==== 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 29-AUG-05 2AUU . COMPND 2 MOLECULE: INORGANIC PYROPHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR V.R.SAMYGINA,A.N.POPOV,S.M.AVAEVA,H.D.BARTUNIK . 175 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8698.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 114 65.1 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 . 43 24.6 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 . 14 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 29 16.6 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 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 1 1 2 1 2 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 0 107 0, 0.0 3,-2.6 0, 0.0 36,-0.1 0.000 360.0 360.0 360.0 179.2 56.7 91.3 10.2 2 2 A L G > + 0 0 26 1,-0.3 3,-2.5 35,-0.2 35,-0.1 0.810 360.0 73.2 -51.4 -35.0 56.2 88.0 12.1 3 3 A L G 3 S+ 0 0 68 1,-0.3 -1,-0.3 33,-0.1 34,-0.1 0.698 92.8 51.0 -59.1 -17.7 55.0 87.0 8.7 4 4 A N G < S+ 0 0 147 -3,-2.6 -1,-0.3 2,-0.1 -2,-0.2 0.407 84.8 115.5-102.8 22.1 58.5 87.0 7.5 5 5 A V < - 0 0 23 -3,-2.5 13,-0.1 -4,-0.1 11,-0.1 -0.668 63.0-128.2 -87.3 132.7 59.9 84.8 10.4 6 6 A P - 0 0 67 0, 0.0 53,-0.4 0, 0.0 10,-0.2 -0.225 17.0-118.5 -68.7 163.3 61.3 81.4 9.4 7 7 A A S S- 0 0 4 1,-0.3 9,-2.6 51,-0.2 2,-0.3 0.872 85.8 -46.1 -61.3 -38.4 60.2 78.2 11.1 8 8 A G - 0 0 19 7,-0.3 3,-0.4 1,-0.1 -1,-0.3 -0.922 45.5-100.6 176.9 163.7 63.8 77.8 12.1 9 9 A K S S- 0 0 135 -2,-0.3 6,-0.2 1,-0.2 -1,-0.1 0.794 118.1 -1.0 -65.0 -31.7 67.6 78.0 11.3 10 10 A D B >> S-A 14 0A 106 4,-2.2 4,-2.1 -3,-0.1 3,-0.7 -0.429 98.4-120.1-166.1 81.3 67.7 74.2 11.0 11 11 A L T 34 S+ 0 0 38 -3,-0.4 -3,-0.1 1,-0.3 4,-0.1 -0.409 83.1 16.2 -65.7 146.8 64.4 72.4 11.7 12 12 A P T 34 S+ 0 0 32 0, 0.0 -1,-0.3 0, 0.0 3,-0.2 -0.999 132.3 37.1 -89.5 0.7 63.6 70.4 13.6 13 13 A E T <4 S+ 0 0 78 -3,-0.7 2,-0.5 1,-0.2 -2,-0.2 0.779 121.8 40.9 -81.4 -24.7 66.6 70.8 16.0 14 14 A D B < S+A 10 0A 14 -4,-2.1 -4,-2.2 74,-0.1 2,-0.3 -0.941 79.7 160.8-127.4 100.9 66.9 74.6 15.7 15 15 A I E -B 87 0B 1 72,-2.4 72,-3.0 -2,-0.5 2,-0.4 -0.783 35.6-130.5-121.0 163.2 63.6 76.4 15.6 16 16 A Y E -B 86 0B 61 -9,-2.6 2,-0.5 -2,-0.3 43,-0.4 -0.953 19.6-158.9-110.8 137.8 62.1 79.9 16.1 17 17 A V E -B 85 0B 0 68,-2.6 68,-2.5 -2,-0.4 2,-0.6 -0.970 8.9-145.9-116.2 123.7 59.0 80.3 18.4 18 18 A V E -BC 84 57B 1 39,-2.8 39,-2.1 -2,-0.5 2,-0.4 -0.802 24.0-135.4 -82.9 121.0 56.8 83.3 18.1 19 19 A I E + C 0 56B 0 64,-3.0 63,-3.6 -2,-0.6 37,-0.3 -0.674 34.6 164.4 -85.3 130.8 55.5 84.1 21.5 20 20 A E E S+ 0 0 12 35,-2.8 36,-0.2 -2,-0.4 10,-0.2 0.724 70.9 28.5-105.3 -36.9 51.9 85.0 22.0 21 21 A I E S- C 0 55B 3 34,-2.4 34,-3.0 59,-0.1 -1,-0.3 -0.996 76.6-134.0-132.7 123.8 51.4 84.6 25.8 22 22 A P > - 0 0 19 0, 0.0 3,-0.9 0, 0.0 29,-0.3 -0.399 35.0 -94.0 -73.5 157.1 54.1 85.2 28.4 23 23 A A T 3 S+ 0 0 9 1,-0.2 31,-0.1 50,-0.2 30,-0.0 -0.386 106.9 10.1 -57.8 143.7 54.7 82.8 31.3 24 24 A N T 3 S+ 0 0 101 27,-2.4 -1,-0.2 1,-0.2 2,-0.2 0.803 98.9 143.4 61.1 35.2 52.8 83.7 34.5 25 25 A A < - 0 0 32 -3,-0.9 -1,-0.2 1,-0.2 26,-0.2 -0.477 58.9 -73.9-103.0 173.3 50.8 86.4 32.9 26 26 A D - 0 0 128 -2,-0.2 2,-2.4 1,-0.1 -1,-0.2 -0.258 60.1 -95.3 -60.1 152.7 47.3 87.7 33.2 27 27 A P S S+ 0 0 58 0, 0.0 18,-2.4 0, 0.0 2,-0.6 -0.207 78.4 131.1 -78.7 53.3 44.6 85.4 31.6 28 28 A I E -I 44 0C 40 -2,-2.4 2,-1.1 16,-0.2 16,-0.2 -0.935 49.0-148.9-102.4 117.0 44.4 87.1 28.3 29 29 A K E -I 43 0C 9 14,-2.9 13,-2.7 -2,-0.6 14,-1.2 -0.746 20.0-172.3 -92.8 95.0 44.7 84.5 25.5 30 30 A Y E -I 41 0C 65 -2,-1.1 2,-0.3 11,-0.2 11,-0.2 -0.660 5.7-174.9 -82.0 147.6 46.4 86.3 22.6 31 31 A E E -I 40 0C 46 9,-2.6 9,-2.5 -2,-0.2 2,-0.2 -0.989 28.0-117.0-140.6 136.9 46.8 84.8 19.2 32 32 A I E -I 39 0C 23 -2,-0.3 2,-0.4 7,-0.2 7,-0.2 -0.496 30.5-127.2 -71.2 131.3 48.6 86.1 16.1 33 33 A D > - 0 0 40 5,-3.0 4,-2.7 -2,-0.2 5,-0.1 -0.703 13.2-141.7 -79.3 126.2 46.2 86.8 13.2 34 34 A K T 4 S+ 0 0 120 -2,-0.4 -1,-0.1 1,-0.2 -2,-0.0 0.824 93.8 41.0 -61.2 -34.6 47.5 85.0 10.1 35 35 A E T 4 S+ 0 0 173 1,-0.1 -1,-0.2 3,-0.1 -32,-0.0 0.903 126.9 29.0 -90.9 -31.2 46.6 87.6 7.6 36 36 A S T 4 S- 0 0 60 2,-0.1 -2,-0.2 -33,-0.0 -1,-0.1 0.709 89.5-134.5 -95.5 -21.0 47.6 90.8 9.5 37 37 A G < + 0 0 9 -4,-2.7 -35,-0.2 1,-0.3 2,-0.2 0.477 60.7 135.8 78.2 -1.1 50.4 89.5 11.7 38 38 A A - 0 0 45 -5,-0.1 -5,-3.0 -6,-0.1 2,-0.7 -0.490 62.9-111.1 -81.7 153.2 48.8 91.4 14.6 39 39 A L E -I 32 0C 62 -7,-0.2 2,-0.3 -2,-0.2 -7,-0.2 -0.726 40.0-171.3 -82.0 114.1 48.3 90.1 18.1 40 40 A F E -I 31 0C 111 -9,-2.5 -9,-2.6 -2,-0.7 2,-0.8 -0.791 28.8-115.9-105.8 148.6 44.6 89.7 18.7 41 41 A V E -I 30 0C 66 -2,-0.3 -11,-0.2 -11,-0.2 3,-0.1 -0.722 28.6-176.2 -78.2 115.4 42.8 88.9 21.9 42 42 A D E - 0 0 70 -13,-2.7 2,-0.3 -2,-0.8 -1,-0.2 0.925 62.3 -37.6 -77.6 -47.5 41.2 85.5 21.3 43 43 A R E -I 29 0C 30 -14,-1.2 -14,-2.9 -3,-0.2 2,-0.6 -0.976 50.3-105.2-165.4 169.4 39.5 85.5 24.6 44 44 A F E -I 28 0C 146 -2,-0.3 -16,-0.2 -16,-0.2 -3,-0.0 -0.946 51.4-121.2 -97.8 111.7 39.7 86.4 28.3 45 45 A M - 0 0 17 -18,-2.4 97,-0.1 -2,-0.6 96,-0.0 -0.292 14.6-149.3 -61.6 142.2 40.2 83.0 30.0 46 46 A S S S+ 0 0 70 95,-0.3 2,-0.2 2,-0.1 -1,-0.1 0.797 72.6 75.1 -85.1 -27.0 37.5 82.0 32.5 47 47 A T S S- 0 0 15 94,-0.6 2,-1.8 1,-0.1 94,-0.1 -0.540 88.3-116.5 -86.6 156.7 39.6 79.9 34.9 48 48 A A S S+ 0 0 111 -2,-0.2 2,-0.3 2,-0.0 -1,-0.1 -0.484 75.0 119.7 -89.8 67.8 42.1 81.4 37.4 49 49 A M - 0 0 40 -2,-1.8 2,-0.3 92,-0.1 -4,-0.1 -0.890 46.4-155.4-130.0 157.8 45.1 79.8 35.7 50 50 A F - 0 0 102 -2,-0.3 -24,-0.1 -23,-0.1 -27,-0.1 -0.963 33.8 -96.4-131.9 156.8 48.3 81.0 34.0 51 51 A Y - 0 0 7 -2,-0.3 -27,-2.4 -29,-0.3 -26,-0.2 -0.528 27.5-144.1 -72.0 127.3 50.5 79.4 31.4 52 52 A P S S+ 0 0 20 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.711 83.3 18.3 -66.4 -19.9 53.5 77.7 33.2 53 53 A C S S- 0 0 2 21,-0.1 -29,-0.1 -31,-0.1 2,-0.0 -0.893 103.6 -74.0-138.0 167.8 55.8 78.7 30.4 54 54 A N E - D 0 73B 0 19,-1.6 19,-2.5 -2,-0.3 2,-0.4 -0.385 54.6-149.0 -60.2 147.3 55.8 81.2 27.6 55 55 A Y E +CD 21 72B 3 -34,-3.0 -35,-2.8 17,-0.2 -34,-2.4 -0.972 35.8 107.8-131.7 133.9 53.4 80.1 24.9 56 56 A G E -CD 19 71B 0 15,-2.5 15,-2.3 -2,-0.4 2,-0.3 -0.752 46.9 -92.7-165.9-142.5 53.4 80.5 21.1 57 57 A Y E -CD 18 70B 11 -39,-2.1 -39,-2.8 13,-0.3 2,-0.6 -0.947 25.2-104.4-151.3 165.7 54.0 78.7 17.8 58 58 A I > - 0 0 0 11,-1.7 3,-0.7 -2,-0.3 11,-0.3 -0.909 43.5-125.6 -96.3 121.4 56.3 77.8 15.0 59 59 A N T 3 S+ 0 0 17 -2,-0.6 -43,-0.1 -53,-0.4 3,-0.1 -0.246 89.5 26.5 -64.1 155.3 55.7 80.0 11.9 60 60 A H T 3 S+ 0 0 95 1,-0.2 2,-0.3 -54,-0.1 -1,-0.2 0.833 98.1 110.6 57.5 38.5 55.1 78.2 8.6 61 61 A T < - 0 0 5 -3,-0.7 2,-0.3 111,-0.1 -1,-0.2 -0.879 52.9-152.4-127.5 163.3 53.7 75.1 10.2 62 62 A L - 0 0 31 106,-1.2 110,-0.2 -2,-0.3 109,-0.2 -0.945 8.9-170.4-139.6 118.3 50.2 73.7 10.3 63 63 A S > - 0 0 4 4,-3.0 3,-0.7 -2,-0.3 39,-0.1 -0.245 41.7 -98.0 -86.8-176.2 48.6 71.5 13.1 64 64 A L T 3 S+ 0 0 105 37,-0.8 37,-0.4 1,-0.2 38,-0.1 0.173 117.0 68.7 -92.8 10.2 45.2 69.7 12.9 65 65 A D T 3 S- 0 0 15 2,-0.4 -1,-0.2 35,-0.2 35,-0.1 0.274 119.2-106.4-106.3 7.3 43.4 72.5 14.9 66 66 A G S < S+ 0 0 46 -3,-0.7 -2,-0.1 1,-0.3 34,-0.1 0.551 91.9 95.8 80.2 13.8 43.9 74.7 11.9 67 67 A D S S- 0 0 53 1,-0.1 -4,-3.0 3,-0.0 -2,-0.4 -0.843 85.8 -85.0-125.9 159.9 46.6 76.7 13.6 68 68 A P - 0 0 17 0, 0.0 -6,-0.2 0, 0.0 -9,-0.1 -0.233 66.7 -78.4 -54.5 151.2 50.5 76.6 13.6 69 69 A V - 0 0 0 -11,-0.3 -11,-1.7 1,-0.1 2,-0.2 -0.289 51.7-121.7 -66.3 143.1 52.0 74.1 16.0 70 70 A D E -De 57 104B 7 33,-0.7 35,-2.5 -13,-0.2 2,-0.4 -0.565 27.0-170.4 -93.3 140.2 52.0 75.2 19.5 71 71 A V E -De 56 105B 0 -15,-2.3 -15,-2.5 -2,-0.2 2,-0.4 -0.996 16.3-152.4-135.2 139.1 55.1 75.5 21.7 72 72 A L E -De 55 106B 0 33,-3.1 35,-2.5 -2,-0.4 -17,-0.2 -0.908 17.4-168.2-102.2 130.6 55.8 76.1 25.4 73 73 A V E -D 54 0B 0 -19,-2.5 -19,-1.6 -2,-0.4 2,-0.2 -0.943 10.1-148.4-126.9 108.7 59.2 77.7 26.1 74 74 A P + 0 0 14 0, 0.0 -21,-0.1 0, 0.0 43,-0.1 -0.560 26.7 168.4 -74.5 138.3 60.6 77.9 29.6 75 75 A T - 0 0 28 -2,-0.2 4,-0.0 33,-0.1 -2,-0.0 -0.973 47.0-115.4-141.8 161.8 62.7 80.9 30.3 76 76 A P S S+ 0 0 69 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.780 105.2 22.4 -69.2 -25.6 64.2 82.6 33.4 77 77 A Y S S- 0 0 182 -3,-0.0 -54,-0.1 0, 0.0 0, 0.0 -0.991 98.9 -92.1-139.4 143.6 62.0 85.7 32.8 78 78 A P - 0 0 78 0, 0.0 2,-0.2 0, 0.0 -54,-0.0 -0.261 41.2-129.2 -61.6 142.9 58.8 86.1 30.8 79 79 A L - 0 0 42 -58,-0.1 3,-0.0 1,-0.1 6,-0.0 -0.495 22.1-101.3 -89.4 161.0 59.0 87.0 27.2 80 80 A Q > - 0 0 142 -2,-0.2 3,-2.2 1,-0.1 -61,-0.2 -0.577 39.7-106.2 -78.5 134.3 57.2 89.8 25.4 81 81 A P T 3 S+ 0 0 33 0, 0.0 -61,-0.2 0, 0.0 3,-0.1 -0.396 109.1 27.1 -60.8 135.3 54.1 88.9 23.3 82 82 A G T 3 S+ 0 0 29 -63,-3.6 2,-0.1 1,-0.4 -62,-0.1 0.320 94.5 121.0 93.0 -8.2 55.2 89.1 19.7 83 83 A S < - 0 0 37 -3,-2.2 -64,-3.0 -64,-0.2 2,-0.4 -0.421 55.9-133.0 -83.9 164.8 58.8 88.4 20.3 84 84 A V E -B 18 0B 57 -66,-0.2 2,-0.4 -2,-0.1 -66,-0.2 -0.977 16.6-164.9-124.4 132.2 60.7 85.5 18.7 85 85 A T E -B 17 0B 13 -68,-2.5 -68,-2.6 -2,-0.4 2,-0.4 -0.978 18.8-132.7-125.9 133.3 63.0 83.0 20.5 86 86 A R E +B 16 0B 35 -2,-0.4 24,-2.1 -70,-0.2 2,-0.3 -0.641 44.3 163.0 -75.5 128.0 65.4 80.5 19.1 87 87 A C E -BF 15 109B 0 -72,-3.0 -72,-2.4 -2,-0.4 -14,-0.0 -0.884 38.1-127.6-145.8 177.5 64.9 77.2 20.8 88 88 A R E - F 0 108B 35 20,-2.5 20,-2.6 -2,-0.3 -74,-0.1 -0.997 31.7-120.5-130.3 120.6 65.5 73.4 20.7 89 89 A P E + F 0 107B 2 0, 0.0 18,-0.3 0, 0.0 73,-0.1 -0.394 34.5 166.8 -67.7 140.0 62.7 70.9 21.1 90 90 A V E - 0 0 0 16,-2.9 68,-0.4 1,-0.4 33,-0.3 0.526 58.7 -21.9-127.8 -9.7 62.9 68.5 24.1 91 91 A G E - F 0 106B 0 15,-1.2 15,-2.8 67,-0.2 -1,-0.4 -0.954 52.2-128.4 178.8 178.3 59.5 66.8 24.4 92 92 A V E -GF 156 105B 1 64,-2.2 64,-2.7 -2,-0.3 2,-0.7 -0.985 8.3-142.3-153.1 136.6 55.8 67.0 23.7 93 93 A L E -GF 155 104B 0 11,-2.9 11,-2.4 -2,-0.3 2,-0.3 -0.925 28.8-141.6 -94.4 113.6 52.5 66.8 25.5 94 94 A K E +G 154 0B 44 60,-2.9 59,-3.2 -2,-0.7 60,-0.5 -0.639 38.4 141.6 -79.5 136.8 50.1 64.9 23.3 95 95 A M E -G 152 0B 0 -2,-0.3 7,-2.5 57,-0.3 2,-0.3 -0.962 36.9-143.3-164.4 159.3 46.5 66.2 23.4 96 96 A T E -GH 151 101B 38 55,-1.4 55,-2.7 -2,-0.3 2,-0.2 -0.900 19.3-176.6-118.8 147.8 43.3 67.0 21.4 97 97 A D E > -GH 150 100B 6 3,-2.4 3,-1.7 -2,-0.3 53,-0.2 -0.797 48.2 -76.5-135.6-171.3 40.9 69.9 21.8 98 98 A E T 3 S+ 0 0 58 51,-1.3 3,-0.1 1,-0.3 52,-0.1 0.711 128.3 52.3 -58.1 -26.3 37.6 71.1 20.3 99 99 A A T 3 S- 0 0 54 1,-0.3 -1,-0.3 50,-0.2 2,-0.2 0.568 124.1 -88.4 -90.5 -9.7 39.3 72.4 17.2 100 100 A G E < S-H 97 0B 22 -3,-1.7 -3,-2.4 -35,-0.1 -1,-0.3 -0.773 76.0 -13.1 135.9-166.3 41.2 69.1 16.5 101 101 A E E +H 96 0B 44 -37,-0.4 -37,-0.8 -5,-0.2 -5,-0.3 -0.374 60.1 177.3 -72.4 144.2 44.4 67.4 17.5 102 102 A D - 0 0 3 -7,-2.5 -1,-0.1 -38,-0.1 -6,-0.1 -0.445 11.0-162.8-152.3 61.6 46.7 69.9 19.1 103 103 A A - 0 0 0 1,-0.1 -33,-0.7 -9,-0.1 2,-0.6 -0.062 13.9-140.0 -50.5 146.8 50.1 68.7 20.5 104 104 A K E -eF 70 93B 0 -11,-2.4 -11,-2.9 -35,-0.1 -33,-0.2 -0.920 19.1-158.5-116.5 101.4 51.9 71.0 22.9 105 105 A L E -eF 71 92B 1 -35,-2.5 -33,-3.1 -2,-0.6 2,-0.5 -0.470 5.2-147.4 -73.5 150.4 55.7 71.0 22.2 106 106 A V E +eF 72 91B 0 -15,-2.8 -16,-2.9 -35,-0.2 -15,-1.2 -0.995 22.4 172.9-118.2 127.1 58.2 72.0 24.8 107 107 A A E - F 0 89B 1 -35,-2.5 3,-0.1 -2,-0.5 -90,-0.0 -0.995 18.2-145.6-134.8 136.4 61.3 73.7 23.5 108 108 A V E - F 0 88B 0 -20,-2.6 -20,-2.5 -2,-0.4 -33,-0.1 -0.677 37.3 -81.5-103.3 154.3 64.1 75.3 25.5 109 109 A P E - F 0 87B 8 0, 0.0 -22,-0.3 0, 0.0 8,-0.2 -0.226 56.5-103.2 -51.8 137.0 66.1 78.4 24.7 110 110 A H >> - 0 0 28 -24,-2.1 3,-2.0 -95,-0.1 4,-1.3 -0.281 27.4-110.2 -62.7 148.7 69.0 77.6 22.3 111 111 A S T 34 S+ 0 0 53 1,-0.3 -1,-0.1 2,-0.2 7,-0.1 0.728 117.1 61.7 -50.5 -31.7 72.5 77.3 23.7 112 112 A K T 34 S+ 0 0 158 1,-0.2 -1,-0.3 3,-0.1 3,-0.1 0.713 106.8 45.0 -67.6 -27.0 73.5 80.5 21.9 113 113 A L T <4 S- 0 0 88 -3,-2.0 2,-0.3 1,-0.4 -2,-0.2 0.732 135.3 -19.6 -84.8 -29.9 70.9 82.4 23.9 114 114 A S < - 0 0 47 -4,-1.3 -1,-0.4 -5,-0.1 3,-0.3 -0.921 42.2-139.1-175.3 146.3 71.8 80.8 27.2 115 115 A K S > S+ 0 0 157 -2,-0.3 3,-1.5 1,-0.2 4,-0.4 0.444 82.5 98.2 -89.5 -0.9 73.6 77.8 28.6 116 116 A E T 3 S+ 0 0 97 1,-0.3 3,-0.4 2,-0.1 -1,-0.2 0.830 89.8 34.7 -62.0 -38.8 70.9 77.4 31.3 117 117 A Y T > S+ 0 0 20 -3,-0.3 3,-1.7 -8,-0.2 -1,-0.3 0.248 83.4 104.5-103.6 9.8 69.0 74.8 29.4 118 118 A D T < S+ 0 0 58 -3,-1.5 -1,-0.2 1,-0.3 -2,-0.1 0.842 76.8 59.8 -63.4 -30.6 71.8 72.9 27.8 119 119 A H T 3 S+ 0 0 129 -4,-0.4 2,-1.1 -3,-0.4 -1,-0.3 0.552 84.6 88.6 -72.3 -9.3 71.5 70.1 30.3 120 120 A I < + 0 0 6 -3,-1.7 -12,-0.1 1,-0.2 -1,-0.1 -0.757 45.6 151.1 -91.3 100.4 67.9 69.5 29.2 121 121 A K + 0 0 161 -2,-1.1 2,-0.3 1,-0.2 -1,-0.2 0.711 62.1 5.6 -98.4 -27.9 68.3 67.0 26.4 122 122 A D S >> S- 0 0 58 -3,-0.2 3,-2.4 35,-0.1 4,-0.6 -0.909 87.8 -82.8-153.3 173.4 65.1 65.1 26.5 123 123 A V G >4 S+ 0 0 12 -33,-0.3 3,-1.2 1,-0.3 -32,-0.1 0.839 120.1 61.4 -62.6 -32.5 61.8 65.0 28.1 124 124 A N G 34 S+ 0 0 132 1,-0.2 -1,-0.3 -34,-0.1 4,-0.1 0.623 97.1 62.6 -65.9 -13.4 63.0 63.2 31.2 125 125 A D G <4 S+ 0 0 70 -3,-2.4 -1,-0.2 -35,-0.2 -2,-0.2 0.611 81.0 96.6 -89.0 -13.3 65.3 66.1 31.9 126 126 A L S << S- 0 0 4 -3,-1.2 -5,-0.0 -4,-0.6 2,-0.0 -0.550 93.5 -93.1 -66.2 144.6 62.5 68.5 32.3 127 127 A P > - 0 0 69 0, 0.0 4,-2.2 0, 0.0 5,-0.2 -0.352 26.8-133.0 -57.6 138.0 61.5 69.1 36.0 128 128 A E H > S+ 0 0 124 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.857 106.6 55.1 -58.2 -37.3 58.7 66.8 37.1 129 129 A L H > S+ 0 0 119 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.917 107.6 48.0 -64.6 -43.1 57.0 69.7 38.7 130 130 A L H > S+ 0 0 27 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.943 112.9 47.9 -62.1 -46.8 57.0 71.7 35.5 131 131 A K H X S+ 0 0 11 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.917 112.8 48.9 -60.9 -40.9 55.7 68.8 33.4 132 132 A A H X S+ 0 0 59 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.904 111.2 50.0 -66.7 -36.4 53.0 68.1 36.0 133 133 A Q H X S+ 0 0 86 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.901 110.6 49.9 -67.3 -40.4 52.0 71.8 36.0 134 134 A I H X S+ 0 0 1 -4,-2.4 4,-2.2 2,-0.2 5,-0.2 0.934 112.3 46.9 -63.5 -49.4 51.8 71.9 32.2 135 135 A A H X S+ 0 0 14 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.927 113.4 48.7 -61.0 -43.5 49.6 68.8 32.1 136 136 A H H X S+ 0 0 96 -4,-2.6 4,-1.4 1,-0.2 -1,-0.2 0.885 109.0 54.0 -62.6 -39.3 47.4 70.1 34.8 137 137 A F H >X S+ 0 0 3 -4,-2.4 4,-3.0 1,-0.2 3,-0.7 0.941 111.9 42.4 -57.0 -54.6 47.0 73.4 33.1 138 138 A F H 3< S+ 0 0 0 -4,-2.2 4,-0.3 1,-0.3 -1,-0.2 0.851 112.1 56.2 -67.5 -29.0 45.9 71.9 29.8 139 139 A E H 3< S+ 0 0 90 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.798 124.8 19.9 -65.6 -32.7 43.6 69.5 31.6 140 140 A H H X< S+ 0 0 62 -4,-1.4 3,-2.1 -3,-0.7 4,-0.2 0.595 92.9 90.9-119.5 -15.0 41.8 72.3 33.4 141 141 A Y T 3< S+ 0 0 5 -4,-3.0 -94,-0.6 1,-0.3 3,-0.3 0.707 96.7 44.2 -65.0 -21.1 42.2 75.7 31.6 142 142 A K T > S+ 0 0 10 -4,-0.3 3,-1.5 -5,-0.2 6,-0.3 0.194 79.1 111.0 -99.9 9.2 39.1 75.2 29.5 143 143 A D T < S+ 0 0 100 -3,-2.1 -1,-0.2 1,-0.3 -2,-0.1 0.711 83.9 39.0 -60.5 -26.8 36.9 73.8 32.3 144 144 A L T 3 S+ 0 0 122 -3,-0.3 2,-0.6 -4,-0.2 -1,-0.3 0.315 95.4 90.1-106.6 7.9 34.7 76.9 32.4 145 145 A E S X S- 0 0 30 -3,-1.5 3,-1.9 3,-0.2 2,-0.1 -0.930 73.5-138.0-111.3 109.9 34.4 77.6 28.6 146 146 A K T 3 S+ 0 0 213 -2,-0.6 3,-0.1 1,-0.3 -2,-0.1 -0.424 88.6 20.5 -65.9 132.3 31.5 75.8 27.1 147 147 A G T 3 S+ 0 0 65 1,-0.2 2,-0.4 -2,-0.1 -1,-0.3 0.466 104.0 98.5 86.5 -1.7 32.3 74.2 23.8 148 148 A K < + 0 0 64 -3,-1.9 2,-0.3 -6,-0.3 -1,-0.2 -0.967 50.4 156.4-114.3 133.8 36.1 74.2 24.5 149 149 A W - 0 0 134 -2,-0.4 -51,-1.3 -3,-0.1 2,-0.3 -0.961 25.3-147.1-158.7 165.7 37.5 70.9 25.8 150 150 A V E -G 97 0B 33 -2,-0.3 2,-0.5 -53,-0.2 -53,-0.2 -0.985 11.4-164.2-137.2 137.6 40.7 68.9 26.1 151 151 A K E -G 96 0B 137 -55,-2.7 -55,-1.4 -2,-0.3 2,-0.4 -0.848 19.8-158.1-119.7 105.2 41.9 65.3 26.1 152 152 A V E -G 95 0B 23 -2,-0.5 -57,-0.3 -57,-0.2 -58,-0.0 -0.662 11.9-179.4 -78.8 132.9 45.5 65.2 27.5 153 153 A E E - 0 0 105 -59,-3.2 -58,-0.2 -2,-0.4 -1,-0.1 0.323 41.3 -91.8-118.7 11.1 47.1 62.0 26.3 154 154 A G E -G 94 0B 30 -60,-0.5 -60,-2.9 2,-0.0 -1,-0.3 -0.070 43.9 -56.1 103.3 168.0 50.7 62.1 27.9 155 155 A W E -G 93 0B 72 -62,-0.2 2,-0.3 -2,-0.0 -62,-0.2 -0.598 41.1-173.8 -87.4 142.5 54.3 63.0 27.4 156 156 A E E -G 92 0B 90 -64,-2.7 -64,-2.2 -2,-0.2 -2,-0.0 -0.845 25.9 -98.8-131.9 164.6 56.5 62.0 24.5 157 157 A N > - 0 0 72 -2,-0.3 4,-2.0 -66,-0.2 -66,-0.2 0.026 37.8 -88.8 -87.9-175.7 60.2 62.5 23.9 158 158 A A H > S+ 0 0 5 -68,-0.4 4,-3.0 1,-0.2 -67,-0.2 0.868 123.6 54.4 -63.5 -35.8 62.4 64.9 21.9 159 159 A E H > S+ 0 0 116 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.912 108.3 49.9 -66.4 -37.7 62.3 62.7 18.8 160 160 A A H > S+ 0 0 24 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.883 110.9 49.3 -62.5 -39.6 58.5 62.7 18.9 161 161 A A H X S+ 0 0 0 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.914 111.3 49.3 -61.5 -46.2 58.6 66.5 19.2 162 162 A K H X S+ 0 0 42 -4,-3.0 4,-2.5 1,-0.2 5,-0.2 0.890 108.4 52.9 -63.0 -39.0 61.0 66.7 16.3 163 163 A A H X S+ 0 0 56 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.907 108.7 51.7 -64.0 -40.7 58.8 64.4 14.2 164 164 A E H X S+ 0 0 26 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.887 108.8 49.8 -60.3 -39.8 55.8 66.7 14.9 165 165 A I H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.935 112.7 46.8 -63.3 -47.1 57.7 69.7 13.8 166 166 A V H X S+ 0 0 67 -4,-2.5 4,-2.6 1,-0.2 5,-0.3 0.944 113.2 48.4 -65.0 -46.2 58.8 68.1 10.6 167 167 A A H X S+ 0 0 43 -4,-2.8 4,-2.1 -5,-0.2 -1,-0.2 0.921 112.7 47.6 -63.7 -35.8 55.3 66.9 9.9 168 168 A S H X S+ 0 0 0 -4,-2.6 4,-2.1 2,-0.2 -106,-1.2 0.872 109.5 53.5 -72.3 -33.0 53.7 70.3 10.6 169 169 A F H X S+ 0 0 64 -4,-2.4 4,-0.8 -108,-0.2 -2,-0.2 0.900 111.4 46.7 -65.0 -40.6 56.3 72.0 8.4 170 170 A E H X S+ 0 0 97 -4,-2.6 4,-1.1 -5,-0.2 -2,-0.2 0.878 109.0 56.9 -65.0 -36.6 55.3 69.6 5.6 171 171 A R H >< S+ 0 0 69 -4,-2.1 3,-1.2 -5,-0.3 -2,-0.2 0.991 108.4 42.4 -63.5 -57.7 51.6 70.2 6.2 172 172 A A H >< S+ 0 0 22 -4,-2.1 3,-1.1 1,-0.2 -1,-0.2 0.780 105.0 70.4 -58.9 -22.6 51.6 74.0 5.8 173 173 A K H 3< S+ 0 0 130 -4,-0.8 -1,-0.2 1,-0.3 -2,-0.2 0.784 110.7 27.2 -73.6 -28.7 53.9 73.5 2.8 174 174 A N T << 0 0 130 -3,-1.2 -1,-0.3 -4,-1.1 -2,-0.2 -0.020 360.0 360.0-118.6 35.5 51.3 72.0 0.5 175 175 A K < 0 0 190 -3,-1.1 -3,-0.2 -5,-0.1 -4,-0.0 -0.368 360.0 360.0-150.9 360.0 48.6 73.8 2.4