==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 07-JUN-99 1QQN . COMPND 2 MOLECULE: D206S MUTANT OF BOVINE 70 KILODALTON HEAT SHOCK . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR E.R.JOHNSON,D.B.MCKAY . 378 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16605.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 286 75.7 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 . 62 16.4 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 . 8 2.1 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 . 28 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 119 31.5 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 0 1 0 1 1 0 1 1 0 2 1 0 0 1 0 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 . 0 2 1 1 3 0 1 1 1 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 2 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 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 76 0, 0.0 2,-0.2 0, 0.0 134,-0.1 0.000 360.0 360.0 360.0 136.9 16.5 16.9 -7.0 2 5 A P - 0 0 40 0, 0.0 135,-0.4 0, 0.0 2,-0.3 0.549 360.0-148.5 -71.8 161.1 18.2 18.9 -5.9 3 6 A A - 0 0 4 15,-0.2 15,-0.6 -2,-0.2 2,-0.3 -0.693 12.6-140.7 -94.1 151.2 17.6 18.0 -2.3 4 7 A V E -Ab 17 139A 0 134,-2.3 136,-2.1 -2,-0.3 2,-0.5 -0.728 4.7-134.5-114.4 163.4 17.6 20.7 0.4 5 8 A G E -Ab 16 140A 0 11,-2.8 11,-2.6 -2,-0.3 2,-0.5 -0.971 23.3-167.7-115.7 125.5 18.9 21.0 4.0 6 9 A I E -Ab 15 141A 0 134,-2.8 136,-1.7 -2,-0.5 2,-0.8 -0.963 16.8-156.8-123.1 129.6 16.6 22.6 6.5 7 10 A D E -A 14 0A 19 7,-3.2 7,-1.8 -2,-0.5 2,-1.4 -0.889 12.6-161.7 -98.4 102.7 17.4 23.8 10.0 8 11 A L E -A 13 0A 8 -2,-0.8 5,-0.2 134,-0.5 2,-0.1 -0.719 24.7-168.6 -88.5 88.6 14.1 23.8 11.8 9 12 A G - 0 0 10 -2,-1.4 59,-0.2 3,-0.5 57,-0.1 -0.333 35.4-116.4 -85.0 162.7 15.0 26.0 14.7 10 13 A T S S+ 0 0 18 1,-0.1 56,-0.7 58,-0.1 58,-0.3 0.913 112.9 1.9 -57.0 -46.4 13.4 27.0 17.9 11 14 A T S S+ 0 0 9 1,-0.3 26,-2.8 54,-0.1 2,-0.3 0.692 136.8 28.3-115.6 -29.1 13.1 30.6 16.9 12 15 A Y E - C 0 36A 56 24,-0.3 -3,-0.5 25,-0.1 2,-0.3 -0.964 63.1-153.6-133.2 149.2 14.5 30.9 13.3 13 16 A S E -AC 8 35A 0 22,-3.1 22,-3.0 -2,-0.3 2,-0.3 -0.882 9.6-166.3-121.0 156.1 14.6 28.4 10.5 14 17 A C E -A 7 0A 0 -7,-1.8 -7,-3.2 -2,-0.3 2,-0.4 -1.000 4.1-160.5-145.1 140.8 17.1 28.2 7.6 15 18 A V E +A 6 0A 0 11,-0.4 11,-2.0 18,-0.3 2,-0.3 -0.974 10.9 177.4-127.3 139.1 17.3 26.4 4.3 16 19 A G E -AD 5 25A 0 -11,-2.6 -11,-2.8 -2,-0.4 2,-0.4 -0.923 13.3-156.8-135.0 160.4 20.2 25.6 2.0 17 20 A V E -AD 4 24A 0 7,-1.7 7,-2.8 -2,-0.3 2,-0.6 -0.998 15.0-138.1-140.4 134.6 20.9 23.8 -1.2 18 21 A F E + D 0 23A 67 -15,-0.6 2,-0.3 353,-0.5 5,-0.2 -0.846 34.5 158.0 -97.2 117.5 24.2 22.4 -2.4 19 22 A Q E > + D 0 22A 71 3,-3.0 3,-1.5 -2,-0.6 -2,-0.1 -0.997 61.7 2.8-142.1 138.8 24.9 22.9 -6.1 20 23 A H T 3 S- 0 0 174 -2,-0.3 -1,-0.1 1,-0.3 3,-0.1 0.913 129.3 -56.9 53.0 48.5 28.1 23.0 -8.0 21 24 A G T 3 S+ 0 0 59 1,-0.2 2,-0.4 -3,-0.1 -1,-0.3 0.588 120.8 100.1 62.7 12.8 30.2 22.1 -5.0 22 25 A K E < -D 19 0A 140 -3,-1.5 -3,-3.0 -5,-0.0 2,-0.4 -0.977 68.3-130.3-132.9 143.5 28.9 25.1 -3.1 23 26 A V E -D 18 0A 22 -2,-0.4 2,-0.6 -5,-0.2 -5,-0.2 -0.770 16.9-158.4 -92.9 133.0 26.1 25.6 -0.5 24 27 A E E -D 17 0A 75 -7,-2.8 -7,-1.7 -2,-0.4 2,-0.8 -0.954 6.9-151.2-111.6 114.0 23.6 28.4 -1.2 25 28 A I E -D 16 0A 5 -2,-0.6 2,-0.3 -9,-0.2 -9,-0.2 -0.810 29.3-130.8 -85.3 117.0 21.9 29.7 1.9 26 29 A I - 0 0 4 -11,-2.0 -11,-0.4 -2,-0.8 2,-0.2 -0.559 11.3-141.8 -80.2 127.5 18.6 30.8 0.4 27 30 A A - 0 0 45 -2,-0.3 6,-0.2 1,-0.1 8,-0.1 -0.591 19.7-130.5 -84.5 144.4 17.0 34.2 1.1 28 31 A N > - 0 0 11 4,-2.4 3,-2.5 -2,-0.2 -1,-0.1 -0.103 41.0 -76.3 -83.8-174.1 13.3 34.5 1.6 29 32 A D T 3 S+ 0 0 123 1,-0.3 -1,-0.1 2,-0.1 -2,-0.1 0.740 134.6 48.8 -56.0 -25.5 10.8 37.0 -0.1 30 33 A Q T 3 S- 0 0 105 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.383 121.7-106.4 -95.3 2.4 12.0 39.7 2.3 31 34 A G S < S+ 0 0 51 -3,-2.5 2,-0.4 1,-0.3 -2,-0.1 0.644 72.7 141.6 83.9 15.3 15.7 39.0 1.6 32 35 A N - 0 0 67 1,-0.1 -4,-2.4 -6,-0.0 -1,-0.3 -0.780 47.3-150.8 -97.0 134.5 16.4 37.3 4.9 33 36 A R S S+ 0 0 110 -2,-0.4 -18,-0.3 -6,-0.2 2,-0.3 0.516 86.4 41.3 -79.1 -7.2 18.7 34.3 5.1 34 37 A T S S- 0 0 12 -20,-0.1 -20,-0.2 -9,-0.1 -6,-0.2 -0.962 75.8-147.6-136.2 151.2 16.8 32.9 8.1 35 38 A T E -C 13 0A 2 -22,-3.0 -22,-3.1 -2,-0.3 14,-0.1 -0.984 25.5-106.1-126.9 130.3 13.0 32.9 8.8 36 39 A P E -C 12 0A 2 0, 0.0 2,-2.1 0, 0.0 -24,-0.3 -0.204 24.8-129.0 -52.4 133.8 11.2 33.2 12.1 37 40 A S + 0 0 13 -26,-2.8 30,-0.4 11,-0.1 29,-0.3 -0.380 69.2 128.8 -82.0 59.1 9.7 29.8 13.2 38 41 A Y - 0 0 6 -2,-2.1 11,-2.5 27,-0.1 2,-0.3 -0.879 39.8-174.9-119.6 150.0 6.4 31.7 13.7 39 42 A V E -FG 48 64B 0 25,-2.2 25,-3.6 -2,-0.3 2,-0.3 -0.992 9.8-168.1-142.0 131.4 2.8 31.1 12.6 40 43 A A E -FG 47 63B 0 7,-3.0 7,-3.1 -2,-0.3 2,-0.4 -0.928 7.3-156.0-124.6 150.3 -0.1 33.6 13.2 41 44 A F E +F 46 0B 0 21,-1.9 2,-0.2 -2,-0.3 5,-0.2 -0.977 18.5 169.1-125.4 135.6 -3.8 33.2 12.8 42 45 A T - 0 0 32 3,-2.3 63,-2.2 -2,-0.4 64,-0.1 -0.750 53.0 -83.3-134.5-178.5 -6.2 36.1 12.2 43 46 A D S S+ 0 0 128 -2,-0.2 61,-0.1 61,-0.2 3,-0.1 0.756 126.7 16.2 -60.0 -24.6 -9.9 36.7 11.2 44 47 A T S S+ 0 0 105 1,-0.2 2,-0.3 61,-0.1 -1,-0.2 0.585 121.8 31.4-125.7 -17.6 -9.0 36.3 7.6 45 48 A E - 0 0 102 2,-0.0 -3,-2.3 0, 0.0 2,-0.5 -0.932 54.4-129.4-147.7 169.1 -5.6 34.7 7.1 46 49 A R E -F 41 0B 98 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.979 31.3-162.0-115.1 124.2 -2.8 32.4 8.2 47 50 A L E -F 40 0B 30 -7,-3.1 -7,-3.0 -2,-0.5 2,-0.3 -0.876 6.3-170.6-113.4 142.5 0.7 34.0 8.4 48 51 A I E > -F 39 0B 34 -2,-0.4 3,-0.8 -9,-0.2 -9,-0.2 -0.973 50.2 -15.5-131.5 145.9 4.0 32.2 8.4 49 52 A G T >> S+ 0 0 0 -11,-2.5 4,-2.5 -2,-0.3 3,-0.6 -0.417 126.6 1.4 71.0-137.5 7.6 33.5 9.0 50 53 A D H 3> S+ 0 0 19 1,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.888 132.1 56.1 -52.7 -46.1 8.4 37.2 8.8 51 54 A A H <> S+ 0 0 48 -3,-0.8 4,-0.6 1,-0.2 -1,-0.3 0.863 111.5 45.0 -55.2 -38.5 4.7 38.1 8.1 52 55 A A H X4 S+ 0 0 0 -3,-0.6 3,-0.8 -14,-0.2 -2,-0.2 0.931 114.8 44.5 -74.0 -47.6 3.7 36.3 11.3 53 56 A K H >< S+ 0 0 27 -4,-2.5 3,-1.2 1,-0.2 4,-0.3 0.820 103.7 66.1 -70.2 -26.6 6.4 37.7 13.6 54 57 A N H 3< S+ 0 0 128 -4,-2.7 -1,-0.2 -5,-0.3 3,-0.2 0.792 109.2 37.5 -64.4 -25.7 5.9 41.2 12.3 55 58 A Q T XX S+ 0 0 26 -3,-0.8 4,-1.5 -4,-0.6 3,-0.9 0.238 83.5 106.7-109.6 15.0 2.4 41.3 13.8 56 59 A V T <4 S+ 0 0 12 -3,-1.2 -1,-0.1 1,-0.2 7,-0.1 0.837 73.6 61.1 -60.6 -34.4 3.2 39.4 17.0 57 60 A A T 34 S+ 0 0 22 -4,-0.3 -1,-0.2 -3,-0.2 201,-0.2 0.764 112.5 35.1 -66.0 -27.8 3.0 42.6 19.1 58 61 A M T <4 S+ 0 0 141 -3,-0.9 -1,-0.2 1,-0.2 -2,-0.2 0.635 126.1 39.0-100.4 -18.2 -0.7 43.2 18.2 59 62 A N < + 0 0 24 -4,-1.5 3,-0.4 1,-0.1 4,-0.3 -0.481 64.6 149.0-132.3 62.6 -1.8 39.6 18.0 60 63 A P > + 0 0 46 0, 0.0 3,-0.6 0, 0.0 -1,-0.1 0.820 69.7 57.3 -64.4 -34.7 -0.1 37.8 20.9 61 64 A T T 3 S+ 0 0 75 1,-0.2 29,-0.4 -3,-0.1 -2,-0.1 0.789 115.1 33.1 -71.6 -29.4 -2.8 35.3 21.6 62 65 A N T 3 S+ 0 0 25 -3,-0.4 -21,-1.9 27,-0.1 2,-0.6 0.177 93.9 96.6-114.7 17.3 -3.0 33.8 18.1 63 66 A T E < -G 40 0B 0 -3,-0.6 2,-0.4 -4,-0.3 -23,-0.3 -0.943 62.4-156.8-108.3 114.3 0.7 34.0 17.1 64 67 A V E +G 39 0B 1 -25,-3.6 -25,-2.2 -2,-0.6 2,-0.3 -0.757 24.5 149.2 -99.0 138.1 2.4 30.7 17.7 65 68 A F + 0 0 30 -2,-0.4 -27,-0.1 -27,-0.2 -54,-0.1 -0.861 50.8 52.3-148.6 177.4 6.1 30.2 18.3 66 69 A D > + 0 0 13 -56,-0.7 3,-1.8 -29,-0.3 4,-0.4 0.710 57.2 145.6 60.2 23.0 8.2 27.7 20.3 67 70 A A G >> + 0 0 9 -30,-0.4 4,-1.9 1,-0.3 3,-1.3 0.805 64.6 66.9 -59.6 -27.8 6.5 24.7 18.7 68 71 A K G 34 S+ 0 0 20 -58,-0.3 -1,-0.3 1,-0.3 -58,-0.1 0.701 90.8 62.0 -67.0 -19.7 9.8 22.9 18.9 69 72 A R G <4 S+ 0 0 30 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.696 113.5 35.5 -77.9 -18.7 9.6 22.9 22.7 70 73 A L T X4 S+ 0 0 2 -3,-1.3 3,-2.2 -4,-0.4 -2,-0.2 0.682 87.3 117.8-103.4 -28.0 6.4 20.8 22.5 71 74 A I T 3< S+ 0 0 1 -4,-1.9 3,-0.1 1,-0.3 84,-0.1 -0.146 86.9 3.8 -53.0 129.2 7.1 18.6 19.5 72 75 A G T 3 S+ 0 0 14 1,-0.2 -1,-0.3 78,-0.1 2,-0.2 0.461 105.9 118.3 76.3 3.3 7.2 14.9 20.3 73 76 A R < - 0 0 67 -3,-2.2 -1,-0.2 77,-0.1 2,-0.2 -0.673 62.4-120.4-105.2 157.1 6.2 15.4 24.0 74 77 A A > - 0 0 53 -2,-0.2 3,-1.5 23,-0.2 23,-0.2 -0.553 26.9-117.9 -87.9 156.0 3.2 14.3 26.1 75 78 A F T 3 S+ 0 0 35 21,-2.4 6,-0.2 1,-0.3 22,-0.1 0.874 115.2 57.3 -61.2 -37.6 1.0 16.9 27.8 76 79 A D T 3 S+ 0 0 131 20,-0.4 -1,-0.3 4,-0.1 2,-0.1 0.506 78.2 126.1 -72.1 -3.9 1.9 15.5 31.2 77 80 A D <> - 0 0 42 -3,-1.5 4,-2.6 1,-0.1 3,-0.3 -0.365 64.8-135.1 -59.1 128.0 5.6 16.2 30.4 78 81 A A H > S+ 0 0 71 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.857 104.6 50.1 -54.6 -39.4 7.0 18.4 33.2 79 82 A V H > S+ 0 0 53 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.879 109.6 51.8 -69.4 -34.7 8.7 20.7 30.7 80 83 A V H > S+ 0 0 0 -3,-0.3 4,-2.3 -6,-0.2 -2,-0.2 0.965 109.6 49.5 -63.7 -49.6 5.5 21.1 28.8 81 84 A Q H X S+ 0 0 71 -4,-2.6 4,-0.5 1,-0.2 -1,-0.2 0.832 115.2 44.3 -58.0 -35.8 3.7 22.0 32.0 82 85 A S H >< S+ 0 0 64 -4,-1.8 3,-0.9 -5,-0.2 4,-0.4 0.930 112.4 49.8 -74.7 -49.0 6.3 24.6 32.9 83 86 A D H >X S+ 0 0 8 -4,-2.9 3,-1.9 1,-0.2 4,-0.7 0.863 99.2 67.7 -58.5 -38.5 6.7 26.2 29.4 84 87 A M H >< S+ 0 0 33 -4,-2.3 3,-0.7 1,-0.3 -1,-0.2 0.792 90.6 62.1 -51.7 -36.5 2.9 26.7 29.0 85 88 A K T << S+ 0 0 172 -3,-0.9 -1,-0.3 -4,-0.5 -2,-0.2 0.737 104.6 49.0 -64.8 -22.0 2.8 29.3 31.8 86 89 A H T <4 S+ 0 0 150 -3,-1.9 -1,-0.2 -4,-0.4 -2,-0.2 0.599 91.0 90.8 -95.5 -13.4 5.0 31.5 29.8 87 90 A W << - 0 0 21 -4,-0.7 4,-0.1 -3,-0.7 -23,-0.0 -0.680 64.8-146.2 -91.4 139.7 3.3 31.5 26.4 88 91 A P S S+ 0 0 59 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.596 83.1 72.9 -72.3 -14.8 0.6 34.0 25.4 89 92 A F S S- 0 0 8 -26,-0.1 2,-0.3 -24,-0.1 -2,-0.1 -0.621 89.9-102.4-100.7 162.3 -1.2 31.3 23.4 90 93 A M E -H 101 0C 99 11,-1.0 11,-2.5 -29,-0.4 2,-0.5 -0.618 23.2-164.4 -88.6 143.1 -3.2 28.3 24.7 91 94 A V E -H 100 0C 21 -2,-0.3 9,-0.2 9,-0.3 2,-0.2 -0.995 17.1-171.5-124.2 122.6 -1.9 24.7 24.9 92 95 A V E -H 99 0C 33 7,-3.2 7,-1.6 -2,-0.5 2,-0.6 -0.708 22.8-113.8-114.4 165.4 -4.7 22.1 25.5 93 96 A N E +H 98 0C 82 -2,-0.2 2,-0.5 5,-0.2 -19,-0.0 -0.879 28.3 176.8-105.0 123.4 -4.7 18.4 26.2 94 97 A D E > S-H 97 0C 67 3,-2.4 3,-1.4 -2,-0.6 -19,-0.1 -0.897 76.8 -33.0-126.4 100.5 -6.1 16.0 23.6 95 98 A A T 3 S- 0 0 104 -2,-0.5 -1,-0.1 1,-0.3 -2,-0.0 0.799 124.0 -48.7 60.9 29.4 -5.9 12.3 24.6 96 99 A G T 3 S+ 0 0 31 1,-0.3 -21,-2.4 -22,-0.1 -20,-0.4 0.454 118.7 106.2 92.6 0.3 -2.7 13.0 26.5 97 100 A A E < -H 94 0C 33 -3,-1.4 -3,-2.4 -23,-0.2 -1,-0.3 -0.929 69.9-116.9-116.8 137.7 -1.0 15.0 23.7 98 101 A P E +H 93 0C 2 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.419 31.6 177.6 -71.9 145.6 -0.4 18.8 23.6 99 102 A K E -H 92 0C 18 -7,-1.6 -7,-3.2 13,-0.2 2,-0.4 -0.988 28.4-124.5-145.1 138.0 -2.0 21.0 21.0 100 103 A V E -HI 91 111C 1 11,-2.3 11,-2.1 -2,-0.3 2,-0.5 -0.709 26.1-150.1 -85.3 136.9 -1.9 24.8 20.6 101 104 A Q E +HI 90 110C 53 -11,-2.5 -11,-1.0 -2,-0.4 2,-0.3 -0.931 25.8 156.6-112.0 127.3 -5.3 26.3 20.4 102 105 A V E - I 0 109C 3 7,-2.7 7,-3.0 -2,-0.5 2,-0.5 -0.851 41.9-106.4-138.7 173.3 -6.0 29.5 18.5 103 106 A E E + I 0 108C 73 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.905 37.2 173.5-105.3 132.9 -8.8 31.5 16.8 104 107 A Y E > - I 0 107C 31 3,-2.7 3,-2.4 -2,-0.5 -61,-0.2 -0.986 69.3 -10.3-141.4 127.7 -8.8 31.4 13.0 105 108 A K T 3 S- 0 0 99 -63,-2.2 -62,-0.2 -2,-0.4 3,-0.1 0.866 129.1 -56.1 49.5 40.5 -11.5 32.9 10.8 106 109 A G T 3 S+ 0 0 42 1,-0.2 2,-0.3 -64,-0.1 -1,-0.3 0.470 118.9 102.6 74.7 2.1 -13.7 33.4 13.9 107 110 A E E < S-I 104 0C 124 -3,-2.4 -3,-2.7 -64,-0.0 2,-0.4 -0.887 73.7-114.4-119.9 150.7 -13.5 29.7 14.9 108 111 A T E +I 103 0C 77 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.666 41.1 172.5 -82.9 132.8 -11.5 27.9 17.6 109 112 A K E -I 102 0C 73 -7,-3.0 -7,-2.7 -2,-0.4 2,-0.4 -0.950 19.5-153.0-139.2 156.7 -8.9 25.4 16.3 110 113 A S E -I 101 0C 39 -2,-0.3 2,-0.4 -9,-0.2 -9,-0.2 -0.980 8.2-166.4-131.9 145.5 -6.1 23.3 17.6 111 114 A F E -I 100 0C 20 -11,-2.1 -11,-2.3 -2,-0.4 -2,-0.0 -0.987 22.1-121.5-133.1 142.1 -2.9 22.0 16.0 112 115 A Y >> - 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0 0 74 -2,-0.5 2,-0.7 -6,-0.3 -7,-0.2 -0.611 6.6-141.7 -84.1 145.9 8.5 58.6 20.8 290 293 A F E +N 281 0E 7 -9,-2.7 -9,-2.9 -2,-0.2 2,-0.6 -0.907 26.0 169.3-114.1 105.7 11.5 56.9 22.3 291 294 A Y E +N 280 0E 129 -2,-0.7 -11,-0.2 -11,-0.2 2,-0.2 -0.954 26.1 116.8-118.0 109.7 14.8 58.0 20.7 292 295 A T E -N 279 0E 29 -13,-2.9 -13,-2.8 -2,-0.6 2,-0.3 -0.744 42.5-134.0-150.7-164.8 17.9 56.8 22.5 293 296 A S E -N 278 0E 67 -15,-0.3 2,-0.3 -2,-0.2 -15,-0.2 -0.962 4.1-151.7-157.3 170.0 21.1 54.7 22.1 294 297 A I E -N 277 0E 5 -17,-2.2 -17,-2.1 -2,-0.3 2,-0.2 -0.993 15.4-130.7-150.9 145.0 23.2 52.0 23.9 295 298 A T E > -N 276 0E 66 -2,-0.3 4,-2.9 -19,-0.2 -19,-0.3 -0.597 22.6-120.6 -97.3 158.9 26.8 51.1 23.8 296 299 A R H > S+ 0 0 54 -21,-2.7 4,-3.0 1,-0.2 5,-0.2 0.927 116.2 55.4 -59.6 -44.2 28.4 47.6 23.3 297 300 A A H > S+ 0 0 64 -22,-0.4 4,-1.9 1,-0.2 -1,-0.2 0.910 110.8 43.1 -55.9 -46.8 30.0 48.1 26.7 298 301 A R H > S+ 0 0 90 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.923 112.1 54.0 -67.1 -42.2 26.7 48.8 28.4 299 302 A F H X S+ 0 0 4 -4,-2.9 4,-0.8 1,-0.2 -2,-0.2 0.927 109.9 48.3 -55.9 -45.9 25.1 45.9 26.5 300 303 A E H X S+ 0 0 42 -4,-3.0 4,-0.5 1,-0.2 3,-0.5 0.873 110.2 51.4 -64.0 -39.0 27.8 43.5 27.7 301 304 A E H >< S+ 0 0 127 -4,-1.9 3,-1.0 1,-0.2 4,-0.3 0.918 104.6 55.4 -65.5 -43.3 27.4 44.7 31.3 302 305 A L H 3< S+ 0 0 33 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.734 122.0 31.0 -60.6 -21.4 23.6 44.2 31.3 303 306 A N H 3X S+ 0 0 0 -4,-0.8 4,-2.8 -3,-0.5 3,-0.3 0.266 81.8 118.0-120.6 9.4 24.4 40.6 30.3 304 307 A A H S+ 0 0 93 -4,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.898 113.7 47.7 -68.0 -41.5 26.4 37.1 34.2 306 309 A L H > S+ 0 0 36 -3,-0.3 4,-0.6 2,-0.2 -2,-0.2 0.913 114.1 47.5 -66.3 -43.3 24.6 35.3 31.4 307 310 A F H >< S+ 0 0 1 -4,-2.8 3,-1.6 1,-0.2 4,-0.2 0.967 114.0 45.5 -61.9 -54.1 27.6 35.5 29.0 308 311 A R H >< S+ 0 0 157 -4,-2.4 3,-1.6 1,-0.3 4,-0.2 0.833 104.2 64.9 -59.6 -33.7 30.1 34.3 31.6 309 312 A G H >< S+ 0 0 27 -4,-2.0 3,-1.3 1,-0.3 -1,-0.3 0.680 81.4 78.1 -65.2 -17.0 27.7 31.5 32.6 310 313 A T T S+ 0 0 21 -3,-1.6 4,-2.0 -4,-0.2 -1,-0.2 0.729 85.7 67.7 -77.4 -21.8 31.3 28.5 30.3 312 315 A D H <> S+ 0 0 108 -3,-1.3 4,-2.5 -4,-0.2 3,-0.3 0.965 100.0 48.0 -63.2 -51.3 29.9 26.2 32.9 313 316 A P H > S+ 0 0 20 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.832 109.2 57.1 -58.2 -28.3 28.2 23.9 30.4 314 317 A V H X S+ 0 0 0 -4,-0.7 4,-1.8 2,-0.2 -2,-0.2 0.917 108.7 43.9 -67.8 -43.4 31.5 23.9 28.5 315 318 A E H X S+ 0 0 89 -4,-2.0 4,-2.4 -3,-0.3 -1,-0.2 0.901 114.5 50.0 -67.0 -41.5 33.4 22.5 31.5 316 319 A K H X S+ 0 0 99 -4,-2.5 4,-3.1 2,-0.2 5,-0.2 0.914 108.6 51.6 -64.2 -43.4 30.7 20.0 32.3 317 320 A A H X S+ 0 0 0 -4,-2.4 4,-1.7 -5,-0.2 -1,-0.2 0.917 112.0 47.0 -59.4 -44.6 30.7 18.7 28.7 318 321 A L H X>S+ 0 0 9 -4,-1.8 5,-2.9 2,-0.2 4,-0.5 0.905 112.4 50.5 -62.5 -43.5 34.5 18.3 28.7 319 322 A R H ><5S+ 0 0 151 -4,-2.4 3,-1.2 1,-0.2 -2,-0.2 0.954 112.1 45.9 -60.9 -50.0 34.2 16.5 32.1 320 323 A D H 3<5S+ 0 0 74 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.775 112.5 50.2 -66.6 -25.4 31.5 14.1 30.9 321 324 A A H 3<5S- 0 0 9 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.518 112.1-125.0 -86.9 -5.7 33.4 13.4 27.7 322 325 A K T <<5 + 0 0 183 -3,-1.2 2,-0.3 -4,-0.5 -3,-0.2 0.946 66.7 130.4 60.1 50.8 36.4 12.7 29.9 323 326 A L < - 0 0 26 -5,-2.9 2,-0.3 -6,-0.1 -1,-0.2 -0.957 53.0-134.4-134.8 152.0 38.5 15.3 27.9 324 327 A D > - 0 0 92 -2,-0.3 3,-2.3 -3,-0.1 4,-0.4 -0.703 35.7-105.0-101.7 155.9 40.7 18.2 28.8 325 328 A K G > S+ 0 0 64 1,-0.3 3,-1.8 -2,-0.3 -1,-0.1 0.879 121.2 58.0 -42.7 -48.7 40.5 21.6 27.0 326 329 A S G 3 S+ 0 0 98 1,-0.3 -1,-0.3 3,-0.0 25,-0.0 0.689 95.2 63.9 -58.4 -24.2 43.7 20.7 25.2 327 330 A Q G < S+ 0 0 90 -3,-2.3 2,-0.6 -137,-0.0 -136,-0.4 0.523 77.2 101.6 -82.2 -4.9 42.2 17.6 23.7 328 331 A I < - 0 0 5 -3,-1.8 -136,-0.2 -4,-0.4 3,-0.1 -0.719 50.3-172.9 -82.6 117.4 39.6 19.6 21.7 329 332 A H + 0 0 71 -138,-2.3 2,-0.4 -2,-0.6 -137,-0.2 0.895 67.2 18.0 -77.5 -43.0 40.7 19.8 18.0 330 333 A D E -k 192 0D 43 -139,-1.4 -137,-3.2 24,-0.0 2,-0.5 -0.987 57.4-157.1-135.9 145.1 38.0 22.2 16.7 331 334 A I E -k 193 0D 0 24,-0.4 26,-3.0 -2,-0.4 2,-0.5 -0.985 17.4-163.8-119.2 119.4 35.6 24.6 18.2 332 335 A V E -km 194 357D 0 -139,-2.9 -137,-2.6 -2,-0.5 2,-0.5 -0.901 9.5-143.7-111.0 130.3 32.6 25.4 16.1 333 336 A L E +k 195 0D 1 24,-2.0 2,-0.3 -2,-0.5 -137,-0.2 -0.791 25.0 169.4 -93.8 127.5 30.3 28.4 16.6 334 337 A V E +k 196 0D 4 -139,-2.4 -137,-2.2 -2,-0.5 29,-0.2 -0.968 38.5 53.3-132.9 148.0 26.6 27.9 15.9 335 338 A G S > S- 0 0 6 27,-2.1 3,-1.9 -2,-0.3 28,-0.3 0.293 81.9-101.8 100.0 132.3 23.7 30.2 16.8 336 339 A G G > S+ 0 0 32 1,-0.3 3,-1.4 26,-0.2 -138,-0.2 0.797 118.0 63.9 -55.7 -30.6 23.2 33.8 16.0 337 340 A S G > S+ 0 0 8 -140,-1.4 3,-1.6 1,-0.3 -1,-0.3 0.691 84.0 73.3 -69.5 -18.8 24.2 34.8 19.5 338 341 A T G < S+ 0 0 0 -3,-1.9 -1,-0.3 -141,-0.6 -2,-0.2 0.516 81.3 75.2 -73.4 -0.5 27.7 33.4 19.1 339 342 A R G < + 0 0 95 -3,-1.4 -1,-0.3 -4,-0.2 -2,-0.2 0.593 67.7 111.1 -84.6 -10.7 28.4 36.5 16.9 340 343 A I X> - 0 0 4 -3,-1.6 4,-1.9 1,-0.2 3,-1.0 -0.516 68.6-142.0 -68.0 118.4 28.6 38.5 20.1 341 344 A P H 3> S+ 0 0 40 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.848 98.4 54.0 -48.4 -44.3 32.2 39.7 20.5 342 345 A K H 3> S+ 0 0 67 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.817 107.0 51.1 -64.9 -32.2 32.2 39.3 24.2 343 346 A I H <> S+ 0 0 1 -3,-1.0 4,-2.4 2,-0.2 5,-0.3 0.893 109.3 50.4 -72.5 -38.5 31.0 35.7 24.0 344 347 A Q H X S+ 0 0 37 -4,-1.9 4,-2.7 2,-0.2 5,-0.2 0.896 110.3 50.9 -64.8 -37.4 33.7 34.9 21.5 345 348 A K H X S+ 0 0 108 -4,-2.1 4,-3.7 -5,-0.2 5,-0.3 0.944 110.8 48.2 -64.5 -48.0 36.3 36.4 23.9 346 349 A L H X S+ 0 0 11 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.936 116.5 41.6 -56.4 -52.0 35.0 34.4 26.9 347 350 A L H X S+ 0 0 1 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.930 118.1 47.2 -62.8 -46.8 35.0 31.1 25.0 348 351 A Q H <>S+ 0 0 46 -4,-2.7 5,-2.2 -5,-0.3 6,-0.5 0.937 112.6 48.5 -62.0 -47.3 38.4 31.9 23.3 349 352 A D H ><5S+ 0 0 83 -4,-3.7 3,-1.9 1,-0.2 -1,-0.2 0.919 108.4 55.1 -60.1 -41.7 39.9 33.0 26.6 350 353 A F H 3<5S+ 0 0 28 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.890 109.4 47.1 -58.0 -39.1 38.6 29.8 28.2 351 354 A F T ><5S- 0 0 11 -4,-1.9 3,-1.6 3,-0.2 -1,-0.3 0.056 119.7-112.7 -92.0 25.9 40.4 27.8 25.5 352 355 A N T < 5S- 0 0 129 -3,-1.9 -3,-0.2 1,-0.3 -2,-0.1 0.829 77.5 -39.9 47.5 47.9 43.6 29.8 26.0 353 356 A G T 3 > - 0 0 53 -2,-0.5 3,-2.5 1,-0.2 4,-1.3 -0.268 31.7-136.3 -48.4 122.2 27.3 32.5 9.8 362 365 A P T 34 S+ 0 0 5 0, 0.0 -27,-2.1 0, 0.0 4,-0.5 0.799 104.4 54.5 -51.7 -37.1 26.5 30.7 13.0 363 366 A D T 34 S+ 0 0 33 -28,-0.3 4,-0.1 -29,-0.2 -27,-0.1 0.404 115.4 41.0 -80.7 5.0 22.8 31.0 12.4 364 367 A E T <> S+ 0 0 9 -3,-2.5 4,-2.6 -29,-0.1 -1,-0.2 0.510 88.1 90.9-123.8 -16.0 23.4 29.3 9.0 365 368 A A H X S+ 0 0 0 -4,-1.3 4,-2.4 1,-0.2 -186,-0.2 0.832 87.2 49.2 -53.0 -43.7 25.9 26.6 9.9 366 369 A V H > S+ 0 0 3 -4,-0.5 4,-2.3 2,-0.2 -1,-0.2 0.941 114.4 44.1 -65.2 -48.2 23.3 23.9 10.7 367 370 A A H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -351,-0.3 0.899 111.0 57.3 -62.1 -39.2 21.4 24.5 7.4 368 371 A Y H X S+ 0 0 69 -4,-2.6 4,-1.5 1,-0.2 -2,-0.2 0.954 110.8 41.4 -56.9 -53.2 24.7 24.6 5.6 369 372 A G H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.861 111.6 55.0 -64.4 -37.9 25.8 21.2 6.8 370 373 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.859 106.3 53.2 -63.7 -34.8 22.3 19.7 6.2 371 374 A A H X S+ 0 0 0 -4,-2.2 4,-1.6 -366,-0.2 -353,-0.5 0.878 108.5 49.4 -67.1 -40.1 22.4 20.9 2.6 372 375 A V H X S+ 0 0 26 -4,-1.5 4,-1.7 2,-0.2 -2,-0.2 0.922 114.1 44.8 -64.6 -45.1 25.8 19.1 2.1 373 376 A Q H X S+ 0 0 29 -4,-2.3 4,-2.7 1,-0.2 5,-0.2 0.874 108.3 57.7 -68.4 -36.2 24.5 15.9 3.6 374 377 A A H X S+ 0 0 0 -4,-2.3 4,-1.1 1,-0.2 -1,-0.2 0.896 106.9 48.5 -60.8 -40.5 21.2 16.1 1.6 375 378 A A H < S+ 0 0 29 -4,-1.6 -1,-0.2 2,-0.2 -2,-0.2 0.904 111.7 50.2 -65.9 -42.0 23.2 16.2 -1.7 376 379 A I H < S+ 0 0 103 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.913 113.6 43.6 -62.5 -45.5 25.2 13.2 -0.5 377 380 A L H < 0 0 46 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.671 360.0 360.0 -74.4 -16.7 22.2 11.2 0.4 378 381 A S < 0 0 100 -4,-1.1 -2,-0.2 -5,-0.2 -1,-0.2 0.956 360.0 360.0 -82.6 360.0 20.5 12.3 -2.8