==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 02-OCT-06 2IK1 . COMPND 2 MOLECULE: INORGANIC PYROPHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR E.OKSANEN,A.K.AHONEN,H.TUOMINEN,V.TUOMINEN,R.LAHTI, . 556 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23490.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 367 66.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 26 4.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 121 21.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 1.1 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 . 51 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 69 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 70 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.6 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 2 0 0 0 2 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 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 0 0 PARALLEL BRIDGES PER LADDER . 5 9 6 2 2 3 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 5 0 1 1 1 0 1 1 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 T 0 0 127 0, 0.0 21,-2.5 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 131.8 29.7 -2.4 -8.9 2 2 A Y E +A 21 0A 63 19,-0.2 2,-0.2 124,-0.1 19,-0.2 -0.820 360.0 156.2 -98.7 132.5 27.8 -1.5 -5.7 3 3 A T E -A 20 0A 60 17,-2.0 17,-2.2 -2,-0.4 2,-0.3 -0.675 33.0-111.6-130.8-172.2 28.4 1.8 -3.9 4 4 A T E -A 19 0A 53 15,-0.2 2,-0.4 -2,-0.2 15,-0.2 -0.948 10.4-155.4-127.8 153.2 26.4 4.0 -1.5 5 5 A R E -A 18 0A 40 13,-2.3 13,-2.6 -2,-0.3 2,-0.5 -0.985 15.2-155.3-125.6 119.1 24.8 7.4 -1.7 6 6 A Q E -A 17 0A 53 -2,-0.4 251,-3.0 11,-0.2 2,-0.4 -0.824 5.2-165.8 -98.5 127.8 24.3 9.3 1.6 7 7 A I E -A 16 0A 23 9,-3.3 9,-2.1 -2,-0.5 249,-0.1 -0.903 58.7 -1.7-102.2 143.8 21.6 11.9 1.9 8 8 A G S S- 0 0 7 -2,-0.4 2,-0.4 7,-0.2 251,-0.3 -0.019 99.2 -52.5 71.9 177.4 21.7 14.2 4.9 9 9 A A > - 0 0 13 249,-0.1 3,-0.7 1,-0.1 6,-0.3 -0.756 62.6-103.2 -87.1 139.9 24.1 14.2 7.9 10 10 A K T 3 S+ 0 0 65 249,-0.4 252,-2.6 -2,-0.4 3,-0.1 -0.315 105.6 30.0 -58.1 149.2 24.7 11.0 9.8 11 11 A N T 3 S+ 0 0 21 1,-0.3 2,-0.3 250,-0.2 -1,-0.2 0.795 102.1 103.2 64.3 33.4 22.8 10.8 13.2 12 12 A T S X S- 0 0 26 -3,-0.7 3,-1.1 250,-0.0 58,-0.3 -0.908 84.8-109.2-131.5 170.2 20.0 13.1 12.0 13 13 A L T 3 S+ 0 0 100 -2,-0.3 57,-0.1 1,-0.2 -3,-0.1 0.717 116.1 58.0 -66.8 -23.2 16.4 12.6 10.9 14 14 A E T 3 S+ 0 0 122 -5,-0.2 -1,-0.2 55,-0.1 2,-0.1 0.548 78.2 118.8 -85.5 -11.7 17.4 13.4 7.3 15 15 A Y < + 0 0 4 -3,-1.1 55,-0.5 -6,-0.3 2,-0.3 -0.379 31.5 159.7 -65.3 131.2 20.0 10.7 7.0 16 16 A K E -AB 7 69A 47 -9,-2.1 -9,-3.3 53,-0.1 2,-0.5 -0.979 23.2-158.2-146.4 141.7 19.3 8.1 4.3 17 17 A V E -AB 6 68A 4 51,-2.0 51,-2.9 -2,-0.3 2,-0.3 -0.989 11.3-169.7-123.9 122.7 21.7 5.7 2.6 18 18 A Y E -A 5 0A 15 -13,-2.6 -13,-2.3 -2,-0.5 2,-0.4 -0.813 22.5-124.2-102.9 147.7 20.8 4.3 -0.8 19 19 A I E -AC 4 26A 0 7,-0.6 7,-2.7 -2,-0.3 2,-0.4 -0.811 27.0-157.0 -86.9 133.7 22.7 1.5 -2.6 20 20 A E E -AC 3 25A 27 -17,-2.2 -17,-2.0 -2,-0.4 2,-0.5 -0.916 9.1-156.6-106.1 141.8 23.9 2.4 -6.1 21 21 A K E > S-AC 2 24A 92 3,-2.7 3,-1.7 -2,-0.4 -19,-0.2 -0.987 86.3 -17.8-114.9 120.3 24.6 0.0 -8.9 22 22 A D T 3 S- 0 0 107 -21,-2.5 -1,-0.2 -2,-0.5 -20,-0.1 0.903 132.7 -49.6 45.4 48.1 27.1 1.6 -11.4 23 23 A G T 3 S+ 0 0 39 -22,-0.3 -1,-0.3 1,-0.2 -21,-0.1 0.308 117.5 105.8 84.7 -6.9 26.2 5.0 -10.0 24 24 A K E < S-C 21 0A 106 -3,-1.7 -3,-2.7 1,-0.0 -1,-0.2 -0.902 73.6-113.2-111.9 127.5 22.4 4.7 -10.1 25 25 A P E +C 20 0A 2 0, 0.0 2,-0.3 0, 0.0 -5,-0.3 -0.305 37.7 179.4 -57.3 138.5 20.3 4.2 -7.0 26 26 A V E -C 19 0A 4 -7,-2.7 -7,-0.6 39,-0.1 2,-0.5 -0.857 39.0 -81.0-128.9 168.7 18.5 0.9 -6.7 27 27 A S >> - 0 0 0 -2,-0.3 4,-1.7 1,-0.2 5,-0.5 -0.620 27.0-155.4 -73.7 123.6 16.2 -0.7 -4.0 28 28 A A T 45S+ 0 0 0 37,-1.7 -1,-0.2 -2,-0.5 38,-0.1 0.709 96.1 43.9 -68.0 -20.3 18.2 -2.2 -1.1 29 29 A F T 45S+ 0 0 0 36,-0.1 69,-2.8 68,-0.1 70,-0.2 0.898 129.3 17.5 -86.2 -48.0 15.2 -4.5 -0.5 30 30 A H T 45S+ 0 0 0 205,-0.2 -2,-0.2 67,-0.2 206,-0.1 0.730 118.7 52.3-104.5 -28.9 14.3 -5.7 -4.0 31 31 A D T <5S+ 0 0 5 -4,-1.7 -3,-0.2 34,-0.1 -1,-0.1 0.548 83.9 85.1 -98.5 -13.4 17.1 -5.0 -6.4 32 32 A I S S-E 42 0B 62 5,-2.3 5,-2.4 -3,-0.1 3,-0.5 -0.724 71.2-175.0-147.9 95.4 26.5 -17.6 -6.1 38 38 A K T > 5S+ 0 0 127 1,-0.2 3,-1.7 -3,-0.2 -1,-0.1 0.909 81.9 58.8 -61.0 -43.8 23.4 -19.7 -5.8 39 39 A E T 3 5S+ 0 0 89 1,-0.3 -1,-0.2 2,-0.1 -2,-0.0 0.848 116.3 33.8 -55.9 -38.1 25.1 -23.0 -6.5 40 40 A N T 3 5S- 0 0 109 -3,-0.5 -1,-0.3 2,-0.1 -2,-0.2 0.200 111.8-114.8-104.6 15.9 27.4 -22.6 -3.5 41 41 A N T < 5 + 0 0 34 -3,-1.7 2,-0.6 -4,-0.3 90,-0.6 0.854 57.2 159.2 50.5 41.3 24.9 -20.7 -1.3 42 42 A I E < -EF 37 130B 30 -5,-2.4 -6,-2.5 88,-0.1 -5,-2.3 -0.866 23.0-161.1 -92.1 121.3 26.9 -17.5 -1.3 43 43 A F E -EF 35 129B 0 86,-2.5 86,-2.6 -2,-0.6 2,-0.5 -0.651 20.4-125.0-103.6 149.7 24.6 -14.6 -0.3 44 44 A N E - F 0 128B 10 -10,-2.6 2,-0.4 -11,-0.3 84,-0.2 -0.876 28.9-160.7 -86.1 127.8 24.6 -10.9 -0.7 45 45 A M E - F 0 127B 0 82,-3.3 82,-2.1 -2,-0.5 2,-0.6 -0.936 10.2-145.8-107.4 130.7 24.1 -9.2 2.7 46 46 A V E -GF 95 126B 0 49,-2.8 49,-2.3 -2,-0.4 2,-0.4 -0.888 21.6-141.6 -90.7 118.2 23.0 -5.6 2.9 47 47 A V E +G 94 0B 0 78,-2.7 77,-3.2 -2,-0.6 47,-0.3 -0.688 29.4 168.0 -83.9 131.2 24.7 -4.2 6.0 48 48 A E E + 0 0 20 45,-2.4 46,-0.2 -2,-0.4 -1,-0.2 0.802 65.4 30.7-101.2 -47.4 22.7 -1.7 8.1 49 49 A I E S-G 93 0B 7 44,-2.8 44,-2.4 73,-0.1 -1,-0.3 -0.969 71.6-135.7-128.1 118.8 24.7 -1.3 11.3 50 50 A P > - 0 0 16 0, 0.0 3,-1.5 0, 0.0 39,-0.3 -0.463 41.7 -90.7 -67.4 141.7 28.5 -1.4 11.8 51 51 A R T 3 S+ 0 0 7 1,-0.2 39,-0.2 -2,-0.1 41,-0.1 -0.280 110.0 19.7 -51.3 136.6 29.8 -3.4 14.8 52 52 A W T 3 S+ 0 0 13 37,-3.2 -1,-0.2 35,-0.4 2,-0.2 0.539 96.8 113.8 74.3 17.5 30.3 -1.2 17.9 53 53 A T < - 0 0 50 -3,-1.5 36,-2.5 36,-0.2 -1,-0.3 -0.577 52.9-152.6-101.8 174.5 28.0 1.6 16.9 54 54 A N + 0 0 21 34,-0.2 26,-2.6 -2,-0.2 2,-0.1 0.635 55.2 109.2-120.1 -30.5 24.7 2.5 18.6 55 55 A A B -M 79 0C 8 24,-0.2 2,-1.2 1,-0.1 24,-0.2 -0.352 69.0-128.8 -61.5 129.4 22.4 4.2 16.0 56 56 A K + 0 0 52 22,-2.2 15,-3.0 15,-0.2 2,-0.3 -0.673 39.2 176.5 -83.1 97.1 19.5 1.8 15.1 57 57 A L E +D 70 0A 9 -2,-1.2 2,-0.3 13,-0.2 13,-0.2 -0.787 3.7 160.6-105.4 145.1 19.7 1.8 11.3 58 58 A E E -D 69 0A 48 11,-2.4 11,-2.4 -2,-0.3 2,-0.2 -0.983 46.7 -92.8-160.6 151.1 17.5 -0.2 9.0 59 59 A I E -D 68 0A 7 -2,-0.3 2,-0.6 9,-0.3 9,-0.3 -0.478 45.5-135.2 -55.9 127.9 16.2 -0.6 5.5 60 60 A T - 0 0 16 7,-2.5 3,-0.5 -2,-0.2 -31,-0.1 -0.820 13.6-162.7 -94.6 123.6 12.9 1.2 5.5 61 61 A K S S+ 0 0 36 -2,-0.6 172,-3.2 1,-0.2 -1,-0.1 0.760 84.9 57.6 -71.1 -23.5 10.2 -0.7 3.7 62 62 A E S S+ 0 0 136 170,-0.2 2,-0.3 2,-0.1 -1,-0.2 0.535 90.4 75.8 -95.7 -6.0 7.9 2.3 3.3 63 63 A E S > S- 0 0 48 -3,-0.5 3,-2.5 4,-0.2 170,-0.1 -0.824 93.7 -90.8-107.0 147.7 10.2 4.7 1.3 64 64 A T T 3 S+ 0 0 59 -2,-0.3 -2,-0.1 1,-0.3 172,-0.1 -0.288 112.3 8.8 -63.2 130.3 10.9 4.4 -2.4 65 65 A L T 3 S- 0 0 0 170,-0.4 -37,-1.7 1,-0.2 -46,-0.3 0.462 109.8-106.8 70.0 9.6 14.0 2.3 -3.1 66 66 A N < - 0 0 0 -3,-2.5 -1,-0.2 -39,-0.2 -2,-0.1 0.828 46.6-166.4 48.4 56.0 14.1 1.3 0.6 67 67 A P - 0 0 0 0, 0.0 -7,-2.5 0, 0.0 2,-0.5 -0.146 27.9-103.3 -64.6 159.8 17.1 3.4 1.8 68 68 A I E +BD 17 59A 0 -51,-2.9 -51,-2.0 -9,-0.3 -9,-0.3 -0.804 52.5 166.2 -85.6 129.9 18.7 2.7 5.2 69 69 A I E -BD 16 58A 29 -11,-2.4 -11,-2.4 -2,-0.5 2,-0.4 -0.840 40.6 -87.7-135.2 171.2 17.6 5.3 7.7 70 70 A Q E - D 0 57A 7 -55,-0.5 -13,-0.2 -58,-0.3 9,-0.1 -0.713 44.3-116.0 -87.1 135.2 17.6 5.7 11.5 71 71 A D - 0 0 40 -15,-3.0 7,-2.6 -2,-0.4 2,-0.3 -0.298 35.1-166.0 -64.0 145.7 14.7 4.3 13.4 72 72 A T E -N 77 0D 65 5,-0.2 2,-0.4 -59,-0.0 5,-0.2 -0.942 15.8-161.0-131.8 154.5 12.6 6.8 15.3 73 73 A K E > S-N 76 0D 105 3,-1.9 3,-1.7 -2,-0.3 -2,-0.0 -0.954 81.2 -17.3-137.8 123.6 9.9 6.7 18.0 74 74 A K T 3 S- 0 0 186 -2,-0.4 3,-0.1 1,-0.3 -1,-0.0 0.884 130.6 -50.5 49.2 44.0 7.6 9.6 18.5 75 75 A G T 3 S+ 0 0 49 1,-0.2 2,-0.4 -62,-0.0 -1,-0.3 0.400 113.4 113.8 85.8 -0.4 10.0 11.8 16.6 76 76 A K E < S-N 73 0D 151 -3,-1.7 -3,-1.9 -63,-0.0 -1,-0.2 -0.858 70.2-112.4-108.5 137.7 13.2 10.9 18.4 77 77 A L E -N 72 0D 46 -2,-0.4 2,-0.4 -5,-0.2 -5,-0.2 -0.406 34.0-131.9 -64.5 141.2 16.2 9.1 16.9 78 78 A R + 0 0 44 -7,-2.6 -22,-2.2 -22,-0.2 2,-0.3 -0.795 27.1 174.4-103.0 137.3 16.7 5.6 18.4 79 79 A F B -M 55 0C 30 -2,-0.4 2,-0.4 -24,-0.2 -24,-0.2 -0.962 31.7-121.5-130.4 148.7 20.0 4.2 19.6 80 80 A V - 0 0 5 -26,-2.6 2,-0.2 -2,-0.3 9,-0.1 -0.739 35.6-127.1 -82.7 139.3 20.8 0.9 21.4 81 81 A R - 0 0 46 103,-0.5 2,-0.5 -2,-0.4 190,-0.1 -0.499 25.4 -96.6 -84.0 162.9 22.4 1.6 24.7 82 82 A N E -o 271 0E 1 188,-0.9 190,-3.0 186,-0.4 2,-0.6 -0.680 38.3-165.0 -83.7 122.8 25.7 0.1 25.8 83 83 A C E > -o 272 0E 1 -2,-0.5 3,-2.7 5,-0.2 190,-0.2 -0.942 38.8 -80.7-117.0 104.5 25.0 -3.0 28.0 84 84 A F T 3 S+ 0 0 30 188,-2.7 190,-0.3 -2,-0.6 3,-0.1 -0.186 115.4 16.3 -52.7 135.0 28.0 -4.2 29.9 85 85 A P T 3 S+ 0 0 26 0, 0.0 -1,-0.4 0, 0.0 2,-0.2 -0.937 116.5 80.9 -91.3 14.5 30.2 -5.8 28.8 86 86 A H < - 0 0 2 -3,-2.7 2,-0.6 275,-0.1 -3,-0.1 -0.499 63.0-144.5 -86.4 150.8 29.0 -5.0 25.3 87 87 A H - 0 0 23 -2,-0.2 -35,-0.4 -5,-0.2 -5,-0.1 -0.952 60.6 -63.1-112.9 102.9 29.7 -1.9 23.2 88 88 A G S S+ 0 0 1 -2,-0.6 2,-0.4 -36,-0.1 -5,-0.2 -0.177 115.1 2.1 59.2-138.9 26.7 -1.0 21.1 89 89 A Y - 0 0 11 -36,-2.5 -37,-3.2 -39,-0.3 -36,-0.2 -0.681 66.4-152.3 -80.7 130.7 25.9 -3.6 18.5 90 90 A I S S+ 0 0 2 -2,-0.4 2,-0.3 -39,-0.2 -1,-0.1 0.407 73.0 35.6 -93.4 5.2 28.2 -6.6 18.8 91 91 A H S S- 0 0 5 -41,-0.1 2,-0.7 -42,-0.1 -39,-0.2 -0.901 96.0 -90.9-132.2 170.8 28.1 -7.8 15.2 92 92 A N E - H 0 115B 0 23,-1.9 23,-2.9 -2,-0.3 2,-0.4 -0.814 56.1-153.4 -73.8 114.5 27.8 -6.2 11.8 93 93 A F E +GH 49 114B 20 -44,-2.4 -44,-2.8 -2,-0.7 -45,-2.4 -0.823 34.0 117.3-101.0 135.7 24.0 -6.2 11.6 94 94 A G E -GH 47 113B 2 19,-2.5 19,-2.2 -2,-0.4 2,-0.3 -0.767 45.2-105.3-162.5-150.5 22.1 -6.3 8.4 95 95 A A E -GH 46 112B 1 -49,-2.3 -49,-2.8 17,-0.3 17,-0.2 -0.967 25.6-105.7-150.3 161.4 19.6 -8.3 6.2 96 96 A F > - 0 0 0 15,-1.7 3,-0.5 -2,-0.3 15,-0.3 -0.849 40.4-130.4 -92.3 126.3 19.4 -10.5 3.1 97 97 A P T 3 S+ 0 0 1 0, 0.0 -67,-0.2 0, 0.0 -68,-0.1 -0.323 88.7 35.5 -69.0 161.5 17.7 -8.6 0.3 98 98 A Q T 3 S+ 0 0 21 -69,-2.8 2,-0.3 1,-0.3 120,-0.2 0.851 97.7 108.5 60.6 32.9 14.9 -10.3 -1.6 99 99 A T < + 0 0 0 -3,-0.5 2,-0.3 -70,-0.2 -1,-0.3 -0.967 40.7 176.1-133.8 154.7 13.7 -11.9 1.6 100 100 A W - 0 0 0 114,-1.3 2,-1.3 -2,-0.3 117,-0.2 -0.905 30.9-135.7-160.3 125.7 10.6 -11.2 3.7 101 101 A E - 0 0 8 8,-2.1 7,-2.0 -2,-0.3 8,-0.1 -0.753 33.8-141.4 -83.8 95.2 9.1 -12.9 6.8 102 102 A D - 0 0 27 -2,-1.3 5,-0.1 1,-0.2 -2,-0.0 -0.467 5.0-151.2 -64.3 117.8 5.5 -12.9 5.6 103 103 A P 0 0 55 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.344 360.0 360.0 -77.4 8.3 3.4 -12.1 8.7 104 104 A N 0 0 117 124,-0.1 -2,-0.1 0, 0.0 123,-0.1 -0.759 360.0 360.0-101.0 360.0 0.4 -14.1 7.3 105 ! 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 0.0 106 114 A G 0 0 43 0, 0.0 38,-0.1 0, 0.0 -4,-0.1 0.000 360.0 360.0 360.0 145.1 6.7 -13.8 10.3 107 115 A D - 0 0 15 36,-0.6 -5,-0.1 2,-0.2 37,-0.1 0.326 360.0-117.1 -91.5 10.0 8.2 -10.5 11.6 108 116 A N S S+ 0 0 51 -7,-2.0 -6,-0.1 1,-0.2 -1,-0.0 0.690 80.4 92.2 68.2 21.1 7.4 -8.5 8.5 109 117 A D S S- 0 0 42 -8,-0.1 -8,-2.1 -48,-0.0 -1,-0.2 -0.932 87.1 -81.7-134.6 164.6 11.0 -7.7 7.5 110 118 A P S S- 0 0 5 0, 0.0 -10,-0.2 0, 0.0 105,-0.0 -0.323 70.3 -84.1 -52.9 146.9 13.9 -9.1 5.4 111 119 A I - 0 0 0 -15,-0.3 -15,-1.7 100,-0.1 2,-0.2 -0.349 50.2-115.9 -65.6 136.6 15.5 -11.9 7.3 112 120 A D E -Hi 95 146B 33 33,-0.9 35,-3.2 -17,-0.2 2,-0.4 -0.541 27.9-163.2 -79.6 143.9 18.2 -10.6 9.8 113 121 A V E -Hi 94 147B 0 -19,-2.2 -19,-2.5 33,-0.2 2,-0.6 -0.986 11.0-160.1-131.0 131.2 21.8 -11.4 9.5 114 122 A L E -Hi 93 148B 1 33,-3.3 35,-2.6 -2,-0.4 2,-0.6 -0.980 14.2-157.8-108.5 115.2 24.6 -11.2 12.0 115 123 A E E -Hi 92 149B 1 -23,-2.9 -23,-1.9 -2,-0.6 35,-0.2 -0.883 7.6-171.3-104.1 124.4 28.0 -11.1 10.3 116 124 A I + 0 0 14 33,-2.3 34,-0.1 -2,-0.6 -1,-0.1 0.318 36.5 125.4-101.9 3.4 30.8 -12.2 12.6 117 125 A G - 0 0 2 32,-0.2 -25,-0.1 2,-0.1 -2,-0.0 -0.004 70.0-106.4 -67.1 168.5 34.0 -11.4 10.6 118 126 A E S S+ 0 0 41 33,-0.1 2,-0.3 435,-0.1 -1,-0.1 0.838 91.7 83.0 -66.9 -35.2 36.9 -9.3 11.8 119 127 A T S S- 0 0 44 1,-0.1 2,-0.4 434,-0.1 -68,-0.1 -0.523 79.3-124.8 -81.6 134.8 36.3 -6.2 9.7 120 128 A I - 0 0 40 -2,-0.3 -1,-0.1 429,-0.2 -2,-0.1 -0.618 32.8-139.8 -72.7 128.1 33.8 -3.6 10.7 121 129 A A - 0 0 8 -2,-0.4 2,-0.3 -72,-0.2 -1,-0.1 -0.146 6.6-123.3 -82.6 177.0 31.3 -3.1 7.9 122 130 A Y > - 0 0 113 -73,-0.1 3,-2.2 -72,-0.1 -75,-0.2 -0.931 32.9 -92.7-126.6 148.6 29.8 0.2 6.6 123 131 A T T 3 S+ 0 0 12 -2,-0.3 -75,-0.2 1,-0.3 3,-0.1 -0.416 113.2 17.6 -62.2 127.7 26.1 1.1 6.3 124 132 A G T 3 S+ 0 0 2 -77,-3.2 -1,-0.3 1,-0.3 -76,-0.1 0.377 89.9 147.3 90.0 -0.5 24.8 0.2 2.8 125 133 A Q < - 0 0 32 -3,-2.2 -78,-2.7 -78,-0.3 2,-0.6 -0.404 39.7-149.6 -64.4 139.1 27.7 -2.2 2.1 126 134 A V E +F 46 0B 18 -80,-0.2 2,-0.3 -124,-0.1 -80,-0.2 -0.971 27.4 172.2-105.5 111.5 26.8 -5.2 -0.0 127 135 A K E -F 45 0B 4 -82,-2.1 -82,-3.3 -2,-0.6 2,-0.5 -0.863 33.1-118.6-119.6 160.2 29.1 -8.0 1.1 128 136 A Q E +F 44 0B 56 -2,-0.3 24,-2.5 -84,-0.2 25,-0.4 -0.878 40.7 174.7-100.1 125.6 29.2 -11.6 0.1 129 137 A V E -FJ 43 151B 0 -86,-2.6 -86,-2.5 -2,-0.5 2,-0.4 -0.904 28.4-135.5-130.8 158.8 28.6 -14.1 3.0 130 138 A K E -FJ 42 150B 34 20,-2.5 20,-1.9 -2,-0.3 2,-0.3 -0.919 29.0-120.8-110.1 143.1 28.2 -17.7 3.9 131 139 A A E + J 0 149B 1 -90,-0.6 18,-0.2 -2,-0.4 3,-0.1 -0.613 30.2 173.0 -84.1 135.1 25.5 -18.9 6.3 132 140 A L E - 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J 0 139B 75 -3,-1.7 -3,-2.7 -35,-0.1 2,-0.8 -0.881 64.7-135.8-105.6 136.4 6.7 -13.3 15.9 143 151 A T E - J 0 138B 46 -2,-0.4 2,-0.9 -5,-0.2 -36,-0.6 -0.842 21.0-169.6 -92.0 110.8 9.6 -15.5 14.9 144 152 A D E - J 0 137B 17 -7,-3.0 -7,-2.2 -2,-0.8 2,-0.1 -0.808 11.2-156.5-107.1 89.6 12.5 -13.2 14.5 145 153 A W E - J 0 136B 33 -2,-0.9 -33,-0.9 -9,-0.2 2,-0.5 -0.372 6.8-158.1 -69.8 144.3 15.2 -15.3 12.9 146 154 A K E -iJ 112 135B 13 -11,-3.2 -11,-2.5 -35,-0.1 2,-0.4 -0.940 8.0-153.3-125.0 105.1 18.9 -14.3 13.2 147 155 A V E -iJ 113 134B 0 -35,-3.2 -33,-3.3 -2,-0.5 2,-0.5 -0.666 8.1-144.5 -77.6 130.4 21.2 -15.8 10.6 148 156 A I E +iJ 114 133B 3 -15,-2.7 -16,-3.3 -2,-0.4 -15,-1.4 -0.866 35.5 160.7 -95.2 124.2 24.8 -16.2 11.7 149 157 A A E -iJ 115 131B 0 -35,-2.6 -33,-2.3 -2,-0.5 2,-0.4 -0.902 29.9-144.1-141.5 162.3 27.1 -15.5 8.7 150 158 A I E - J 0 130B 0 -20,-1.9 -20,-2.5 -2,-0.3 2,-0.1 -1.000 30.3-107.3-136.8 139.9 30.6 -14.6 7.8 151 159 A D E > - J 0 129B 18 -2,-0.4 3,-1.8 -22,-0.2 -22,-0.3 -0.362 27.2-135.6 -52.2 126.2 32.1 -12.5 5.0 152 160 A I T 3 S+ 0 0 65 -24,-2.5 -1,-0.1 1,-0.3 -23,-0.1 0.680 104.2 60.1 -63.0 -18.3 33.7 -14.9 2.4 153 161 A N T 3 S+ 0 0 120 -25,-0.4 -1,-0.3 4,-0.1 -2,-0.1 0.455 77.7 115.8 -86.1 -5.2 36.7 -12.6 2.3 154 162 A D S X S- 0 0 13 -3,-1.8 3,-1.6 1,-0.1 -4,-0.0 -0.410 76.8-122.9 -62.5 138.4 37.4 -13.0 6.0 155 163 A P T 3 S+ 0 0 94 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.824 112.9 45.3 -48.3 -36.0 40.8 -14.7 6.7 156 164 A L T >> S+ 0 0 45 1,-0.2 3,-1.6 2,-0.1 4,-0.6 0.497 81.8 101.6 -86.4 -8.0 39.0 -17.4 8.6 157 165 A A G X4 S+ 0 0 4 -3,-1.6 3,-1.5 1,-0.3 -1,-0.2 0.845 76.9 55.7 -51.7 -43.4 36.1 -18.0 6.1 158 166 A P G 34 S+ 0 0 114 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.779 108.3 50.4 -59.7 -28.0 37.6 -21.2 4.6 159 167 A K G <4 S+ 0 0 127 -3,-1.6 2,-0.6 -4,-0.1 -2,-0.2 0.506 100.5 73.8 -86.9 -8.3 37.8 -22.8 8.1 160 168 A L << + 0 0 0 -3,-1.5 3,-0.1 -4,-0.6 -10,-0.1 -0.938 42.8 135.6-111.3 118.3 34.1 -21.9 9.0 161 169 A N + 0 0 81 -2,-0.6 2,-0.3 1,-0.3 -1,-0.1 0.593 66.9 22.2-126.5 -26.8 31.4 -24.0 7.4 162 170 A D S >> S- 0 0 37 41,-0.1 3,-1.6 42,-0.1 4,-0.6 -0.871 87.0 -90.5-142.2 173.9 28.9 -24.8 10.1 163 171 A I H >> S+ 0 0 13 -31,-0.8 4,-1.1 1,-0.3 3,-0.9 0.793 117.0 63.5 -63.9 -29.1 27.7 -23.5 13.5 164 172 A E H 3> S+ 0 0 100 1,-0.3 4,-1.3 2,-0.2 -1,-0.3 0.795 95.5 62.3 -64.5 -27.7 30.1 -25.7 15.5 165 173 A D H <> S+ 0 0 45 -3,-1.6 4,-2.5 2,-0.2 5,-0.3 0.826 95.2 59.4 -67.4 -31.1 33.0 -23.8 13.9 166 174 A V H < S- 0 0 14 -4,-2.3 3,-2.2 -5,-0.3 4,-0.5 -0.436 80.6-171.4-130.4 56.4 34.8 -17.5 18.2 171 179 A P T 3 S+ 0 0 38 0, 0.0 387,-0.2 0, 0.0 -4,-0.1 -0.274 73.3 14.5 -62.0 131.9 34.3 -19.1 21.7 172 180 A G T 3> S+ 0 0 38 384,-0.1 4,-2.4 -5,-0.0 5,-0.2 0.173 94.6 106.3 89.5 -15.6 31.8 -17.2 23.7 173 181 A L H <> S+ 0 0 4 -3,-2.2 4,-2.1 -7,-0.2 5,-0.1 0.890 80.6 49.5 -59.6 -41.5 30.4 -15.2 20.8 174 182 A L H > S+ 0 0 30 -4,-0.5 4,-2.3 2,-0.2 -1,-0.2 0.925 111.9 48.5 -64.8 -39.8 27.2 -17.3 20.7 175 183 A R H > S+ 0 0 185 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.898 110.8 50.6 -65.6 -40.4 26.7 -16.8 24.4 176 184 A A H X S+ 0 0 7 -4,-2.4 4,-3.0 1,-0.2 -1,-0.2 0.868 109.3 52.1 -63.9 -37.8 27.3 -13.1 24.0 177 185 A T H X S+ 0 0 2 -4,-2.1 4,-2.3 2,-0.2 5,-0.2 0.907 109.9 48.2 -64.1 -44.4 24.7 -13.1 21.2 178 186 A N H X S+ 0 0 18 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.964 116.2 43.5 -59.1 -51.3 22.2 -14.8 23.5 179 187 A E H X S+ 0 0 76 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.921 112.6 52.0 -60.7 -46.8 22.9 -12.4 26.3 180 188 A W H X S+ 0 0 1 -4,-3.0 4,-2.4 1,-0.2 -1,-0.2 0.931 111.3 45.5 -61.1 -49.6 22.9 -9.3 24.1 181 189 A F H < S+ 0 0 1 -4,-2.3 12,-0.3 1,-0.2 -1,-0.2 0.823 112.6 53.1 -64.3 -30.8 19.5 -10.0 22.5 182 190 A R H < S+ 0 0 93 -4,-1.7 11,-1.9 -5,-0.2 -1,-0.2 0.908 123.5 23.7 -69.0 -41.5 18.0 -10.9 25.9 183 191 A I H >< S+ 0 0 19 -4,-2.2 3,-2.1 9,-0.2 -2,-0.2 0.566 88.5 98.5-104.4 -11.9 19.1 -7.6 27.6 184 192 A Y T 3< S+ 0 0 30 -4,-2.4 -103,-0.5 1,-0.3 -1,-0.1 0.660 89.4 44.8 -65.0 -17.9 19.5 -4.9 24.9 185 193 A K T > >S+ 0 0 45 -4,-0.2 5,-1.6 6,-0.2 3,-1.1 0.473 87.0 91.3 -98.9 -3.5 16.1 -3.4 25.4 186 194 A I G X 5S+ 0 0 57 -3,-2.1 3,-1.9 1,-0.3 -2,-0.2 0.907 84.2 53.5 -60.7 -41.5 16.2 -3.4 29.2 187 195 A P G 3 5S+ 0 0 30 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.697 103.9 58.5 -63.7 -18.1 17.7 0.2 29.3 188 196 A D G < 5S- 0 0 46 -3,-1.1 -2,-0.2 2,-0.1 -3,-0.1 0.402 125.1-103.3 -87.1 -0.1 14.8 1.3 27.2 189 197 A G T < 5S+ 0 0 74 -3,-1.9 -3,-0.2 1,-0.3 -4,-0.0 0.797 81.8 124.0 81.6 31.0 12.3 0.1 29.8 190 198 A K < - 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0 0 72 -5,-2.0 -1,-0.3 1,-0.1 -2,-0.1 -0.668 61.2 -99.8-104.2 160.9 53.5 -11.2 25.1 474 199 B P - 0 0 98 0, 0.0 -6,-0.2 0, 0.0 -51,-0.1 -0.230 45.8 -84.0 -70.1 167.7 52.7 -13.4 28.1 475 200 B E - 0 0 61 1,-0.1 -9,-0.2 -7,-0.1 -10,-0.1 -0.423 47.4-127.9 -58.4 143.1 49.7 -13.0 30.4 476 201 B N - 0 0 12 -11,-2.4 2,-0.3 -12,-0.2 -54,-0.2 -0.356 21.5-142.6 -85.6 177.3 50.2 -10.4 33.2 477 202 B Q E -H 421 0M 142 -56,-1.7 -56,-3.2 -2,-0.1 2,-0.4 -0.909 3.1-143.0-138.0 164.1 49.7 -11.1 36.9 478 203 B F E > -H 420 0M 28 -2,-0.3 3,-0.5 -58,-0.2 -58,-0.2 -0.987 15.4-128.2-129.3 141.7 48.3 -9.3 39.9 479 204 B A G > S+ 0 0 20 -60,-2.6 3,-1.6 -2,-0.4 -60,-0.4 -0.366 95.3 36.0 -68.9 165.4 49.4 -9.4 43.6 480 205 B F G > S- 0 0 72 1,-0.3 3,-2.2 -96,-0.2 -1,-0.2 0.786 131.5 -76.4 58.3 30.1 46.6 -10.1 46.1 481 206 B S G < S- 0 0 127 -3,-0.5 -1,-0.3 1,-0.3 -2,-0.1 0.818 91.2 -55.5 46.2 38.6 45.0 -12.5 43.6 482 207 B G G < S+ 0 0 11 -3,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.487 90.4 164.2 77.4 7.9 43.7 -9.5 41.8 483 208 B E < - 0 0 101 -3,-2.2 2,-0.9 -4,-0.2 -64,-0.5 -0.263 39.9-128.9 -55.4 134.7 41.9 -8.0 44.8 484 209 B A E -B 418 0H 17 -66,-0.1 -66,-0.2 -68,-0.1 -1,-0.1 -0.820 27.8-146.5 -84.6 106.5 40.9 -4.3 44.4 485 210 B K E -B 417 0H 47 -68,-2.6 -68,-2.0 -2,-0.9 -70,-0.0 -0.309 24.7 -97.5 -68.4 159.4 42.3 -2.8 47.6 486 211 B N > - 0 0 41 -70,-0.2 4,-2.6 -41,-0.1 -70,-0.2 0.056 33.4 -90.0 -80.1-178.8 40.3 0.1 49.1 487 212 B K H > S+ 0 0 51 -72,-0.5 4,-2.7 1,-0.2 5,-0.2 0.910 124.3 54.6 -58.3 -45.6 40.5 3.9 49.0 488 213 B K H > S+ 0 0 151 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.923 110.2 47.6 -58.2 -42.7 42.7 4.1 52.0 489 214 B Y H > S+ 0 0 63 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.930 110.9 51.9 -61.1 -45.3 45.2 1.7 50.3 490 215 B A H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.923 107.6 50.7 -58.7 -45.8 45.0 3.7 47.0 491 216 B L H X S+ 0 0 41 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.888 108.6 53.9 -61.7 -36.8 45.8 7.0 48.8 492 217 B D H X S+ 0 0 105 -4,-1.8 4,-1.9 -5,-0.2 -1,-0.2 0.925 112.8 42.0 -62.1 -46.6 48.8 5.3 50.5 493 218 B I H X S+ 0 0 1 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.871 111.5 54.6 -72.4 -37.9 50.3 4.2 47.2 494 219 B I H X S+ 0 0 0 -4,-2.7 4,-2.4 -5,-0.2 -2,-0.2 0.949 108.2 50.9 -58.6 -45.7 49.5 7.4 45.4 495 220 B K H X S+ 0 0 112 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.919 108.2 52.4 -54.4 -49.7 51.4 9.2 48.1 496 221 B E H X S+ 0 0 47 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.929 111.4 45.7 -53.2 -48.6 54.4 6.8 47.6 497 222 B T H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 -122,-1.0 0.861 111.3 52.5 -70.3 -28.0 54.4 7.6 43.9 498 223 B H H X S+ 0 0 35 -4,-2.4 4,-2.3 -124,-0.2 -1,-0.2 0.916 109.0 50.1 -68.6 -42.0 54.1 11.3 44.5 499 224 B D H X S+ 0 0 59 -4,-2.6 4,-1.6 2,-0.2 -2,-0.2 0.876 108.4 52.5 -63.1 -38.1 57.1 11.1 46.8 500 225 B S H X S+ 0 0 17 -4,-2.1 4,-2.2 -125,-0.2 -1,-0.2 0.903 110.0 49.5 -62.2 -42.4 59.1 9.2 44.2 501 226 B W H X S+ 0 0 12 -4,-1.9 4,-3.1 -128,-0.2 5,-0.3 0.892 104.6 57.3 -63.6 -40.6 58.3 12.0 41.8 502 227 B K H X S+ 0 0 112 -4,-2.3 4,-1.1 1,-0.2 -1,-0.2 0.897 109.8 45.8 -57.5 -39.3 59.4 14.8 44.2 503 228 B Q H <>S+ 0 0 91 -4,-1.6 5,-2.6 2,-0.2 6,-0.5 0.910 113.9 49.9 -67.7 -43.5 62.8 13.1 44.4 504 229 B L H ><5S+ 0 0 1 -4,-2.2 3,-1.6 1,-0.2 5,-0.3 0.938 110.8 46.5 -60.4 -50.9 62.9 12.8 40.6 505 230 B I H 3<5S+ 0 0 8 -4,-3.1 22,-0.4 1,-0.3 -1,-0.2 0.727 106.5 59.8 -71.2 -21.7 61.9 16.4 39.8 506 231 B A T 3<5S- 0 0 42 -4,-1.1 -1,-0.3 -5,-0.3 -2,-0.2 0.505 117.6-113.9 -76.6 -7.4 64.5 17.6 42.4 507 232 B G T < 5S+ 0 0 50 -3,-1.6 -3,-0.2 -4,-0.3 -2,-0.1 0.678 86.6 116.4 79.3 22.4 67.2 15.9 40.3 508 233 B K < + 0 0 155 -5,-2.6 -4,-0.2 -6,-0.2 2,-0.2 0.315 31.9 117.6-110.9 4.3 67.8 13.4 43.2 509 234 B S - 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