==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE (SERINE ESTERASE) 07-OCT-94 1ESE . COMPND 2 MOLECULE: ESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES SCABIEI; . AUTHOR Y.WEI,J.L.SCHOTTEL,U.DEREWENDA,L.SWENSON,S.PATKAR, . 302 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12893.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 206 68.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 6.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 11 3.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 1 0.3 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 . 16 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 15.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 88 29.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.7 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 3 0 0 0 1 0 0 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 1 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 PARALLEL BRIDGES PER LADDER . 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 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 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 4 A D 0 0 183 0, 0.0 51,-0.5 0, 0.0 53,-0.0 0.000 360.0 360.0 360.0 120.8 58.3 34.2 6.7 2 5 A P - 0 0 72 0, 0.0 51,-0.2 0, 0.0 49,-0.0 -0.239 360.0-152.3 -60.6 146.5 58.7 32.6 3.3 3 6 A V E -a 53 0A 16 49,-1.4 51,-1.7 2,-0.0 90,-0.1 -0.882 21.9-133.7-116.9 89.1 58.2 28.8 3.3 4 7 A P E -a 54 0A 14 0, 0.0 90,-1.7 0, 0.0 91,-1.4 -0.282 35.8-174.6 -50.3 121.3 60.4 27.6 0.4 5 8 A T E -ab 55 95A 0 49,-2.5 51,-2.8 89,-0.2 52,-1.0 -0.984 23.6-162.5-127.9 143.5 58.1 25.2 -1.5 6 9 A V E -ab 57 96A 1 89,-2.7 91,-1.6 -2,-0.4 2,-0.4 -0.980 7.8-159.6-122.4 134.0 58.4 22.8 -4.4 7 10 A F E +ab 58 97A 1 50,-1.9 52,-2.8 -2,-0.4 2,-0.3 -0.877 20.6 164.7-108.7 142.6 55.4 21.4 -6.3 8 11 A F + 0 0 1 89,-1.6 91,-0.3 -2,-0.4 52,-0.3 -0.825 14.7 103.8-140.1 174.2 55.9 18.3 -8.3 9 12 A G - 0 0 0 50,-0.4 52,-2.1 -2,-0.3 55,-0.2 -0.816 57.1 -69.4 139.1 178.3 53.5 15.8 -9.8 10 13 A D S >> S- 0 0 3 89,-2.2 4,-1.4 -2,-0.3 3,-1.2 0.060 76.8 -63.9 -92.3-154.9 51.6 14.2 -12.7 11 14 A S H 3>>S+ 0 0 14 1,-0.3 5,-1.7 2,-0.2 4,-1.3 0.556 126.9 70.7 -82.0 -1.1 48.8 15.9 -14.6 12 15 A Y H 345S+ 0 0 26 87,-0.2 -1,-0.3 3,-0.2 26,-0.1 0.532 110.7 33.9 -91.4 -0.5 46.5 16.1 -11.4 13 16 A T H <45S+ 0 0 0 -3,-1.2 -2,-0.2 86,-0.2 -1,-0.1 0.553 120.3 48.6-115.8 -30.1 48.9 18.8 -10.1 14 17 A A H <5S- 0 0 0 -4,-1.4 20,-2.4 23,-0.1 -3,-0.2 0.809 106.2-135.7 -76.9 -35.0 49.7 20.3 -13.5 15 18 A N T ><5 - 0 0 0 -4,-1.3 3,-2.5 18,-0.2 -3,-0.2 0.957 13.9-147.2 70.8 65.9 45.9 20.3 -14.1 16 19 A F T 3 S+ 0 0 76 -2,-0.2 3,-2.2 1,-0.1 6,-0.3 0.757 75.8 165.1 49.2 35.6 55.5 27.8 -21.0 24 27 A Q T 3 S+ 0 0 139 -3,-0.5 -2,-0.1 1,-0.3 5,-0.1 0.902 74.9 37.2 -36.2 -60.3 53.1 27.8 -24.0 25 28 A D T 3 S+ 0 0 161 4,-0.1 -1,-0.3 3,-0.1 2,-0.2 0.012 111.8 72.7 -91.0 19.5 55.9 28.5 -26.4 26 29 A S S X S- 0 0 60 -3,-2.2 3,-1.1 -4,-0.1 4,-0.3 -0.730 96.7 -90.6-130.9 179.0 58.6 26.4 -24.8 27 30 A E G > S+ 0 0 90 1,-0.3 3,-1.7 -2,-0.2 53,-0.1 0.894 123.5 57.3 -62.3 -46.6 59.5 22.8 -24.3 28 31 A R G > S+ 0 0 54 1,-0.3 3,-1.7 2,-0.2 5,-0.5 0.387 80.3 90.2 -69.6 4.2 57.5 22.6 -21.0 29 32 A G G X S+ 0 0 9 -3,-1.1 3,-1.8 -6,-0.3 -1,-0.3 0.923 79.7 62.8 -62.6 -38.7 54.4 23.7 -23.0 30 33 A W G < S+ 0 0 76 -3,-1.7 -1,-0.3 -4,-0.3 -2,-0.2 0.398 84.5 73.9 -70.0 5.0 54.0 19.9 -23.5 31 34 A a G < S- 0 0 1 -3,-1.7 31,-2.4 -9,-0.2 -1,-0.3 0.661 92.5-143.8 -84.5 -23.9 53.5 19.5 -19.7 32 35 A F < + 0 0 27 -3,-1.8 2,-0.7 -4,-0.3 -14,-0.2 0.907 36.9 169.2 57.7 47.9 50.0 21.1 -20.2 33 36 A Q - 0 0 16 -5,-0.5 -11,-2.8 -11,-0.4 -1,-0.2 -0.871 28.3-135.3 -96.7 113.6 50.6 22.8 -16.8 34 37 A A B > -E 21 0B 0 -20,-2.4 3,-0.6 -2,-0.7 -13,-0.3 -0.199 9.7-132.0 -63.6 160.4 48.0 25.3 -16.2 35 38 A K T 3 S+ 0 0 112 -15,-2.0 -1,-0.1 1,-0.2 -14,-0.1 0.713 110.8 45.1 -77.6 -33.0 48.8 28.8 -14.9 36 39 A E T 3 S+ 0 0 71 -16,-0.5 -1,-0.2 4,-0.1 -2,-0.1 -0.267 79.5 148.2-111.2 48.4 46.0 28.2 -12.4 37 40 A N S <> S- 0 0 5 -3,-0.6 4,-1.9 1,-0.1 5,-0.2 -0.267 70.2 -90.4 -74.7 167.8 46.7 24.6 -11.2 38 41 A Y H > S+ 0 0 0 1,-0.2 4,-3.0 2,-0.2 5,-0.4 0.950 129.8 60.2 -52.1 -48.5 45.7 23.7 -7.5 39 42 A P H > S+ 0 0 1 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.921 105.5 46.0 -43.4 -60.7 49.3 24.8 -6.5 40 43 A A H > S+ 0 0 23 1,-0.2 4,-1.7 -3,-0.2 -2,-0.2 0.911 118.1 43.2 -47.8 -48.0 48.8 28.4 -7.9 41 44 A V H X S+ 0 0 22 -4,-1.9 4,-2.7 2,-0.2 -1,-0.2 0.903 110.2 53.3 -73.1 -43.4 45.4 28.7 -6.1 42 45 A A H X S+ 0 0 0 -4,-3.0 4,-2.6 -5,-0.2 5,-0.3 0.914 108.7 52.2 -61.1 -43.8 46.4 27.2 -2.8 43 46 A T H X S+ 0 0 33 -4,-2.3 4,-2.5 -5,-0.4 10,-0.2 0.930 109.6 49.1 -53.8 -51.6 49.4 29.7 -2.6 44 47 A R H X S+ 0 0 129 -4,-1.7 4,-2.3 1,-0.2 3,-0.3 0.967 114.2 44.7 -52.8 -63.7 46.9 32.6 -3.2 45 48 A S H X S+ 0 0 45 -4,-2.7 4,-0.9 1,-0.3 -1,-0.2 0.798 114.2 48.3 -53.9 -36.9 44.5 31.3 -0.5 46 49 A L H <>S+ 0 0 1 -4,-2.6 5,-3.8 2,-0.2 3,-0.3 0.842 105.8 60.4 -73.8 -33.5 47.3 30.6 2.0 47 50 A A H ><5S+ 0 0 52 -4,-2.5 3,-1.6 -3,-0.3 -2,-0.2 0.964 107.4 44.9 -55.4 -49.7 48.7 34.1 1.2 48 51 A D H 3<5S+ 0 0 136 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.710 106.8 55.4 -75.2 -9.1 45.5 35.6 2.4 49 52 A K T 3<5S- 0 0 123 -4,-0.9 -1,-0.3 -3,-0.3 -2,-0.2 0.238 128.2-106.5 -92.5 11.0 45.3 33.4 5.6 50 53 A G T < 5S+ 0 0 57 -3,-1.6 2,-0.6 1,-0.2 -3,-0.2 0.623 80.6 133.6 67.1 27.3 48.8 35.0 6.0 51 54 A I < - 0 0 23 -5,-3.8 2,-0.7 -6,-0.1 -1,-0.2 -0.918 41.5-158.4 -94.7 119.5 50.8 31.8 5.1 52 55 A T - 0 0 77 -2,-0.6 -49,-1.4 -51,-0.5 2,-0.3 -0.849 8.1-170.8-114.3 109.9 53.5 32.9 2.6 53 56 A L E -a 3 0A 13 -2,-0.7 2,-0.9 -51,-0.2 -6,-0.0 -0.757 14.7-149.8 -88.9 132.6 54.9 30.1 0.5 54 57 A D E -a 4 0A 78 -51,-1.7 -49,-2.5 -2,-0.3 2,-0.5 -0.886 19.1-150.1-109.2 95.5 58.0 31.0 -1.6 55 58 A V E +a 5 0A 57 -2,-0.9 -49,-0.2 -51,-0.2 3,-0.1 -0.521 20.9 178.0 -68.4 120.7 57.5 28.7 -4.5 56 59 A Q E - 0 0 53 -51,-2.8 2,-0.3 -2,-0.5 -50,-0.2 0.817 67.1 -3.4 -93.5 -40.3 60.9 27.8 -5.8 57 60 A A E -a 6 0A 23 -52,-1.0 -50,-1.9 -49,-0.0 2,-0.4 -0.982 44.1-163.3-152.7 156.0 59.7 25.4 -8.5 58 61 A D E +a 7 0A 36 -2,-0.3 -50,-0.2 -52,-0.2 -52,-0.0 -0.830 25.0 163.3-138.8 98.9 56.5 23.9 -9.9 59 62 A V + 0 0 22 -52,-2.8 -50,-0.4 -2,-0.4 -51,-0.2 -0.051 19.7 137.9-110.3 25.0 57.7 21.0 -12.0 60 63 A S + 0 0 0 -52,-0.3 2,-0.3 -47,-0.1 -50,-0.2 -0.351 27.1 176.5 -65.2 152.1 54.5 19.1 -12.4 61 64 A a > - 0 0 0 -52,-2.1 3,-1.3 -29,-0.1 -29,-0.1 -0.925 32.5-105.3-159.5 135.7 54.0 17.7 -15.8 62 65 A G T 3 S+ 0 0 16 -31,-2.4 3,-0.1 -2,-0.3 -52,-0.1 -0.318 103.6 27.1 -70.7 148.6 51.4 15.6 -17.5 63 66 A G T 3 S+ 0 0 19 1,-0.3 -1,-0.2 -2,-0.1 -53,-0.1 0.086 83.8 147.4 89.3 -12.9 52.4 12.0 -18.2 64 67 A A < - 0 0 0 -3,-1.3 39,-0.4 -55,-0.2 37,-0.4 -0.220 32.1-158.1 -54.1 122.7 55.0 11.9 -15.4 65 68 A L > - 0 0 31 38,-0.2 3,-0.6 -3,-0.1 4,-0.1 -0.362 36.1 -98.5 -89.1-179.0 55.4 8.6 -13.7 66 69 A I G > S+ 0 0 0 1,-0.2 3,-1.5 2,-0.2 4,-0.2 0.907 123.8 56.6 -64.3 -43.3 56.8 8.2 -10.2 67 70 A H G >> S+ 0 0 36 1,-0.3 3,-1.8 2,-0.2 4,-1.5 0.662 88.3 74.0 -69.9 -10.2 60.3 7.4 -11.5 68 71 A H G <4 S+ 0 0 23 -3,-0.6 17,-2.6 1,-0.3 -1,-0.3 0.507 81.0 75.2 -74.3 -6.5 60.3 10.7 -13.5 69 72 A F G <4 S+ 0 0 1 -3,-1.5 17,-2.3 15,-0.2 -1,-0.3 0.819 117.4 14.4 -71.3 -28.6 60.9 12.1 -10.1 70 73 A W T <4 S+ 0 0 38 -3,-1.8 2,-0.3 -4,-0.2 -2,-0.3 0.461 124.7 66.1-127.9 -0.9 64.5 10.7 -10.5 71 74 A E S < S- 0 0 89 -4,-1.5 14,-0.4 12,-0.1 2,-0.2 -0.840 90.2 -94.0-118.5 157.6 64.6 10.0 -14.3 72 75 A K - 0 0 109 -2,-0.3 2,-0.6 12,-0.2 -3,-0.1 -0.455 38.4-129.3 -71.9 130.9 64.5 12.3 -17.3 73 76 A Q E -F 82 0C 14 9,-2.5 9,-3.5 -2,-0.2 2,-0.9 -0.723 10.6-147.3 -90.8 126.8 61.1 12.8 -18.8 74 77 A E E -F 81 0C 142 -2,-0.6 7,-0.3 7,-0.3 5,-0.0 -0.834 16.8-149.6 -96.4 107.4 60.7 12.4 -22.4 75 78 A L > - 0 0 8 5,-3.2 3,-0.8 -2,-0.9 5,-0.4 -0.324 29.5 -87.0 -71.5 157.2 58.1 14.8 -23.7 76 79 A P G > S+ 0 0 55 0, 0.0 3,-1.1 0, 0.0 -1,-0.1 -0.285 98.6 12.0 -72.0 151.0 56.0 13.8 -26.7 77 80 A F G 3 S- 0 0 170 1,-0.2 -2,-0.0 2,-0.1 0, 0.0 0.358 128.3 -56.8 63.0 11.4 56.9 14.4 -30.3 78 81 A G G < S+ 0 0 72 -3,-0.8 -1,-0.2 2,-0.2 3,-0.1 0.524 93.4 137.9 102.9 9.7 60.6 15.3 -30.0 79 82 A A < - 0 0 31 -3,-1.1 2,-0.3 1,-0.2 -2,-0.1 0.921 66.8-101.4 -52.6 -53.1 59.8 18.1 -27.7 80 83 A G - 0 0 20 -5,-0.4 -5,-3.2 -53,-0.1 2,-0.4 -0.882 31.6 -70.4 150.0 179.5 62.7 17.1 -25.5 81 84 A E E -F 74 0C 82 -2,-0.3 -7,-0.3 -7,-0.3 -9,-0.1 -0.866 42.1-145.3-102.7 135.1 63.7 15.4 -22.3 82 85 A L E -F 73 0C 3 -9,-3.5 -9,-2.5 -2,-0.4 3,-0.1 -0.827 25.0-107.5-101.6 145.0 62.8 17.1 -19.1 83 86 A P - 0 0 67 0, 0.0 -12,-0.1 0, 0.0 -10,-0.1 -0.277 49.5 -77.7 -63.9 158.8 65.2 16.9 -16.1 84 87 A P > - 0 0 22 0, 0.0 3,-1.5 0, 0.0 -15,-0.2 -0.206 38.0-126.9 -55.4 138.1 64.3 14.7 -13.1 85 88 A Q G > S+ 0 0 9 -17,-2.6 3,-2.2 -14,-0.4 4,-0.2 0.866 104.7 69.7 -59.8 -25.8 61.8 16.4 -10.9 86 89 A Q G > S+ 0 0 21 -17,-2.3 3,-1.4 1,-0.3 -1,-0.2 0.744 83.4 73.3 -63.8 -22.8 64.0 15.9 -7.8 87 90 A D G < S+ 0 0 106 -3,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.581 83.9 67.6 -66.2 -18.7 66.4 18.4 -9.2 88 91 A A G < S+ 0 0 20 -3,-2.2 2,-0.3 -4,-0.2 -1,-0.3 0.438 83.1 96.0 -74.9 -13.8 64.0 21.1 -8.3 89 92 A L < - 0 0 19 -3,-1.4 2,-0.3 -4,-0.2 84,-0.0 -0.641 55.5-165.6 -82.2 144.6 64.6 20.6 -4.6 90 93 A K > - 0 0 116 -2,-0.3 3,-2.2 1,-0.0 -2,-0.0 -0.913 33.9-116.1-127.7 151.6 67.0 22.6 -2.5 91 94 A Q T 3 S+ 0 0 156 -2,-0.3 84,-0.4 1,-0.3 85,-0.1 0.765 119.9 55.1 -61.3 -27.4 68.4 21.7 1.0 92 95 A D T 3 S+ 0 0 85 82,-0.1 2,-0.4 81,-0.1 -1,-0.3 0.438 79.9 117.8 -85.0 -3.7 66.6 24.9 2.2 93 96 A T < + 0 0 0 -3,-2.2 82,-0.5 79,-0.2 -88,-0.2 -0.608 38.7 179.4 -63.9 127.0 63.3 23.6 0.7 94 97 A Q + 0 0 88 -90,-1.7 83,-2.6 -2,-0.4 2,-0.4 0.424 62.1 42.2-106.4 -13.3 60.8 23.2 3.7 95 98 A L E -bc 5 177A 0 -91,-1.4 -89,-2.7 81,-0.3 2,-0.4 -0.948 53.9-178.6-149.4 125.6 57.7 22.0 1.9 96 99 A T E +bc 6 178A 1 81,-2.7 83,-2.8 -2,-0.4 2,-0.3 -0.992 11.8 169.0-127.1 125.8 57.1 19.5 -0.9 97 100 A V E +bc 7 179A 0 -91,-1.6 -89,-1.6 -2,-0.4 2,-0.3 -0.999 18.5 112.6-133.0 128.7 53.5 18.9 -2.4 98 101 A G E - c 0 180A 0 81,-1.4 83,-2.8 -2,-0.3 2,-0.4 -0.963 53.5-109.8-178.3 177.3 52.5 16.9 -5.5 99 102 A S + 0 0 1 -91,-0.3 -89,-2.2 -2,-0.3 2,-0.3 -0.990 37.1 164.4-126.9 131.9 50.6 13.8 -6.7 100 103 A L + 0 0 0 -2,-0.4 -35,-0.1 81,-0.2 -2,-0.1 -0.928 43.9 63.4-145.9 140.8 52.6 10.9 -8.3 101 104 A G > + 0 0 0 -37,-0.4 4,-2.7 -2,-0.3 5,-0.2 -0.162 67.1 90.5 137.7 -44.1 51.5 7.3 -8.9 102 105 A G H >>S+ 0 0 8 1,-0.2 4,-2.6 2,-0.2 5,-2.2 0.946 95.0 45.4 -53.1 -52.0 48.5 7.2 -11.3 103 106 A N H 45S+ 0 0 25 -39,-0.4 -1,-0.2 3,-0.2 -38,-0.2 0.826 111.0 52.6 -62.6 -33.5 50.8 6.8 -14.4 104 107 A T H 45S+ 0 0 0 1,-0.2 -1,-0.2 -40,-0.2 -2,-0.2 0.932 112.6 43.4 -73.4 -34.7 53.0 4.2 -12.8 105 108 A L H <5S- 0 0 0 -4,-2.7 -2,-0.2 52,-0.1 -1,-0.2 0.904 116.0-129.9 -69.5 -36.9 49.9 2.2 -11.9 106 109 A G T X5 + 0 0 2 -4,-2.6 4,-1.0 -5,-0.2 3,-0.3 0.748 44.9 166.6 93.1 46.4 49.0 3.1 -15.5 107 110 A F H >>> S+ 0 0 21 1,-0.2 4,-1.6 2,-0.2 3,-0.8 0.867 102.3 50.5 -60.5 -52.1 45.7 5.8 -18.6 109 112 A R H 3> S+ 0 0 70 -3,-0.3 20,-0.7 1,-0.2 4,-0.6 0.599 107.0 57.2 -61.0 -20.8 46.3 2.3 -20.1 110 113 A I H 4 S+ 0 0 71 1,-0.2 3,-0.7 2,-0.2 -1,-0.3 0.893 105.9 44.2 -50.1 -48.9 37.3 5.4 -28.6 118 121 A L T 34 S+ 0 0 2 -3,-0.5 -2,-0.2 1,-0.2 -1,-0.2 0.781 99.5 72.0 -70.5 -33.8 40.5 5.9 -26.4 119 122 A R T 3< S+ 0 0 66 -4,-1.5 -1,-0.2 -7,-0.3 -2,-0.2 0.326 88.9 79.9 -63.4 -4.9 42.4 3.3 -28.4 120 123 A K S < S- 0 0 119 -3,-0.7 -8,-0.0 -4,-0.4 -3,-0.0 -0.701 107.5 -58.1 -97.5 157.3 42.5 5.8 -31.3 121 124 A P S S+ 0 0 145 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.071 75.8 144.5 -45.9 117.3 44.9 8.7 -31.6 122 125 A S - 0 0 38 2,-0.2 -4,-0.0 -3,-0.1 153,-0.0 -0.929 61.0-111.0-150.3 160.1 44.4 10.9 -28.6 123 126 A L S S+ 0 0 53 -2,-0.3 152,-0.0 2,-0.1 0, 0.0 -0.034 84.9 107.3 -87.9 22.7 46.8 13.0 -26.5 124 127 A L S S- 0 0 17 -6,-0.2 -2,-0.2 2,-0.1 2,-0.0 -0.977 72.6-123.9-111.6 116.8 46.4 10.7 -23.5 125 128 A P + 0 0 64 0, 0.0 2,-0.1 0, 0.0 -2,-0.1 -0.248 61.2 46.1 -67.1 150.4 49.6 8.6 -23.1 126 129 A G - 0 0 31 -18,-0.1 -2,-0.1 -17,-0.1 3,-0.1 -0.231 68.0-103.0 107.4 167.7 49.9 4.9 -23.1 127 130 A D - 0 0 116 1,-0.2 -14,-0.1 -2,-0.1 -15,-0.1 -0.739 48.3 -88.2-117.8 160.6 48.7 1.8 -24.9 128 131 A P - 0 0 23 0, 0.0 3,-0.4 0, 0.0 -1,-0.2 -0.072 39.4-117.4 -63.8 170.9 45.9 -0.5 -23.7 129 132 A V S S+ 0 0 25 -20,-0.7 2,-1.0 1,-0.3 3,-0.1 0.979 107.8 19.8 -80.6 -65.0 47.2 -3.3 -21.5 130 133 A D S S- 0 0 51 1,-0.2 -1,-0.3 2,-0.0 3,-0.1 -0.855 76.1-165.8 -97.6 101.5 46.1 -6.2 -23.8 131 134 A G S S+ 0 0 48 -2,-1.0 -1,-0.2 -3,-0.4 -2,-0.1 0.744 87.5 47.5 -55.2 -29.3 45.7 -4.5 -27.2 132 135 A D S S+ 0 0 149 2,-0.1 -1,-0.2 -3,-0.1 -2,-0.0 0.835 88.7 88.9 -82.6 -41.9 43.9 -7.6 -28.6 133 136 A E S S- 0 0 55 1,-0.1 2,-0.3 -3,-0.1 5,-0.0 -0.374 90.3-110.4 -55.5 145.8 41.4 -8.1 -25.7 134 137 A P >> - 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