==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 24-OCT-96 1WGJ . COMPND 2 MOLECULE: INORGANIC PYROPHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR P.HEIKINHEIMO,J.LEHTONEN,A.GOLDMAN . 564 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23025.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 384 68.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 5.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 126 22.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.7 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 . 54 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 72 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 73 12.9 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 1 1 0 0 0 2 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 2 2 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 . 3 12 7 2 2 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 ANTIPARALLEL BRIDGES PER LADDER . 6 0 2 0 2 0 2 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 T 0 0 127 0, 0.0 21,-2.9 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 138.4 35.7 -30.3 -22.8 2 2 A Y E +A 21 0A 54 19,-0.2 2,-0.2 132,-0.1 19,-0.2 -0.824 360.0 168.1-101.3 134.2 36.4 -29.3 -26.4 3 3 A T E -A 20 0A 58 17,-2.2 17,-2.8 -2,-0.4 2,-0.3 -0.723 28.8-114.3-131.5 178.0 35.1 -31.4 -29.3 4 4 A T E -A 19 0A 54 -2,-0.2 2,-0.5 15,-0.2 15,-0.2 -0.908 11.3-155.3-119.5 151.4 34.8 -30.9 -33.0 5 5 A R E -A 18 0A 39 13,-2.8 13,-3.1 -2,-0.3 2,-0.4 -0.981 17.0-158.3-124.4 114.0 31.8 -30.5 -35.2 6 6 A Q E -A 17 0A 29 -2,-0.5 259,-3.0 11,-0.2 2,-0.5 -0.809 7.8-167.6 -99.0 136.1 32.4 -31.5 -38.8 7 7 A I E -Ab 16 265A 25 9,-2.8 9,-1.8 -2,-0.4 259,-0.2 -0.980 57.9 -16.4-118.0 127.6 30.3 -30.3 -41.7 8 8 A G E S- b 0 266A 12 257,-0.9 259,-1.3 -2,-0.5 2,-0.3 -0.057 94.9 -44.3 76.2-175.3 30.8 -32.1 -45.0 9 9 A A E > - b 0 267A 13 257,-0.2 3,-0.7 1,-0.1 6,-0.3 -0.696 59.6-103.9 -96.0 146.9 33.6 -34.3 -46.4 10 10 A K T 3 S+ 0 0 61 257,-0.5 260,-3.0 -2,-0.3 3,-0.1 -0.405 104.2 30.7 -68.3 145.2 37.3 -33.7 -46.0 11 11 A N T 3 S+ 0 0 15 1,-0.3 2,-0.3 258,-0.2 -1,-0.2 0.771 99.2 105.4 77.4 27.3 39.0 -32.3 -49.1 12 12 A T S X S- 0 0 24 -3,-0.7 3,-1.1 258,-0.1 -1,-0.3 -0.903 81.3-114.3-130.4 164.6 36.0 -30.5 -50.4 13 13 A L T 3 S+ 0 0 105 -2,-0.3 57,-0.1 1,-0.2 -3,-0.0 0.720 114.2 57.5 -71.9 -20.0 35.0 -26.9 -50.5 14 14 A E T 3 S+ 0 0 123 -5,-0.1 -1,-0.2 55,-0.1 2,-0.2 0.504 77.7 121.2 -89.1 -6.1 32.2 -27.5 -48.1 15 15 A Y < + 0 0 4 -3,-1.1 55,-0.5 -6,-0.3 2,-0.3 -0.400 32.1 163.4 -63.0 129.8 34.4 -28.9 -45.4 16 16 A K E -A 7 0A 50 -9,-1.8 -9,-2.8 -2,-0.2 2,-0.5 -0.987 22.2-160.5-146.7 139.7 34.2 -27.0 -42.1 17 17 A V E -AC 6 68A 4 51,-1.8 51,-2.6 -2,-0.3 2,-0.4 -0.984 10.1-166.2-124.8 115.7 35.3 -28.0 -38.6 18 18 A Y E -A 5 0A 15 -13,-3.1 -13,-2.8 -2,-0.5 2,-0.4 -0.808 18.1-131.0 -99.8 143.1 33.8 -26.1 -35.7 19 19 A I E -AD 4 26A 1 7,-0.6 7,-2.5 -2,-0.4 2,-0.4 -0.818 23.7-154.7 -93.6 134.2 35.3 -26.4 -32.2 20 20 A E E -AD 3 25A 25 -17,-2.8 -17,-2.2 -2,-0.4 2,-0.6 -0.914 11.3-154.4-112.0 139.6 32.7 -27.0 -29.5 21 21 A K E > S-AD 2 24A 82 3,-3.5 3,-1.8 -2,-0.4 -19,-0.2 -0.977 88.3 -20.3-112.1 108.9 33.0 -26.2 -25.8 22 22 A D T 3 S- 0 0 116 -21,-2.9 -1,-0.2 -2,-0.6 -20,-0.1 0.929 131.8 -46.8 55.5 52.2 30.7 -28.6 -23.9 23 23 A G T 3 S+ 0 0 46 -22,-0.3 -1,-0.3 1,-0.2 -21,-0.1 0.425 119.6 107.9 73.3 -1.5 28.7 -29.4 -27.1 24 24 A K E < S-D 21 0A 41 -3,-1.8 -3,-3.5 -21,-0.0 -1,-0.2 -0.917 73.6-115.4-114.1 131.4 28.3 -25.7 -28.0 25 25 A P E -D 20 0A 5 0, 0.0 2,-0.3 0, 0.0 -5,-0.3 -0.397 37.6-179.6 -62.7 134.4 30.2 -24.1 -31.0 26 26 A V E -D 19 0A 9 -7,-2.5 -7,-0.6 39,-0.1 2,-0.5 -0.850 39.2 -85.9-129.1 162.1 32.7 -21.4 -30.0 27 27 A S >> - 0 0 0 -2,-0.3 4,-2.1 1,-0.2 5,-0.5 -0.633 28.7-153.1 -72.1 122.0 35.0 -19.2 -32.0 28 28 A A T 45S+ 0 0 2 37,-1.7 -1,-0.2 -2,-0.5 38,-0.1 0.685 96.4 44.0 -67.5 -17.0 38.3 -21.1 -32.6 29 29 A F T 45S+ 0 0 0 68,-0.1 69,-2.7 31,-0.1 70,-0.2 0.882 129.2 17.7 -92.8 -46.5 40.0 -17.7 -32.9 30 30 A H T 45S+ 0 0 0 213,-0.2 -2,-0.2 67,-0.2 214,-0.1 0.726 116.9 53.3-104.0 -26.2 38.5 -15.8 -30.0 31 31 A D T <5S+ 0 0 8 -4,-2.1 -3,-0.1 34,-0.1 -1,-0.1 0.531 84.9 84.6 -94.1 -6.1 36.8 -18.0 -27.4 32 32 A I S >>S-F 42 0B 61 5,-2.2 5,-2.1 1,-0.1 3,-0.8 -0.748 75.2-167.7-151.1 92.9 48.2 -22.6 -17.1 38 38 A K G >45S+ 0 0 101 1,-0.2 3,-1.7 -2,-0.2 -1,-0.1 0.909 83.5 44.7 -51.7 -56.6 49.6 -19.1 -17.4 39 39 A E G 345S+ 0 0 143 1,-0.3 -1,-0.2 2,-0.1 -4,-0.0 0.639 115.8 47.8 -69.3 -15.8 52.3 -19.2 -14.7 40 40 A N G <45S- 0 0 111 -3,-0.8 -1,-0.3 2,-0.1 -2,-0.2 0.364 112.6-120.7-101.1 3.0 53.6 -22.6 -15.8 41 41 A N T <<5 + 0 0 44 -3,-1.7 98,-0.7 -4,-0.5 2,-0.5 0.917 58.6 150.4 59.0 48.8 53.6 -21.4 -19.5 42 42 A I E < -FG 37 138B 35 -5,-2.1 -6,-2.3 96,-0.2 -5,-2.2 -0.950 25.0-166.2-112.5 128.6 51.2 -24.0 -20.8 43 43 A F E -FG 35 137B 0 94,-2.8 94,-2.3 -2,-0.5 2,-0.6 -0.795 24.8-117.5-117.4 158.8 49.1 -23.0 -23.8 44 44 A N E - G 0 136B 10 -10,-2.3 2,-0.4 -11,-0.3 92,-0.2 -0.865 32.6-164.5 -94.1 117.4 46.1 -24.1 -25.7 45 45 A M E - G 0 135B 0 90,-3.1 90,-2.6 -2,-0.6 2,-0.6 -0.881 11.1-148.0-105.7 133.4 47.0 -25.0 -29.3 46 46 A V E -HG 95 134B 0 49,-2.6 49,-2.0 -2,-0.4 2,-0.4 -0.935 20.5-140.2 -99.4 116.3 44.3 -25.4 -32.0 47 47 A V E +H 94 0B 0 86,-3.0 85,-3.1 -2,-0.6 47,-0.3 -0.676 30.0 167.4 -82.0 131.1 45.6 -28.0 -34.5 48 48 A E E + 0 0 14 45,-2.8 46,-0.2 -2,-0.4 -1,-0.2 0.790 66.2 28.6-104.2 -48.1 44.9 -27.2 -38.2 49 49 A I E S-H 93 0B 0 44,-2.4 44,-2.8 81,-0.1 -1,-0.3 -0.960 73.0-136.2-126.5 120.3 47.0 -29.7 -40.1 50 50 A P > - 0 0 17 0, 0.0 3,-1.1 0, 0.0 39,-0.3 -0.326 41.2 -87.4 -69.9 153.4 48.2 -33.2 -39.0 51 51 A R T 3 S+ 0 0 7 1,-0.2 39,-0.2 39,-0.1 41,-0.1 -0.331 111.2 20.3 -60.3 148.7 51.7 -34.2 -39.6 52 52 A W T 3 S+ 0 0 13 37,-3.9 2,-0.2 1,-0.3 -1,-0.2 0.690 99.4 115.8 62.0 26.7 52.5 -35.8 -43.0 53 53 A T < - 0 0 48 -3,-1.1 36,-2.1 36,-0.2 -1,-0.3 -0.748 50.9-157.2-116.3 168.6 49.3 -34.4 -44.6 54 54 A N + 0 0 22 -2,-0.2 26,-2.7 34,-0.2 2,-0.3 0.666 54.0 109.0-118.4 -28.9 49.0 -31.9 -47.5 55 55 A A B -M 79 0C 10 24,-0.2 2,-1.9 1,-0.1 24,-0.2 -0.412 67.7-133.2 -58.5 120.7 45.6 -30.2 -47.4 56 56 A K + 0 0 15 22,-2.2 15,-2.8 -2,-0.3 2,-0.2 -0.515 35.7 177.1 -80.4 80.2 46.2 -26.6 -46.3 57 57 A L E +E 70 0A 5 -2,-1.9 2,-0.3 13,-0.2 13,-0.2 -0.609 2.8 170.4 -83.7 142.9 43.5 -26.3 -43.6 58 58 A E E -E 69 0A 36 11,-2.8 11,-2.4 -2,-0.2 2,-0.2 -0.994 43.0 -99.6-153.2 154.1 43.2 -23.0 -41.6 59 59 A I E -E 68 0A 5 -2,-0.3 2,-0.6 9,-0.2 9,-0.2 -0.459 49.0-129.9 -68.0 129.2 41.0 -21.2 -39.0 60 60 A T > - 0 0 14 7,-2.7 3,-0.6 -2,-0.2 -31,-0.1 -0.817 18.1-163.7 -94.8 125.6 39.1 -18.8 -41.3 61 61 A K T 3 S+ 0 0 20 -2,-0.6 180,-3.2 1,-0.2 -1,-0.2 0.784 84.9 57.7 -71.0 -28.6 39.1 -15.2 -40.2 62 62 A E T 3 S+ 0 0 110 178,-0.2 2,-0.3 2,-0.1 -1,-0.2 0.449 92.2 72.4 -89.0 -0.8 36.2 -14.2 -42.4 63 63 A E S X S- 0 0 58 -3,-0.6 3,-1.9 4,-0.1 178,-0.1 -0.869 90.6 -90.8-116.3 151.4 33.4 -16.6 -41.2 64 64 A T T 3 S+ 0 0 59 -2,-0.3 -2,-0.1 1,-0.3 180,-0.1 -0.340 111.6 8.9 -64.5 130.6 31.4 -16.6 -38.0 65 65 A L T 3 S- 0 0 1 178,-0.3 -37,-1.7 1,-0.2 -46,-0.3 0.462 111.0-106.5 74.6 10.9 32.9 -18.6 -35.1 66 66 A N < - 0 0 0 -3,-1.9 -38,-0.2 -39,-0.2 -1,-0.2 0.869 46.6-163.2 39.2 64.3 36.0 -19.0 -37.3 67 67 A P - 0 0 0 0, 0.0 -7,-2.7 0, 0.0 2,-0.5 -0.135 24.6-104.3 -66.8 166.8 35.7 -22.6 -38.4 68 68 A I E +CE 17 59A 0 -51,-2.6 -51,-1.8 -9,-0.2 2,-0.3 -0.822 52.9 159.4 -93.4 130.6 38.7 -24.5 -39.8 69 69 A I E - E 0 58A 31 -11,-2.4 -11,-2.8 -2,-0.5 2,-0.4 -0.902 45.2 -83.5-142.4 171.2 38.3 -24.9 -43.6 70 70 A Q E - E 0 57A 10 -55,-0.5 -13,-0.2 -58,-0.3 2,-0.1 -0.654 43.0-123.7 -85.8 133.8 40.6 -25.6 -46.6 71 71 A D - 0 0 35 -15,-2.8 7,-3.0 -2,-0.4 2,-0.3 -0.390 27.2-151.4 -69.2 152.4 42.4 -22.6 -48.0 72 72 A T E -N 77 0D 57 5,-0.3 2,-0.4 -2,-0.1 5,-0.2 -0.884 12.4-161.3-127.6 155.1 41.9 -22.0 -51.8 73 73 A K E > S-N 76 0D 94 3,-2.5 3,-1.9 -2,-0.3 -2,-0.0 -0.973 81.8 -12.1-137.8 120.6 44.1 -20.4 -54.5 74 74 A K T 3 S- 0 0 192 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.915 130.2 -52.4 52.2 51.2 42.3 -19.2 -57.6 75 75 A G T 3 S+ 0 0 64 1,-0.2 2,-0.4 -3,-0.0 -1,-0.3 0.494 116.7 111.8 67.9 5.0 39.1 -21.0 -56.8 76 76 A K E < S-N 73 0D 141 -3,-1.9 -3,-2.5 1,-0.0 -1,-0.2 -0.883 77.1-100.5-116.2 144.6 40.9 -24.3 -56.2 77 77 A L E -N 72 0D 48 -2,-0.4 2,-0.4 -5,-0.2 -5,-0.3 -0.299 44.1-124.6 -55.9 135.4 41.4 -26.2 -53.0 78 78 A R + 0 0 27 -7,-3.0 -22,-2.2 -22,-0.2 2,-0.4 -0.751 32.1 173.3 -95.9 132.9 44.9 -25.7 -51.7 79 79 A F B -M 55 0C 32 -2,-0.4 2,-0.3 -24,-0.2 -24,-0.2 -0.992 28.9-128.0-133.3 135.8 47.4 -28.5 -51.0 80 80 A V - 0 0 0 -26,-2.7 2,-0.1 -2,-0.4 113,-0.1 -0.673 32.7-121.4 -83.6 139.1 51.1 -28.1 -50.1 81 81 A R - 0 0 43 111,-0.5 2,-0.6 -2,-0.3 198,-0.1 -0.419 21.0-104.8 -82.5 159.8 53.5 -30.1 -52.2 82 82 A N E -o 279 0E 2 196,-0.9 198,-3.2 194,-0.4 2,-0.6 -0.738 34.5-168.8 -85.6 119.4 55.9 -32.8 -51.1 83 83 A C E > -o 280 0E 2 -2,-0.6 3,-2.4 5,-0.2 198,-0.2 -0.952 39.6 -72.8-115.1 116.8 59.5 -31.5 -51.2 84 84 A F T 3 S+ 0 0 28 196,-2.4 198,-0.1 -2,-0.6 3,-0.1 -0.114 115.8 14.0 -48.0 136.1 62.2 -34.1 -50.7 85 85 A P T 3 S+ 0 0 25 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 -0.907 115.6 79.1 -97.0 24.2 62.9 -35.5 -48.2 86 86 A H < - 0 0 4 -3,-2.4 2,-0.6 283,-0.1 3,-0.1 -0.538 61.9-145.4 -92.6 151.8 59.7 -34.4 -46.5 87 87 A H - 0 0 25 -2,-0.2 -35,-0.2 -5,-0.1 -5,-0.1 -0.916 63.0 -62.1-116.8 103.3 56.2 -35.8 -46.9 88 88 A G S S+ 0 0 1 -2,-0.6 2,-0.3 -36,-0.1 -5,-0.2 -0.312 115.4 5.0 57.7-140.3 53.7 -32.9 -46.6 89 89 A Y - 0 0 1 -36,-2.1 -37,-3.9 -39,-0.3 -36,-0.2 -0.566 60.1-159.7 -75.7 134.9 53.9 -31.1 -43.2 90 90 A I S S+ 0 0 4 -2,-0.3 2,-0.3 -39,-0.2 -39,-0.1 0.289 74.6 41.8 -98.5 8.3 56.6 -32.4 -40.9 91 91 A H S S- 0 0 3 -41,-0.1 2,-0.6 -42,-0.1 33,-0.2 -0.919 95.6 -97.5-141.7 164.9 55.0 -31.1 -37.7 92 92 A N E - I 0 123B 0 31,-2.2 31,-3.2 -2,-0.3 2,-0.4 -0.808 56.5-152.1 -82.7 126.5 51.5 -31.0 -36.3 93 93 A Y E +HI 49 122B 7 -44,-2.8 -45,-2.8 -2,-0.6 -44,-2.4 -0.894 33.9 111.5-114.8 139.4 50.6 -27.5 -37.4 94 94 A G E -HI 47 121B 0 27,-2.1 27,-2.5 -2,-0.4 2,-0.3 -0.803 47.0 -94.8-166.8-152.1 48.3 -24.9 -35.9 95 95 A A E -HI 46 120B 1 -49,-2.0 -49,-2.6 25,-0.3 25,-0.2 -0.888 25.9-110.5-144.4 167.8 47.9 -21.6 -34.1 96 96 A F > - 0 0 0 23,-1.6 3,-0.5 -2,-0.3 23,-0.4 -0.934 40.2-126.6-102.1 125.3 47.5 -20.2 -30.6 97 97 A P T 3 S+ 0 0 0 0, 0.0 -67,-0.2 0, 0.0 -68,-0.1 -0.231 88.9 33.7 -65.8 163.9 44.0 -18.7 -30.1 98 98 A Q T 3 S+ 0 0 23 -69,-2.7 2,-0.3 1,-0.2 128,-0.2 0.809 95.8 107.8 59.5 34.4 43.7 -15.1 -29.0 99 99 A T < - 0 0 0 -3,-0.5 2,-0.3 -70,-0.2 124,-0.2 -0.910 46.0-167.6-134.6 158.6 46.8 -13.9 -30.7 100 100 A W - 0 0 1 122,-1.0 2,-1.4 -2,-0.3 125,-0.2 -0.908 24.1-141.8-155.9 123.6 47.3 -11.7 -33.8 101 101 A E - 0 0 0 16,-2.7 15,-1.8 -2,-0.3 16,-0.3 -0.729 41.3-131.7 -82.2 92.6 50.2 -10.9 -36.1 102 102 A D > - 0 0 23 -2,-1.4 12,-2.4 1,-0.2 3,-0.7 -0.275 23.7-169.3 -55.2 116.0 49.3 -7.2 -36.5 103 103 A P T 3 S+ 0 0 20 0, 0.0 -1,-0.2 0, 0.0 10,-0.1 0.645 79.2 71.1 -79.6 -16.9 49.4 -6.3 -40.2 104 104 A N T 3 S+ 0 0 47 132,-0.1 2,-0.4 9,-0.1 -2,-0.1 0.463 97.3 50.2 -81.5 -3.4 49.0 -2.6 -39.4 105 105 A V S < S- 0 0 76 -3,-0.7 9,-0.6 7,-0.1 2,-0.4 -0.993 79.4-120.4-140.7 144.1 52.5 -2.2 -37.9 106 106 A S E -P 113 0F 59 -2,-0.4 7,-0.3 7,-0.2 -2,-0.0 -0.676 35.1-129.2 -78.8 132.4 56.0 -2.9 -38.9 107 107 A H E >> -P 112 0F 18 5,-2.5 4,-2.8 -2,-0.4 5,-0.8 -0.757 9.0-139.2 -86.6 128.7 57.5 -5.3 -36.3 108 108 A P T 45S+ 0 0 91 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.822 97.1 49.5 -53.7 -44.3 60.9 -4.1 -35.0 109 109 A E T 45S+ 0 0 75 1,-0.2 35,-0.0 3,-0.1 -2,-0.0 0.797 127.8 23.5 -69.3 -33.9 62.7 -7.4 -34.9 110 110 A T T 45S- 0 0 14 -3,-0.5 -1,-0.2 2,-0.2 3,-0.1 0.555 94.5-136.1-108.2 -14.2 61.7 -8.4 -38.5 111 111 A K T <5S+ 0 0 140 -4,-2.8 2,-0.3 1,-0.2 -5,-0.1 0.847 70.8 98.0 59.4 36.8 61.1 -5.0 -39.9 112 112 A A E - 0 0 118 -80,-0.1 3,-2.0 -81,-0.1 -83,-0.2 -0.906 32.7 -91.9-122.6 152.0 43.7 -34.2 -35.6 131 131 A T T 3 S+ 0 0 13 -2,-0.3 -83,-0.2 1,-0.3 3,-0.1 -0.391 112.6 17.4 -62.3 124.8 42.2 -31.2 -37.2 132 132 A G T 3 S+ 0 0 2 -85,-3.1 -1,-0.3 1,-0.3 2,-0.2 0.443 88.4 145.0 93.8 -0.6 40.3 -29.1 -34.7 133 133 A Q < - 0 0 38 -3,-2.0 -86,-3.0 -86,-0.2 2,-0.6 -0.499 40.8-148.9 -71.7 136.8 42.0 -30.7 -31.7 134 134 A V E +G 46 0B 21 -88,-0.2 2,-0.3 -2,-0.2 -88,-0.2 -0.960 27.8 175.5-107.1 113.2 42.7 -28.3 -28.8 135 135 A K E -G 45 0B 7 -90,-2.6 -90,-3.1 -2,-0.6 2,-0.5 -0.888 31.8-119.2-121.7 156.9 45.9 -29.5 -27.0 136 136 A Q E +G 44 0B 58 -2,-0.3 24,-2.5 -92,-0.2 25,-0.4 -0.798 40.9 167.8 -95.4 127.9 48.1 -28.3 -24.2 137 137 A V E -GK 43 159B 0 -94,-2.3 -94,-2.8 -2,-0.5 2,-0.4 -0.891 30.1-134.5-135.2 161.9 51.6 -27.6 -25.1 138 138 A K E -GK 42 158B 38 20,-1.8 20,-1.7 -2,-0.3 2,-0.3 -0.943 28.5-119.1-116.4 141.0 54.6 -25.9 -23.7 139 139 A A E + K 0 157B 1 -98,-0.7 18,-0.2 -2,-0.4 3,-0.1 -0.606 30.4 173.2 -79.7 140.7 56.8 -23.5 -25.8 140 140 A L E - 0 0 0 16,-3.1 31,-1.4 1,-0.4 72,-0.6 0.644 61.2 -38.4-117.2 -26.5 60.4 -24.4 -26.4 141 141 A G E -LK 211 156B 0 15,-1.1 15,-2.3 70,-0.2 -1,-0.4 -0.947 52.9-124.3-178.5-170.4 61.6 -21.7 -28.8 142 142 A I E -LK 210 155B 0 68,-1.8 68,-2.8 -2,-0.3 2,-0.4 -0.989 7.1-146.3-160.5 147.2 60.6 -19.7 -31.8 143 143 A M E -LK 209 154B 4 11,-2.2 11,-2.5 -2,-0.3 2,-1.3 -0.983 18.9-131.2-122.4 136.7 61.8 -18.9 -35.4 144 144 A A - 0 0 0 64,-0.5 60,-2.5 -2,-0.4 2,-0.4 -0.647 31.0-176.9 -88.8 82.9 61.4 -15.6 -37.3 145 145 A L E -R 203 0G 0 -2,-1.3 7,-2.6 7,-0.4 2,-0.8 -0.659 18.1-156.3 -83.3 133.3 60.0 -16.6 -40.6 146 146 A L E -RS 202 151G 32 56,-2.9 56,-1.5 -2,-0.4 2,-0.8 -0.950 17.5-164.0-105.4 101.0 59.5 -13.8 -43.1 147 147 A D E > S- S 0 150G 17 3,-2.6 3,-1.5 -2,-0.8 54,-0.1 -0.848 71.1 -25.7 -96.6 109.8 56.9 -15.4 -45.3 148 148 A E T 3 S- 0 0 94 -2,-0.8 -1,-0.3 1,-0.3 3,-0.1 0.944 129.6 -49.1 54.1 47.2 56.6 -13.6 -48.6 149 149 A G T 3 S+ 0 0 56 -3,-0.4 2,-0.3 1,-0.2 -1,-0.3 0.438 116.1 113.8 75.8 -0.5 57.9 -10.5 -46.9 150 150 A E E < S- S 0 147G 80 -3,-1.5 -3,-2.6 -38,-0.1 2,-0.4 -0.806 75.9-102.5-108.8 147.7 55.6 -10.7 -43.8 151 151 A T E +qS 114 146G 0 -38,-3.1 -36,-1.3 -2,-0.3 -5,-0.2 -0.491 48.2 164.5 -62.7 123.8 56.4 -11.3 -40.2 152 152 A D - 0 0 3 -7,-2.6 -7,-0.4 -2,-0.4 -1,-0.1 -0.391 17.8-163.4-147.9 63.7 55.4 -14.9 -39.6 153 153 A W - 0 0 3 -9,-0.2 -33,-1.1 1,-0.1 2,-0.5 -0.106 6.4-150.8 -50.3 143.6 56.8 -16.3 -36.3 154 154 A K E -jK 120 143B 1 -11,-2.5 -11,-2.2 -35,-0.1 2,-0.4 -0.964 8.9-151.0-121.9 110.0 56.8 -20.1 -35.9 155 155 A V E -jK 121 142B 0 -35,-2.9 -33,-3.2 -2,-0.5 2,-0.6 -0.672 8.1-141.6 -82.7 131.3 56.6 -21.3 -32.2 156 156 A I E +jK 122 141B 3 -15,-2.3 -16,-3.1 -2,-0.4 -15,-1.1 -0.862 37.2 158.6 -95.0 122.0 58.3 -24.6 -31.5 157 157 A A E -jK 123 139B 0 -35,-2.9 -33,-2.6 -2,-0.6 2,-0.4 -0.871 30.9-144.3-138.5 171.5 56.2 -26.6 -28.9 158 158 A I E - K 0 138B 0 -20,-1.7 -20,-1.8 -2,-0.3 -35,-0.1 -0.997 30.4-107.9-144.4 134.9 55.4 -30.0 -27.5 159 159 A D E > - K 0 137B 22 -2,-0.4 3,-2.1 -22,-0.2 -22,-0.3 -0.381 28.7-134.1 -55.6 130.0 52.2 -31.6 -26.2 160 160 A I T 3 S+ 0 0 59 -24,-2.5 -1,-0.2 1,-0.3 -23,-0.1 0.744 104.4 61.9 -61.6 -21.3 52.5 -31.8 -22.4 161 161 A N T 3 S+ 0 0 129 -25,-0.4 -1,-0.3 4,-0.1 -2,-0.1 0.428 77.0 114.6 -84.7 0.5 51.3 -35.4 -22.7 162 162 A D S X S- 0 0 12 -3,-2.1 3,-1.7 1,-0.1 -4,-0.0 -0.506 76.0-123.9 -73.1 140.8 54.3 -36.5 -24.9 163 163 A P T 3 S+ 0 0 91 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.794 112.8 46.1 -52.4 -33.0 56.6 -39.1 -23.2 164 164 A L T > S+ 0 0 49 1,-0.2 3,-1.8 2,-0.1 4,-0.5 0.578 83.0 99.4 -87.7 -11.5 59.5 -36.7 -23.8 165 165 A A G X S+ 0 0 3 -3,-1.7 3,-2.0 1,-0.3 -1,-0.2 0.867 78.5 53.3 -44.1 -51.6 57.8 -33.5 -22.6 166 166 A P G 3 S+ 0 0 97 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.737 109.0 52.0 -59.2 -22.9 59.4 -33.5 -19.0 167 167 A K G < S+ 0 0 117 -3,-1.8 2,-0.6 -4,-0.1 -2,-0.2 0.454 96.9 75.9 -93.1 -2.2 62.8 -33.7 -20.6 168 168 A L < + 0 0 0 -3,-2.0 -1,-0.1 -4,-0.5 3,-0.1 -0.936 44.3 143.4-114.2 110.5 62.3 -30.8 -23.0 169 169 A N + 0 0 77 -2,-0.6 2,-0.3 1,-0.4 -1,-0.1 0.549 65.8 9.1-122.1 -13.3 62.5 -27.4 -21.3 170 170 A D S >> S- 0 0 35 42,-0.1 3,-2.4 41,-0.1 4,-0.6 -0.974 87.4 -83.9-160.4 165.6 64.2 -25.0 -23.8 171 171 A I H >> S+ 0 0 14 -31,-1.4 4,-1.0 -2,-0.3 3,-0.9 0.740 118.6 64.8 -48.1 -30.9 65.3 -24.9 -27.4 172 172 A E H 3> S+ 0 0 113 1,-0.3 4,-1.0 2,-0.2 -1,-0.3 0.809 96.3 59.9 -65.2 -26.5 68.7 -26.7 -26.7 173 173 A D H <> S+ 0 0 36 -3,-2.4 4,-2.3 1,-0.2 5,-0.3 0.778 94.6 63.1 -72.1 -26.0 66.7 -29.8 -25.7 174 174 A V H < S- 0 0 14 -4,-2.7 3,-2.2 -5,-0.3 4,-0.5 -0.452 81.0-168.1-127.2 60.9 65.3 -34.4 -32.1 179 179 A P T 3 S+ 0 0 59 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 -0.192 73.5 12.6 -55.5 132.5 68.6 -34.0 -33.9 180 180 A G T 3> S+ 0 0 23 -5,-0.1 4,-2.7 1,-0.0 5,-0.2 0.179 95.8 107.5 88.0 -15.1 68.3 -32.4 -37.3 181 181 A L H <> S+ 0 0 6 -3,-2.2 4,-2.0 -7,-0.2 5,-0.2 0.918 78.5 48.0 -61.9 -46.4 64.7 -31.4 -36.8 182 182 A L H > S+ 0 0 28 -4,-0.5 4,-2.1 2,-0.2 -1,-0.2 0.883 113.1 49.2 -63.4 -36.0 65.4 -27.7 -36.4 183 183 A R H > S+ 0 0 211 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.950 113.2 46.6 -66.3 -45.2 67.6 -27.8 -39.6 184 184 A A H X S+ 0 0 12 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.772 110.8 54.0 -67.3 -27.2 64.8 -29.6 -41.4 185 185 A T H X S+ 0 0 2 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.886 107.7 48.6 -74.0 -41.9 62.3 -27.1 -40.1 186 186 A N H X S+ 0 0 32 -4,-2.1 4,-1.4 2,-0.2 -2,-0.2 0.968 113.9 47.1 -62.0 -51.0 64.3 -24.1 -41.4 187 187 A E H X S+ 0 0 64 -4,-2.4 4,-2.2 1,-0.2 3,-0.4 0.922 107.6 57.2 -56.7 -47.9 64.6 -25.7 -44.8 188 188 A W H X S+ 0 0 4 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.879 109.2 42.7 -51.9 -50.6 60.9 -26.7 -45.0 189 189 A F H < S+ 0 0 1 -4,-1.8 -1,-0.2 1,-0.2 12,-0.2 0.755 112.1 55.8 -73.6 -20.6 59.6 -23.1 -44.6 190 190 A R H < S+ 0 0 69 -4,-1.4 11,-2.2 -3,-0.4 3,-0.2 0.928 122.8 22.5 -72.9 -43.1 62.2 -21.7 -46.9 191 191 A I H >< S+ 0 0 15 -4,-2.2 3,-1.6 9,-0.2 -2,-0.2 0.538 88.1 99.4-105.5 -8.3 61.2 -24.0 -49.8 192 192 A Y T 3< S+ 0 0 8 -4,-2.1 -111,-0.5 1,-0.3 -1,-0.1 0.681 90.2 43.8 -58.9 -19.5 57.6 -25.3 -49.4 193 193 A K T > >S+ 0 0 9 -3,-0.2 5,-2.3 -4,-0.2 3,-1.1 0.453 85.3 90.7-105.3 2.0 56.1 -22.8 -51.9 194 194 A I G X 5S+ 0 0 58 -3,-1.6 3,-2.2 1,-0.3 -2,-0.1 0.908 83.2 57.9 -61.7 -39.9 58.7 -23.0 -54.6 195 195 A P G 3 5S+ 0 0 28 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.691 104.1 54.9 -63.7 -16.7 56.7 -25.8 -56.3 196 196 A D G < 5S- 0 0 70 -3,-1.1 -2,-0.2 2,-0.1 -3,-0.1 0.455 127.5-101.7 -91.0 -3.8 53.8 -23.2 -56.4 197 197 A G T < 5S+ 0 0 67 -3,-2.2 -3,-0.2 1,-0.3 -4,-0.1 0.558 79.7 133.7 95.0 10.4 56.0 -20.7 -58.2 198 198 A K < - 0 0 67 -5,-2.3 -1,-0.3 1,-0.1 -2,-0.1 -0.580 59.1-107.1 -92.8 152.4 56.8 -18.6 -55.2 199 199 A P - 0 0 99 0, 0.0 -6,-0.2 0, 0.0 -51,-0.1 -0.336 46.9 -82.9 -72.2 164.0 60.3 -17.5 -54.3 200 200 A E - 0 0 104 1,-0.1 -9,-0.2 -7,-0.1 -10,-0.1 -0.342 47.7-127.5 -62.7 146.5 62.2 -19.0 -51.4 201 201 A N - 0 0 9 -11,-2.2 2,-0.3 -12,-0.2 -54,-0.2 -0.385 21.0-141.9 -87.9 174.8 61.3 -17.5 -48.0 202 202 A Q E -R 146 0G 142 -56,-1.5 -56,-2.9 -2,-0.1 2,-0.4 -0.917 0.5-137.5-136.8 167.0 63.9 -16.1 -45.5 203 203 A F E > -R 145 0G 22 -2,-0.3 3,-0.6 -58,-0.2 -58,-0.2 -0.953 15.6-129.8-127.0 142.5 64.5 -16.1 -41.8 204 204 A A G > S+ 0 0 18 -60,-2.5 3,-2.0 -2,-0.4 -60,-0.3 -0.312 94.3 36.8 -79.7 171.1 65.6 -13.3 -39.5 205 205 A F G > S- 0 0 59 1,-0.3 3,-2.0 2,-0.2 -1,-0.2 0.783 134.2 -73.8 55.7 26.5 68.5 -13.9 -37.1 206 206 A S G < S- 0 0 128 -3,-0.6 -1,-0.3 1,-0.3 -2,-0.2 0.822 90.3 -56.0 58.2 33.6 70.0 -16.1 -39.9 207 207 A G G < S+ 0 0 10 -3,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.513 94.5 157.6 79.2 2.9 67.4 -18.8 -39.2 208 208 A E < - 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0 0 81 -5,-2.0 -1,-0.3 1,-0.1 2,-0.1 -0.441 58.5-111.8 -82.5 155.8 68.8 -55.0 -35.3 482 199 B P - 0 0 91 0, 0.0 -51,-0.2 0, 0.0 -6,-0.1 -0.505 49.7 -81.7 -80.6 156.6 72.4 -53.9 -36.0 483 200 B E - 0 0 86 -2,-0.1 -9,-0.2 1,-0.1 -10,-0.1 -0.288 49.7-120.8 -57.7 141.9 72.9 -51.4 -38.8 484 201 B N - 0 0 3 -11,-2.3 2,-0.3 -12,-0.2 -54,-0.2 -0.317 23.2-143.6 -79.1 168.1 73.0 -53.0 -42.3 485 202 B Q E -L 429 0O 106 -56,-1.5 -56,-3.1 -13,-0.1 2,-0.4 -0.850 1.3-144.1-129.5 164.5 76.0 -52.8 -44.7 486 203 B F E -L 428 0O 26 -2,-0.3 3,-0.5 -58,-0.2 -58,-0.2 -0.981 14.9-132.2-129.4 142.0 76.4 -52.5 -48.5 487 204 B A S > S+ 0 0 19 -60,-2.3 3,-1.8 -2,-0.4 -60,-0.4 -0.354 90.9 40.5 -81.0 171.7 79.1 -54.0 -50.7 488 205 B F G > S- 0 0 58 1,-0.3 3,-1.7 2,-0.2 -1,-0.2 0.780 134.4 -71.3 59.0 26.7 80.9 -51.8 -53.2 489 206 B S G 3 S- 0 0 127 -3,-0.5 -1,-0.3 1,-0.3 -2,-0.2 0.782 87.0 -65.9 61.1 26.9 81.0 -49.0 -50.6 490 207 B G G < S+ 0 0 10 -3,-1.8 -1,-0.3 1,-0.2 2,-0.2 0.650 92.6 153.3 71.5 15.7 77.2 -48.6 -51.1 491 208 B E < - 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