4,-1.2 3,-2.2 -5,-0.1 4,-0.2 0.653 91.6 93.7-105.8 -18.4 25.6 63.6 17.0 141 141 A Y T 3< S+ 0 0 18 -4,-2.9 -94,-0.5 1,-0.3 3,-0.4 0.783 93.0 42.5 -53.7 -36.1 22.6 65.0 18.8 142 142 A K T > S+ 0 0 24 -4,-0.5 3,-1.7 1,-0.2 -1,-0.3 0.130 79.3 118.3-100.7 24.3 24.4 67.6 20.9 143 143 A D T < S+ 0 0 100 -3,-2.2 -1,-0.2 1,-0.3 -2,-0.1 0.817 79.9 41.2 -52.5 -47.9 26.5 68.7 17.9 144 144 A L T 3 S+ 0 0 117 -3,-0.4 2,-0.7 -4,-0.2 -1,-0.3 0.208 92.5 106.0 -86.0 6.0 25.2 72.2 17.9 145 145 A E X - 0 0 34 -3,-1.7 3,-1.2 3,-0.2 -3,-0.0 -0.897 63.1-150.0 -94.9 109.1 25.3 72.3 21.7 146 146 A K T 3 S+ 0 0 200 -2,-0.7 2,-0.5 1,-0.3 -1,-0.2 0.899 87.9 26.7 -41.6 -72.7 28.2 74.5 22.8 147 147 A G T 3 S+ 0 0 55 2,-0.0 2,-0.3 -49,-0.0 -1,-0.3 -0.247 105.8 87.8 -94.8 45.8 29.2 72.9 26.2 148 148 A K < + 0 0 64 -3,-1.2 2,-0.3 -2,-0.5 -3,-0.2 -0.997 46.2 163.3-143.7 138.8 28.0 69.4 25.6 149 149 A W - 0 0 140 -2,-0.3 -51,-0.4 2,-0.0 2,-0.4 -0.996 17.1-154.9-158.0 155.3 29.7 66.3 24.1 150 150 A V - 0 0 28 -2,-0.3 2,-0.6 -11,-0.3 -53,-0.2 -0.986 9.6-164.3-139.9 131.6 29.7 62.5 23.8 151 151 A K E -G 96 0A 137 -55,-3.3 -55,-2.2 -2,-0.4 2,-1.0 -0.977 26.6-140.5-111.2 115.3 32.1 59.7 23.1 152 152 A V E -G 95 0A 30 -2,-0.6 -57,-0.3 -57,-0.2 3,-0.1 -0.761 17.6-168.8 -82.0 108.1 30.1 56.7 22.2 153 153 A E E - 0 0 101 -59,-1.5 -58,-0.3 -2,-1.0 2,-0.2 0.578 39.1 -98.9 -79.3 -10.8 32.0 54.0 24.0 154 154 A G E -G 94 0A 31 -60,-1.3 -60,-3.6 2,-0.0 2,-0.3 -0.625 43.1 -55.9 120.6 175.6 30.4 50.9 22.4 155 155 A W E -G 93 0A 74 -62,-0.2 2,-0.3 -2,-0.2 -62,-0.2 -0.740 39.9-166.0-100.8 145.0 27.7 48.2 23.1 156 156 A E E -G 92 0A 77 -64,-3.4 -64,-2.0 -2,-0.3 -33,-0.1 -0.888 21.2-104.3-131.7 158.5 27.3 45.8 26.0 157 157 A N > - 0 0 72 -2,-0.3 4,-1.6 -66,-0.2 -66,-0.2 -0.010 37.8 -96.3 -70.2 179.4 25.2 42.7 26.7 158 158 A A H > S+ 0 0 4 -68,-0.4 4,-3.0 1,-0.2 -67,-0.2 0.780 120.3 57.8 -71.5 -26.9 22.2 42.1 28.9 159 159 A E H > S+ 0 0 138 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.909 108.1 46.3 -71.2 -41.6 24.2 40.9 31.9 160 160 A A H > S+ 0 0 20 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.886 113.5 50.5 -66.8 -38.2 26.1 44.2 31.9 161 161 A A H X S+ 0 0 0 -4,-1.6 4,-1.8 1,-0.2 -2,-0.2 0.941 111.3 47.0 -61.3 -53.2 22.8 46.0 31.6 162 162 A K H X S+ 0 0 23 -4,-3.0 4,-1.8 2,-0.2 -1,-0.2 0.643 108.1 56.6 -64.4 -25.3 21.2 44.1 34.4 163 163 A A H X S+ 0 0 59 -4,-1.4 4,-2.6 2,-0.2 -1,-0.2 0.884 106.9 50.0 -70.9 -43.6 24.4 44.7 36.6 164 164 A E H X S+ 0 0 37 -4,-1.8 4,-2.3 2,-0.2 5,-0.3 0.892 108.9 52.4 -58.9 -43.1 23.9 48.5 36.1 165 165 A I H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.965 113.9 41.2 -61.7 -54.3 20.2 48.2 37.1 166 166 A V H X S+ 0 0 64 -4,-1.8 4,-3.1 1,-0.2 5,-0.3 0.915 115.2 51.1 -56.7 -47.2 20.9 46.5 40.3 167 167 A A H X S+ 0 0 41 -4,-2.6 4,-1.4 1,-0.2 -1,-0.2 0.807 113.3 44.3 -62.5 -37.4 23.9 48.6 41.1 168 168 A S H X S+ 0 0 0 -4,-2.3 -106,-1.6 2,-0.2 4,-1.4 0.817 112.1 52.8 -75.9 -38.3 21.9 51.8 40.6 169 169 A F H >X S+ 0 0 52 -4,-2.4 4,-2.0 -5,-0.3 3,-1.1 0.992 113.1 44.6 -59.8 -55.6 18.9 50.5 42.5 170 170 A E H 3< S+ 0 0 82 -4,-3.1 -2,-0.2 1,-0.3 -1,-0.2 0.861 107.5 59.1 -52.8 -42.6 21.2 49.7 45.4 171 171 A R H 3< S+ 0 0 101 -4,-1.4 -1,-0.3 -5,-0.3 -2,-0.2 0.806 111.5 41.1 -58.8 -36.2 23.0 53.0 45.1 172 172 A A H << S+ 0 0 42 -4,-1.4 -1,-0.2 -3,-1.1 -2,-0.2 0.767 111.3 64.6 -84.6 -32.4 19.6 54.8 45.6 173 173 A K S < S- 0 0 80 -4,-2.0 -3,-0.1 -113,-0.1 -113,-0.0 0.475 76.6-132.5 -70.4-148.7 18.4 52.5 48.4 174 174 A N 0 0 149 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.405 360.0 360.0-130.0 -51.6 19.9 52.0 51.9 175 175 A K 0 0 169 0, 0.0 -5,-0.1 0, 0.0 -4,-0.1 0.611 360.0 360.0 -70.5 360.0 19.9 48.2 52.0