==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE(ACTING ON ACID ANHYDRIDES) 17-MAY-94 1NGC . COMPND 2 MOLECULE: HEAT-SHOCK COGNATE 70 KD PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR K.M.FLAHERTY,S.M.WILBANKS,C.DELUCA-FLAHERTY,D.B.MCKAY . 378 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16766.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 289 76.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 5.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 59 15.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 1.9 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 . 33 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 47 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 117 31.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.3 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 2 1 0 1 1 2 0 0 0 0 0 1 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 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 0 0 PARALLEL BRIDGES PER LADDER . 1 2 2 1 2 1 1 1 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 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 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 G 0 0 71 0, 0.0 137,-0.2 0, 0.0 135,-0.1 0.000 360.0 360.0 360.0 143.0 15.1 19.1 -8.8 2 5 A P - 0 0 45 0, 0.0 135,-0.4 0, 0.0 2,-0.3 -0.336 360.0-121.7 -67.5 148.5 18.0 19.7 -6.3 3 6 A A - 0 0 9 15,-0.2 15,-0.5 133,-0.1 2,-0.3 -0.636 33.7-150.6 -84.8 149.5 17.7 18.4 -2.8 4 7 A V E -a 139 0A 0 134,-1.6 136,-2.0 -2,-0.3 2,-0.5 -0.787 9.9-127.6-121.9 168.1 18.0 21.1 -0.2 5 8 A G E -aB 140 16A 0 11,-3.0 11,-2.6 -2,-0.3 2,-0.5 -0.966 24.6-165.8-117.3 131.0 19.2 21.4 3.3 6 9 A I E -aB 141 15A 0 134,-3.2 136,-1.9 -2,-0.5 2,-0.8 -0.966 17.1-158.8-127.2 126.9 16.9 22.9 6.0 7 10 A D E - B 0 14A 18 7,-3.1 7,-2.1 -2,-0.5 2,-1.2 -0.898 13.2-164.0 -97.6 105.4 17.7 24.1 9.4 8 11 A L - 0 0 11 -2,-0.8 5,-0.2 134,-0.4 2,-0.1 -0.796 24.3-167.8 -92.2 90.9 14.3 24.1 11.2 9 12 A G - 0 0 9 -2,-1.2 59,-0.2 3,-0.2 4,-0.1 -0.369 35.1-120.9 -88.8 163.4 15.2 26.2 14.1 10 13 A T S S+ 0 0 17 1,-0.1 56,-0.6 -2,-0.1 58,-0.3 0.918 112.2 0.3 -62.7 -43.7 13.6 27.1 17.5 11 14 A T S S+ 0 0 14 1,-0.3 26,-2.0 54,-0.1 2,-0.4 0.680 138.6 30.5-114.7 -35.0 13.5 30.9 16.6 12 15 A Y E -E 36 0B 56 24,-0.3 -1,-0.3 25,-0.1 2,-0.3 -0.977 61.5-162.0-132.5 142.2 15.0 31.1 13.1 13 16 A S E -E 35 0B 0 22,-2.6 22,-2.6 -2,-0.4 2,-0.3 -0.858 8.2-169.7-118.0 156.6 15.1 28.7 10.2 14 17 A C E -B 7 0A 1 -7,-2.1 -7,-3.1 -2,-0.3 2,-0.4 -0.997 7.1-156.0-148.8 146.8 17.4 28.7 7.2 15 18 A V E +B 6 0A 3 11,-0.4 11,-2.4 18,-0.4 2,-0.3 -0.985 13.7 174.0-131.2 134.7 17.6 26.9 3.8 16 19 A G E -BC 5 25A 0 -11,-2.6 -11,-3.0 -2,-0.4 2,-0.4 -0.917 13.6-155.6-135.1 160.0 20.5 26.2 1.5 17 20 A V E - C 0 24A 0 7,-2.1 7,-2.4 -2,-0.3 2,-0.6 -0.998 15.2-135.1-138.8 137.6 21.2 24.2 -1.6 18 21 A F E + C 0 23A 73 -15,-0.5 2,-0.3 353,-0.5 5,-0.3 -0.844 37.8 155.1 -94.4 120.8 24.4 22.8 -3.0 19 22 A Q E > + C 0 22A 77 3,-3.2 3,-1.9 -2,-0.6 -2,-0.1 -0.993 61.6 3.8-148.2 137.3 25.0 23.5 -6.7 20 23 A H T 3 S- 0 0 143 -2,-0.3 -1,-0.1 1,-0.3 3,-0.1 0.897 127.1 -61.4 56.9 41.8 28.2 23.7 -8.8 21 24 A G T 3 S+ 0 0 57 1,-0.2 2,-0.4 -3,-0.1 -1,-0.3 0.378 121.0 102.5 69.2 -6.7 30.3 22.6 -5.8 22 25 A K E < -C 19 0A 145 -3,-1.9 -3,-3.2 2,-0.0 2,-0.3 -0.849 67.0-136.8-111.6 142.1 29.1 25.8 -4.0 23 26 A V E -C 18 0A 23 -2,-0.4 2,-0.4 -5,-0.3 -5,-0.3 -0.765 18.3-156.4 -93.9 146.6 26.5 25.9 -1.2 24 27 A E E -C 17 0A 77 -7,-2.4 -7,-2.1 -2,-0.3 2,-0.7 -0.987 10.0-148.7-130.8 122.9 24.0 28.7 -1.4 25 28 A I E -C 16 0A 11 -2,-0.4 2,-0.4 -9,-0.2 -9,-0.2 -0.840 28.3-134.0 -90.8 114.3 22.0 30.1 1.5 26 29 A I - 0 0 5 -11,-2.4 -11,-0.4 -2,-0.7 2,-0.2 -0.569 10.4-141.6 -77.9 124.0 18.7 31.2 0.0 27 30 A A - 0 0 46 -2,-0.4 6,-0.3 1,-0.1 5,-0.1 -0.523 20.9-126.7 -80.7 148.2 17.3 34.6 1.0 28 31 A N > - 0 0 14 4,-3.0 3,-1.9 -2,-0.2 -1,-0.1 -0.131 37.1 -78.6 -84.9-172.2 13.5 35.0 1.6 29 32 A D T 3 S+ 0 0 114 1,-0.3 -2,-0.1 2,-0.1 -1,-0.0 0.815 133.4 47.7 -56.8 -36.7 10.9 37.4 0.1 30 33 A Q T 3 S- 0 0 107 2,-0.1 -1,-0.3 1,-0.0 -3,-0.0 0.461 121.7-108.2 -85.3 -3.3 12.1 40.1 2.5 31 34 A G S < S+ 0 0 50 -3,-1.9 2,-0.2 1,-0.3 -2,-0.1 0.438 73.6 136.9 91.8 1.5 15.7 39.5 1.6 32 35 A N - 0 0 60 1,-0.1 -4,-3.0 -5,-0.1 -1,-0.3 -0.553 51.9-143.8 -82.4 146.6 16.7 37.8 4.9 33 36 A R S S+ 0 0 112 -6,-0.3 -18,-0.4 -2,-0.2 2,-0.3 0.508 89.5 36.9 -88.0 -5.4 18.9 34.7 4.9 34 37 A T S S- 0 0 15 -20,-0.1 -20,-0.2 -9,-0.1 -6,-0.1 -0.968 76.1-152.0-138.9 146.7 17.1 33.2 7.9 35 38 A T E -E 13 0B 6 -22,-2.6 -22,-2.6 -2,-0.3 14,-0.1 -0.988 25.8-101.5-127.1 139.5 13.3 33.5 8.6 36 39 A P E -E 12 0B 0 0, 0.0 2,-1.3 0, 0.0 -24,-0.3 -0.156 25.1-125.0 -54.0 144.8 11.5 33.4 11.9 37 40 A S + 0 0 13 -26,-2.0 30,-0.4 11,-0.1 2,-0.4 -0.388 67.8 134.7 -88.1 53.9 9.8 30.1 12.9 38 41 A Y - 0 0 18 -2,-1.3 11,-2.7 27,-0.1 2,-0.4 -0.876 35.8-175.4-111.9 141.6 6.5 32.1 13.4 39 42 A V E -FG 48 64C 0 25,-2.6 25,-3.4 -2,-0.4 2,-0.4 -0.999 7.6-172.2-134.4 128.1 3.0 31.4 12.3 40 43 A A E -FG 47 63C 0 7,-3.1 7,-3.2 -2,-0.4 2,-0.4 -0.966 8.9-157.6-125.2 140.5 0.1 33.8 12.8 41 44 A F E +F 46 0C 1 21,-2.2 5,-0.2 -2,-0.4 62,-0.2 -0.953 21.0 167.5-117.5 130.9 -3.6 33.3 12.2 42 45 A T - 0 0 30 3,-2.8 63,-2.9 -2,-0.4 17,-0.0 -0.619 52.0 -83.4-126.4-169.8 -5.9 36.3 11.6 43 46 A D S S+ 0 0 116 61,-0.2 64,-0.1 -2,-0.2 3,-0.1 0.886 127.0 21.9 -65.2 -39.4 -9.5 37.1 10.4 44 47 A T S S+ 0 0 106 1,-0.1 2,-0.3 61,-0.1 -1,-0.2 0.621 124.1 3.7-107.8 -13.9 -8.4 36.9 6.8 45 48 A E - 0 0 98 2,-0.0 -3,-2.8 0, 0.0 2,-0.5 -0.963 55.9-108.0-163.3 177.2 -5.2 34.9 6.6 46 49 A R E -F 41 0C 116 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.974 35.0-161.2-117.7 116.6 -2.4 32.7 7.8 47 50 A L E -F 40 0C 30 -7,-3.2 -7,-3.1 -2,-0.5 2,-0.4 -0.890 6.8-169.9-102.4 138.6 0.9 34.6 8.0 48 51 A I E > -F 39 0C 41 -2,-0.4 3,-0.6 -9,-0.2 2,-0.3 -0.985 48.2 -10.6-132.1 139.4 4.2 32.7 8.1 49 52 A G T 3> S+ 0 0 0 -11,-2.7 4,-2.1 -2,-0.4 3,-0.2 -0.618 125.5 0.1 86.1-134.3 7.8 33.9 8.7 50 53 A D H 3> S+ 0 0 18 -2,-0.3 4,-3.0 1,-0.2 -1,-0.2 0.923 131.7 55.6 -58.9 -49.1 8.7 37.6 8.8 51 54 A A H <4 S+ 0 0 49 -3,-0.6 -1,-0.2 1,-0.2 -2,-0.2 0.843 110.1 48.2 -53.8 -35.7 5.1 38.7 8.1 52 55 A A H >4 S+ 0 0 0 -14,-0.2 3,-1.1 -3,-0.2 -1,-0.2 0.936 113.8 44.1 -72.3 -45.1 4.0 36.7 11.1 53 56 A K H >< S+ 0 0 59 -4,-2.1 3,-1.1 1,-0.3 4,-0.3 0.827 101.7 69.9 -69.7 -29.5 6.7 38.1 13.5 54 57 A N T 3< S+ 0 0 106 -4,-3.0 -1,-0.3 1,-0.2 -2,-0.1 0.225 108.9 34.2 -73.7 16.0 6.1 41.6 12.2 55 58 A Q T X> S+ 0 0 28 -3,-1.1 3,-1.9 -5,-0.1 4,-1.6 0.304 76.4 113.0-152.1 12.9 2.7 41.6 13.9 56 59 A V T <4 S+ 0 0 17 -3,-1.1 7,-0.1 1,-0.3 6,-0.1 0.801 76.9 59.3 -60.0 -33.8 3.1 39.6 17.2 57 60 A A T 34 S+ 0 0 31 -4,-0.3 -1,-0.3 1,-0.2 201,-0.1 0.541 112.5 41.3 -73.0 -7.1 2.6 42.7 19.4 58 61 A M T <4 S+ 0 0 143 -3,-1.9 -2,-0.2 1,-0.1 -1,-0.2 0.643 126.2 30.2-110.7 -25.6 -0.8 43.1 17.7 59 62 A N >X + 0 0 25 -4,-1.6 3,-0.7 1,-0.1 4,-0.5 -0.371 68.7 152.0-134.6 58.5 -1.9 39.5 17.6 60 63 A P G >4 S+ 0 0 45 0, 0.0 3,-0.7 0, 0.0 -1,-0.1 0.860 73.5 47.5 -56.1 -46.5 -0.3 37.8 20.7 61 64 A T G 34 S+ 0 0 80 1,-0.2 29,-0.4 28,-0.1 -2,-0.0 0.720 118.7 41.2 -73.1 -19.1 -2.9 35.0 21.3 62 65 A N G <4 S+ 0 0 23 -3,-0.7 -21,-2.2 40,-0.1 2,-0.6 0.289 92.7 90.7-112.0 8.9 -3.0 34.0 17.6 63 66 A T E << -G 40 0C 0 -3,-0.7 2,-0.3 -4,-0.5 -23,-0.3 -0.933 64.0-157.8-108.5 110.6 0.7 34.2 16.8 64 67 A V E +G 39 0C 1 -25,-3.4 -25,-2.6 -2,-0.6 2,-0.3 -0.740 23.5 148.3 -94.0 139.9 2.4 30.8 17.4 65 68 A F + 0 0 24 -2,-0.3 -27,-0.1 -27,-0.2 -54,-0.1 -0.878 48.1 54.3-152.8 177.0 6.1 30.2 17.9 66 69 A D > + 0 0 15 -56,-0.6 3,-1.6 -29,-0.3 4,-0.5 0.700 57.3 145.7 60.3 24.8 8.4 27.8 19.9 67 70 A A G >> + 0 0 10 -30,-0.4 4,-2.5 1,-0.3 3,-1.3 0.801 63.8 67.5 -61.7 -27.4 6.7 24.8 18.2 68 71 A K G 34 S+ 0 0 23 -58,-0.3 -1,-0.3 1,-0.3 -58,-0.1 0.815 93.5 59.2 -63.5 -27.4 10.1 23.1 18.3 69 72 A R G <4 S+ 0 0 32 -3,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.717 113.5 36.8 -73.7 -19.5 9.7 23.0 22.1 70 73 A L T X4 S+ 0 0 2 -3,-1.3 3,-1.8 -4,-0.5 -2,-0.2 0.809 87.0 114.6 -97.2 -42.6 6.4 21.0 21.7 71 74 A I T 3< S+ 0 0 2 -4,-2.5 80,-0.1 1,-0.3 3,-0.1 0.063 87.6 3.6 -36.6 134.8 7.1 18.7 18.8 72 75 A G T 3 S+ 0 0 20 1,-0.2 -1,-0.3 78,-0.1 79,-0.2 0.583 109.2 113.4 59.9 16.7 7.3 14.9 19.5 73 76 A R < - 0 0 52 -3,-1.8 2,-0.2 77,-0.1 -1,-0.2 -0.682 63.5-118.2-117.2 164.3 6.3 15.5 23.1 74 77 A R > - 0 0 148 -2,-0.2 3,-1.1 23,-0.2 6,-0.3 -0.665 20.4-123.8 -98.6 158.9 3.4 14.7 25.4 75 78 A F T 3 S+ 0 0 33 21,-3.4 6,-0.2 1,-0.3 22,-0.1 0.869 112.2 59.0 -67.4 -36.8 1.1 17.2 27.2 76 79 A D T 3 S+ 0 0 81 20,-0.5 -1,-0.3 4,-0.1 2,-0.2 0.509 79.7 122.7 -71.4 -2.3 1.9 15.5 30.6 77 80 A D <> - 0 0 45 -3,-1.1 4,-2.5 1,-0.2 5,-0.2 -0.427 64.8-140.2 -66.0 127.0 5.5 16.4 29.9 78 81 A A H > S+ 0 0 72 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.858 104.4 58.7 -54.8 -37.2 7.0 18.5 32.7 79 82 A V H > S+ 0 0 55 1,-0.2 4,-3.2 2,-0.2 -1,-0.2 0.963 108.2 44.7 -56.1 -52.8 8.9 20.4 30.1 80 83 A V H > S+ 0 0 0 -6,-0.3 4,-2.9 1,-0.2 5,-0.2 0.910 110.6 53.5 -58.7 -48.0 5.6 21.3 28.4 81 84 A Q H X S+ 0 0 71 -4,-2.5 4,-0.6 2,-0.2 -1,-0.2 0.910 115.2 41.4 -55.2 -43.8 3.9 22.2 31.7 82 85 A S H >< S+ 0 0 72 -4,-2.5 3,-1.6 -5,-0.2 4,-0.2 0.991 115.6 49.5 -66.5 -59.4 6.7 24.6 32.5 83 86 A D H >< S+ 0 0 10 -4,-3.2 3,-2.7 1,-0.3 4,-0.3 0.883 102.9 58.3 -47.1 -55.2 7.0 26.0 29.0 84 87 A M H >< S+ 0 0 52 -4,-2.9 3,-1.2 1,-0.3 -1,-0.3 0.725 87.8 76.7 -54.9 -20.6 3.4 26.8 28.5 85 88 A K T << S+ 0 0 173 -3,-1.6 -1,-0.3 -4,-0.6 -2,-0.2 0.647 102.8 40.3 -64.6 -12.0 3.4 29.1 31.6 86 89 A H T < S+ 0 0 158 -3,-2.7 -1,-0.3 -4,-0.2 -2,-0.2 0.415 91.1 101.2-117.1 -0.5 5.2 31.6 29.4 87 90 A W < - 0 0 24 -3,-1.2 4,-0.1 -4,-0.3 -23,-0.0 -0.722 58.6-150.8 -90.8 134.4 3.4 31.3 26.0 88 91 A P S S+ 0 0 43 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.492 80.6 72.1 -77.5 -6.0 0.7 34.0 25.0 89 92 A F S S- 0 0 10 -24,-0.1 2,-0.3 -27,-0.1 -2,-0.1 -0.758 91.6-100.2-107.8 159.0 -1.1 31.3 23.0 90 93 A M E -H 101 0D 108 11,-0.9 11,-2.7 -29,-0.4 2,-0.5 -0.587 24.3-164.2 -86.0 141.3 -3.1 28.4 24.2 91 94 A V E -H 100 0D 17 -2,-0.3 2,-0.3 9,-0.3 9,-0.2 -0.989 15.6-171.3-122.5 117.2 -1.9 24.8 24.5 92 95 A V E -H 99 0D 30 7,-3.4 7,-2.5 -2,-0.5 2,-0.3 -0.785 22.6-116.2-111.5 154.9 -4.6 22.2 24.9 93 96 A N E -H 98 0D 84 -2,-0.3 2,-0.3 5,-0.2 -19,-0.0 -0.668 27.5-179.5 -87.4 145.4 -4.5 18.5 25.7 94 97 A D E > S-H 97 0D 66 3,-2.2 3,-1.9 -2,-0.3 -19,-0.1 -0.748 74.8 -37.3-149.5 91.7 -5.8 16.0 23.1 95 98 A A T 3 S- 0 0 104 1,-0.3 -2,-0.0 -2,-0.3 0, 0.0 0.824 123.2 -47.7 59.9 33.4 -5.7 12.4 24.1 96 99 A G T 3 S+ 0 0 14 1,-0.4 -21,-3.4 -22,-0.1 -20,-0.5 0.025 120.6 108.1 98.2 -27.6 -2.3 13.1 25.8 97 100 A R E < -H 94 0D 90 -3,-1.9 -3,-2.2 -23,-0.2 -1,-0.4 -0.594 69.4-124.6 -85.0 142.0 -0.9 15.0 22.8 98 101 A P E -H 93 0D 1 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.657 27.8-173.4 -86.6 145.4 -0.6 18.8 23.1 99 102 A K E -H 92 0D 25 -7,-2.5 -7,-3.4 -2,-0.3 2,-0.5 -0.987 23.4-125.5-136.8 146.6 -2.2 21.1 20.5 100 103 A V E -HI 91 111D 2 11,-2.7 11,-2.4 -2,-0.3 2,-0.6 -0.815 24.1-148.9 -94.2 128.8 -2.0 24.8 20.0 101 104 A Q E +HI 90 110D 66 -11,-2.7 -11,-0.9 -2,-0.5 2,-0.3 -0.887 26.2 160.5-105.3 119.4 -5.4 26.5 20.0 102 105 A V E - I 0 109D 4 7,-3.3 7,-3.2 -2,-0.6 2,-0.6 -0.815 39.8-116.2-128.6 171.0 -5.8 29.7 17.9 103 106 A E E - I 0 108D 92 -2,-0.3 2,-0.5 5,-0.2 5,-0.2 -0.936 33.0-179.2-113.8 110.4 -8.6 31.7 16.3 104 107 A Y E > - I 0 107D 22 3,-2.8 3,-2.1 -2,-0.6 -61,-0.2 -0.954 69.0 -15.0-114.4 128.1 -8.5 31.7 12.5 105 108 A K T 3 S- 0 0 117 -63,-2.9 -1,-0.2 -2,-0.5 -62,-0.2 0.916 127.7 -54.4 47.8 50.0 -11.1 33.6 10.5 106 109 A G T 3 S+ 0 0 43 -3,-0.2 2,-0.3 1,-0.2 -1,-0.3 0.191 119.6 106.9 75.0 -21.1 -13.4 33.9 13.5 107 110 A E E < S-I 104 0D 129 -3,-2.1 -3,-2.8 -64,-0.1 2,-0.5 -0.746 73.1-120.3 -97.0 141.4 -13.4 30.2 14.1 108 111 A T E +I 103 0D 85 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.651 40.7 171.2 -79.7 120.3 -11.5 28.4 16.9 109 112 A K E -I 102 0D 97 -7,-3.2 -7,-3.3 -2,-0.5 2,-0.3 -0.937 18.9-154.5-132.0 150.7 -9.0 25.9 15.5 110 113 A S E -I 101 0D 36 -2,-0.3 2,-0.3 -9,-0.3 -9,-0.2 -0.947 8.1-161.3-125.1 149.7 -6.2 23.8 17.1 111 114 A F E -I 100 0D 28 -11,-2.4 -11,-2.7 -2,-0.3 -2,-0.0 -0.953 21.3-121.2-132.4 147.5 -3.0 22.3 15.5 112 115 A Y >> - 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0 0 8 -3,-1.8 4,-1.8 1,-0.1 3,-0.7 -0.591 69.2-142.5 -72.8 122.2 28.8 38.9 19.6 341 344 A P H 3> S+ 0 0 37 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.881 98.1 53.4 -50.0 -47.7 32.4 40.1 20.1 342 345 A K H 3> S+ 0 0 68 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.813 107.6 51.8 -62.3 -31.6 32.5 39.5 23.9 343 346 A I H <> S+ 0 0 1 -3,-0.7 4,-2.1 -6,-0.2 -1,-0.2 0.893 110.4 48.3 -71.0 -41.3 31.3 35.9 23.4 344 347 A Q H X S+ 0 0 38 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.926 113.5 47.1 -64.7 -43.5 34.1 35.3 20.9 345 348 A K H X S+ 0 0 101 -4,-2.6 4,-3.1 1,-0.2 5,-0.3 0.983 111.6 51.1 -59.2 -57.4 36.7 36.9 23.2 346 349 A L H X S+ 0 0 31 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.828 113.2 43.6 -47.3 -47.1 35.5 34.9 26.2 347 350 A L H X S+ 0 0 0 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.875 114.2 50.0 -71.0 -40.2 35.6 31.5 24.4 348 351 A Q H <>S+ 0 0 67 -4,-2.2 5,-2.4 2,-0.2 6,-0.6 0.923 109.9 50.8 -64.7 -44.5 39.0 32.2 22.8 349 352 A D H ><5S+ 0 0 82 -4,-3.1 3,-1.5 3,-0.2 -2,-0.2 0.907 109.3 52.2 -59.2 -42.1 40.5 33.2 26.2 350 353 A F H 3<5S+ 0 0 29 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.877 110.9 45.8 -62.3 -41.2 39.1 30.0 27.7 351 354 A F T ><5S- 0 0 10 -4,-1.9 3,-2.0 3,-0.1 -1,-0.3 -0.085 121.5-111.4 -92.8 31.4 40.8 27.9 24.9 352 355 A N T < 5S- 0 0 127 -3,-1.5 -3,-0.2 1,-0.3 -2,-0.1 0.811 76.9 -40.0 39.9 56.4 43.9 30.0 25.5 353 356 A G T 3 > - 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