==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 25-MAY-99 1QHP . COMPND 2 MOLECULE: ALPHA-AMYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: GEOBACILLUS STEAROTHERMOPHILUS; . AUTHOR Z.DAUTER,M.DAUTER,A.M.BRZOZOWSKI,S.CHRISTENSEN,T.V.BORCHERT, . 686 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22652.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 440 64.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 49 7.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 124 18.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 1.2 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 . 1 0.1 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 . 50 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 70 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 112 16.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.0 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 1 2 1 0 0 1 1 0 2 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 3 1 4 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 PARALLEL BRIDGES PER LADDER . 5 4 7 2 3 3 0 2 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 . 1 2 5 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 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 S > 0 0 25 0, 0.0 3,-1.0 0, 0.0 4,-0.3 0.000 360.0 360.0 360.0-178.0 11.0 55.5 37.9 2 2 A S T 3 + 0 0 51 1,-0.2 3,-0.5 2,-0.1 121,-0.1 0.686 360.0 72.9 -77.3 -9.1 14.6 55.0 39.2 3 3 A S T 3 S+ 0 0 2 1,-0.2 -1,-0.2 3,-0.1 246,-0.0 0.707 80.4 72.1 -73.0 -24.8 15.9 57.5 36.6 4 4 A A S < S+ 0 0 1 -3,-1.0 2,-0.4 501,-0.1 -1,-0.2 0.853 102.5 31.7 -64.2 -39.2 14.4 60.6 38.4 5 5 A S - 0 0 13 -3,-0.5 3,-0.1 -4,-0.3 -1,-0.1 -0.966 47.6-178.6-124.7 138.7 16.8 60.7 41.3 6 6 A V > + 0 0 4 -2,-0.4 3,-2.0 1,-0.1 61,-0.1 0.097 52.0 116.2-116.0 18.8 20.4 59.7 41.6 7 7 A K T 3 S+ 0 0 2 1,-0.3 -1,-0.1 349,-0.1 348,-0.0 0.799 80.1 45.1 -59.2 -26.8 20.8 60.6 45.3 8 8 A G T 3 S+ 0 0 12 -3,-0.1 -1,-0.3 392,-0.1 2,-0.2 0.296 105.4 90.9 -98.0 10.1 21.4 56.9 46.2 9 9 A D < - 0 0 17 -3,-2.0 2,-0.5 390,-0.1 57,-0.1 -0.558 65.9-138.2-107.6 165.7 23.9 56.4 43.3 10 10 A V - 0 0 1 55,-0.3 57,-2.4 -2,-0.2 58,-1.8 -0.996 25.9-147.7-114.5 122.5 27.6 56.7 42.5 11 11 A I E -ab 68 358A 1 346,-2.8 348,-3.0 -2,-0.5 2,-0.5 -0.716 7.9-161.1 -90.2 139.7 28.1 58.2 39.0 12 12 A Y E -ab 69 359A 0 56,-2.0 58,-2.7 -2,-0.3 2,-0.6 -0.977 9.1-146.7-126.2 119.2 31.2 57.1 37.0 13 13 A Q E -ab 70 360A 2 346,-2.5 348,-2.9 -2,-0.5 2,-0.5 -0.751 16.8-168.3 -94.6 116.7 32.4 59.3 34.2 14 14 A I E -a 71 0A 0 56,-2.8 58,-2.3 -2,-0.6 2,-1.1 -0.906 23.2-152.7-112.4 128.2 33.8 57.5 31.2 15 15 A I > - 0 0 0 -2,-0.5 3,-1.7 1,-0.2 4,-0.4 -0.795 26.3-151.0 -89.4 101.9 35.7 59.0 28.3 16 16 A I G >> S+ 0 0 0 -2,-1.1 3,-1.5 1,-0.3 4,-0.6 0.865 87.3 54.1 -49.6 -48.0 34.6 56.2 25.9 17 17 A D G 34 S+ 0 0 1 72,-0.5 32,-2.6 1,-0.3 -1,-0.3 0.725 114.1 43.2 -63.5 -19.1 37.6 56.2 23.6 18 18 A R G <4 S+ 0 0 0 -3,-1.7 361,-2.7 30,-0.2 -1,-0.3 0.315 102.4 67.5-112.4 14.7 40.0 55.7 26.5 19 19 A F T <4 S- 0 0 1 -3,-1.5 2,-0.3 -4,-0.4 -2,-0.1 0.925 108.0 -22.5-100.4 -70.8 38.2 53.1 28.6 20 20 A Y < - 0 0 79 -4,-0.6 30,-2.3 30,-0.3 2,-1.3 -0.967 44.6-139.1-150.5 130.4 38.0 49.7 26.8 21 21 A D + 0 0 38 -2,-0.3 3,-0.2 28,-0.3 28,-0.2 -0.710 32.1 165.4 -86.5 93.4 38.3 48.6 23.2 22 22 A G S S+ 0 0 17 -2,-1.3 2,-0.3 1,-0.3 -1,-0.2 0.553 70.9 33.7 -86.9 -9.6 35.6 46.0 23.1 23 23 A D > - 0 0 58 25,-0.4 3,-1.2 -3,-0.1 -1,-0.3 -0.792 60.5-172.1-145.1 98.8 35.5 45.8 19.3 24 24 A T G > S+ 0 0 100 -2,-0.3 3,-1.4 1,-0.2 4,-0.2 0.679 78.1 77.4 -70.5 -9.9 38.7 46.3 17.3 25 25 A T G 3 S+ 0 0 117 1,-0.3 3,-0.3 2,-0.1 -1,-0.2 0.661 91.6 49.6 -76.4 -14.9 36.8 46.3 14.0 26 26 A N G < S+ 0 0 17 -3,-1.2 -1,-0.3 1,-0.2 -2,-0.1 0.234 80.5 102.8-105.9 17.7 35.5 49.9 14.5 27 27 A N S < S+ 0 0 9 -3,-1.4 -1,-0.2 1,-0.2 -2,-0.1 0.818 96.7 13.1 -67.4 -31.7 38.9 51.4 15.3 28 28 A N S S- 0 0 49 -3,-0.3 -1,-0.2 -4,-0.2 5,-0.1 -0.532 81.2-172.0-148.6 69.8 39.5 52.9 11.9 29 29 A P > - 0 0 25 0, 0.0 3,-1.4 0, 0.0 6,-0.2 -0.325 33.3-121.6 -63.6 148.6 36.4 53.0 9.8 30 30 A A G > S+ 0 0 96 1,-0.3 3,-1.3 2,-0.2 0, 0.0 0.872 110.5 66.3 -58.9 -34.4 36.4 54.1 6.1 31 31 A K G 3 S+ 0 0 93 1,-0.3 -1,-0.3 71,-0.0 48,-0.0 0.783 123.3 14.0 -56.9 -33.6 34.0 56.9 6.9 32 32 A S G X S+ 0 0 3 -3,-1.4 3,-0.9 48,-0.0 -1,-0.3 -0.325 91.2 175.9-139.7 49.7 36.6 58.6 9.1 33 33 A Y T < + 0 0 168 -3,-1.3 -3,-0.1 1,-0.2 -5,-0.1 -0.277 57.3 31.3 -60.9 144.3 39.8 56.8 8.1 34 34 A G T 3 S+ 0 0 35 46,-0.1 -1,-0.2 2,-0.0 -6,-0.1 0.490 84.5 101.6 89.4 9.5 43.2 57.9 9.4 35 35 A L < + 0 0 3 -3,-0.9 11,-2.6 -6,-0.2 2,-0.4 0.338 60.0 97.3-106.6 9.6 42.1 59.2 12.9 36 36 A Y B -g 46 0B 57 9,-0.2 11,-0.2 11,-0.1 -8,-0.1 -0.778 51.7-164.4-106.6 138.1 43.2 56.1 14.8 37 37 A D > - 0 0 6 9,-2.9 3,-1.2 -2,-0.4 5,-0.1 -0.876 5.5-175.3-121.8 105.0 46.5 55.6 16.7 38 38 A P T 3 S+ 0 0 78 0, 0.0 -1,-0.1 0, 0.0 9,-0.1 0.703 83.2 60.9 -68.6 -17.3 47.3 52.0 17.6 39 39 A T T 3 S- 0 0 90 1,-0.0 8,-0.1 3,-0.0 -2,-0.0 0.564 95.0-137.4 -88.1 -11.4 50.4 53.1 19.5 40 40 A K S < S+ 0 0 83 -3,-1.2 338,-0.1 6,-0.2 3,-0.1 0.876 75.7 107.8 52.7 45.8 48.5 55.2 22.1 41 41 A S + 0 0 72 1,-0.1 2,-0.8 -4,-0.0 -1,-0.1 0.460 54.3 75.5-124.4 -11.4 51.2 57.9 21.8 42 42 A K S > S- 0 0 88 1,-0.1 3,-1.9 -5,-0.1 -1,-0.1 -0.884 71.7-158.6-105.6 101.6 49.4 60.6 19.9 43 43 A W T 3 S+ 0 0 76 -2,-0.8 -1,-0.1 1,-0.3 4,-0.1 0.555 81.9 48.0 -67.5 -12.9 47.2 62.0 22.7 44 44 A K T 3 S+ 0 0 65 41,-0.5 43,-1.9 2,-0.1 45,-0.5 0.150 94.1 91.0-110.8 15.7 44.4 63.6 20.6 45 45 A M S < S- 0 0 12 -3,-1.9 2,-0.3 41,-0.2 -9,-0.2 -0.676 91.0 -87.2 -99.3 169.1 43.8 60.7 18.2 46 46 A Y B -g 36 0B 0 -11,-2.6 -9,-2.9 -2,-0.2 -6,-0.2 -0.565 35.1-171.9 -73.7 132.2 41.2 57.9 18.6 47 47 A W - 0 0 5 -2,-0.3 -1,-0.2 -30,-0.2 -26,-0.1 0.486 47.9-103.6-100.5 -12.7 42.8 55.1 20.7 48 48 A G + 0 0 3 1,-0.3 -25,-0.4 -21,-0.1 -30,-0.2 0.414 65.0 145.2 111.5 -2.7 39.9 52.7 20.2 49 49 A G + 0 0 0 -32,-2.6 -28,-0.3 -28,-0.2 -1,-0.3 -0.351 28.1 171.9 -65.2 150.0 37.7 52.5 23.3 50 50 A D > - 0 0 0 -30,-2.3 4,-1.6 1,-0.1 -30,-0.3 -0.832 47.8 -86.6-151.1-178.5 34.0 52.0 22.4 51 51 A L H > S+ 0 0 0 53,-2.0 4,-2.4 -2,-0.2 5,-0.2 0.891 122.6 54.0 -66.2 -36.8 30.5 51.3 23.6 52 52 A E H > S+ 0 0 38 52,-0.6 4,-2.5 1,-0.2 -1,-0.2 0.887 105.5 55.4 -65.3 -31.8 30.9 47.5 23.4 53 53 A G H > S+ 0 0 0 -33,-0.4 4,-0.9 2,-0.2 -1,-0.2 0.913 107.4 48.5 -65.7 -40.4 34.0 47.9 25.7 54 54 A V H >< S+ 0 0 0 -4,-1.6 3,-1.1 -34,-0.2 -2,-0.2 0.955 111.4 50.6 -63.3 -42.9 31.9 49.7 28.3 55 55 A R H >< S+ 0 0 62 -4,-2.4 3,-1.4 1,-0.3 -2,-0.2 0.883 106.7 54.3 -64.2 -38.8 29.3 46.9 28.0 56 56 A Q H 3< S+ 0 0 76 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.721 107.0 52.3 -67.6 -20.8 32.0 44.2 28.5 57 57 A K T S+ 0 0 3 -3,-1.4 4,-3.2 1,-0.2 5,-0.2 0.910 75.8 55.0 -58.2 -40.6 29.7 46.1 33.3 59 59 A P H > S+ 0 0 74 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.927 109.4 48.1 -59.9 -39.7 30.6 43.4 35.9 60 60 A Y H > S+ 0 0 11 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.934 113.8 46.1 -65.0 -47.7 33.6 45.5 37.0 61 61 A L H X>S+ 0 0 0 -4,-2.3 5,-2.3 2,-0.2 4,-1.0 0.907 111.9 51.2 -64.8 -39.5 31.5 48.6 37.3 62 62 A K H ><5S+ 0 0 109 -4,-3.2 3,-0.9 1,-0.2 -2,-0.2 0.939 111.0 48.3 -61.6 -45.9 28.8 46.8 39.2 63 63 A Q H 3<5S+ 0 0 100 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.820 106.1 58.2 -63.9 -36.1 31.3 45.4 41.6 64 64 A L H 3<5S- 0 0 0 -4,-1.9 -1,-0.3 -5,-0.2 332,-0.2 0.740 120.8-108.0 -62.8 -25.9 32.9 48.9 42.1 65 65 A G T <<5 + 0 0 2 -4,-1.0 -55,-0.3 -3,-0.9 2,-0.3 0.550 63.4 156.4 105.4 10.2 29.5 50.3 43.2 66 66 A V < + 0 0 2 -5,-2.3 -1,-0.3 -6,-0.2 -55,-0.2 -0.544 12.1 167.2 -70.0 131.8 28.7 52.3 40.1 67 67 A T + 0 0 20 -57,-2.4 56,-3.1 1,-0.3 2,-0.3 0.477 68.6 35.5-123.1 -7.0 24.9 52.8 39.7 68 68 A T E -ac 11 123A 0 -58,-1.8 -56,-2.0 54,-0.2 2,-0.5 -0.945 68.4-154.5-143.6 124.6 24.9 55.5 37.0 69 69 A I E -ac 12 124A 0 54,-3.1 56,-3.1 -2,-0.3 2,-0.8 -0.855 5.8-153.8 -95.7 129.2 27.4 55.7 34.1 70 70 A W E -ac 13 125A 5 -58,-2.7 -56,-2.8 -2,-0.5 2,-0.4 -0.912 18.1-157.0 -97.4 108.8 28.0 59.2 32.6 71 71 A L E -ac 14 126A 0 54,-2.6 56,-2.3 -2,-0.8 155,-0.2 -0.752 16.6-120.0 -87.1 133.9 29.1 58.4 29.0 72 72 A S - 0 0 1 -58,-2.3 55,-0.1 -2,-0.4 19,-0.1 -0.120 66.1 -49.8 -62.4 166.0 31.2 61.1 27.2 73 73 A P - 0 0 2 0, 0.0 -1,-0.2 0, 0.0 55,-0.1 -0.127 53.7-171.7 -53.4 133.8 29.4 62.3 24.1 74 74 A V + 0 0 1 53,-0.5 27,-3.0 -3,-0.2 30,-0.1 0.520 46.2 106.5-104.8 -5.2 28.2 59.4 21.8 75 75 A L E S-H 100 0C 8 25,-0.3 25,-0.2 16,-0.2 22,-0.2 -0.282 85.5 -73.5 -86.9 157.5 27.1 61.2 18.7 76 76 A D E -H 96 0C 1 23,-2.6 19,-2.5 20,-1.0 20,-1.6 -0.292 55.7-163.1 -52.8 117.4 28.9 61.3 15.3 77 77 A N E -H 94 0C 1 17,-0.3 17,-0.2 1,-0.2 25,-0.1 -0.554 39.3 -51.2 -99.6 161.0 32.0 63.6 15.6 78 78 A L - 0 0 0 15,-2.2 10,-0.4 -2,-0.2 -1,-0.2 0.049 43.5-150.7 -20.7 124.9 34.1 65.3 12.9 79 79 A D S S+ 0 0 19 -3,-0.1 2,-0.2 8,-0.1 -1,-0.2 0.382 73.4 53.4 -91.7 2.3 35.3 62.7 10.3 80 80 A T S S- 0 0 47 1,-0.1 8,-0.3 -45,-0.0 65,-0.1 -0.721 94.3 -84.3-121.8 178.6 38.6 64.5 9.5 81 81 A L - 0 0 72 -2,-0.2 6,-0.2 63,-0.1 63,-0.2 -0.376 23.5-149.8 -77.6 159.4 41.6 65.9 11.3 82 82 A A S S- 0 0 1 4,-2.3 2,-0.1 1,-0.7 5,-0.1 -0.566 72.1 -46.8-125.6 65.5 41.4 69.4 12.9 83 83 A G S > S- 0 0 36 3,-0.1 3,-2.0 -2,-0.0 -1,-0.7 -0.333 113.4 -0.9 89.4 177.2 45.1 70.1 12.6 84 84 A T T 3 S- 0 0 130 1,-0.3 3,-0.1 -3,-0.1 -2,-0.0 -0.064 130.4 -31.3 -48.5 113.3 48.1 67.9 13.4 85 85 A D T 3 S+ 0 0 66 1,-0.2 2,-0.5 -42,-0.0 -41,-0.5 0.799 101.5 140.1 45.8 40.2 47.0 64.5 14.9 86 86 A N < + 0 0 9 -3,-2.0 -4,-2.3 -43,-0.1 2,-0.3 -0.944 22.1 160.8-123.0 118.6 43.9 66.3 16.4 87 87 A T > - 0 0 0 -43,-1.9 3,-0.5 -2,-0.5 -6,-0.1 -0.873 53.2-102.8-133.2 167.5 40.6 64.5 16.3 88 88 A G G > + 0 0 0 -10,-0.4 3,-1.9 -8,-0.3 5,-0.3 0.047 68.9 131.8 -81.2 31.9 37.1 64.4 17.9 89 89 A Y G 3 + 0 0 2 -45,-0.5 -72,-0.5 1,-0.3 -1,-0.2 0.778 69.9 57.5 -50.8 -34.6 38.1 61.3 20.0 90 90 A H G < S- 0 0 15 -3,-0.5 -1,-0.3 -46,-0.1 -74,-0.2 0.686 107.5-126.3 -72.7 -22.9 36.6 63.1 23.0 91 91 A G S < S+ 0 0 1 -3,-1.9 -16,-0.2 -19,-0.1 38,-0.1 0.329 77.8 111.5 92.8 2.3 33.1 63.5 21.4 92 92 A Y + 0 0 20 1,-0.2 2,-0.5 -19,-0.1 40,-0.1 0.378 62.1 73.8 -90.5 3.5 32.6 67.3 21.8 93 93 A W S S- 0 0 8 -5,-0.3 -15,-2.2 -18,-0.1 2,-0.4 -0.724 71.5-172.6-115.6 79.3 32.8 68.1 18.1 94 94 A T E +H 77 0C 2 39,-0.6 -17,-0.3 -2,-0.5 3,-0.2 -0.614 24.7 170.1 -85.0 125.2 29.5 66.8 16.7 95 95 A R E S+ 0 0 25 -19,-2.5 55,-2.6 -2,-0.4 2,-0.3 0.574 80.5 24.9 -98.2 -21.0 28.7 66.7 13.0 96 96 A D E > -Hi 76 150C 0 -20,-1.6 3,-1.0 53,-0.2 -20,-1.0 -0.797 57.1-170.1-149.5 106.1 25.5 64.7 13.3 97 97 A F E 3 S+ 0 0 0 53,-0.6 54,-0.1 -2,-0.3 -1,-0.1 0.488 86.2 59.4 -76.2 0.2 23.3 64.7 16.4 98 98 A K E 3 S+ 0 0 31 52,-0.3 2,-0.3 -22,-0.1 -1,-0.2 0.508 98.2 63.6-104.3 -6.7 21.2 61.8 15.1 99 99 A Q E < S- 0 0 68 -3,-1.0 -23,-2.6 -23,-0.1 2,-0.2 -0.907 79.8-116.0-124.0 145.9 23.8 59.2 14.6 100 100 A I E -H 75 0C 7 -2,-0.3 -25,-0.3 -25,-0.2 2,-0.2 -0.522 46.4 -95.3 -73.4 143.5 26.2 57.3 17.0 101 101 A E >> - 0 0 1 -27,-3.0 3,-1.8 -2,-0.2 4,-1.3 -0.426 31.8-136.6 -58.7 126.7 29.9 58.0 16.4 102 102 A E T 34 S+ 0 0 31 1,-0.3 -1,-0.1 2,-0.2 -74,-0.1 0.797 101.5 60.3 -64.8 -26.6 31.1 55.1 14.1 103 103 A H T 34 S+ 0 0 2 1,-0.2 -1,-0.3 -76,-0.1 -77,-0.2 0.772 111.7 42.5 -66.6 -24.9 34.3 54.6 16.1 104 104 A F T <4 S- 0 0 2 -3,-1.8 -53,-2.0 1,-0.3 -52,-0.6 0.684 121.4 -91.9 -97.8 -20.8 32.1 53.8 19.1 105 105 A G < - 0 0 12 -4,-1.3 -1,-0.3 -55,-0.1 2,-0.2 -0.961 41.1 -83.5 145.9-157.4 29.4 51.6 17.6 106 106 A N > - 0 0 89 -2,-0.3 4,-2.2 -3,-0.1 5,-0.2 -0.667 55.2 -77.2-131.1-170.7 25.9 52.2 16.0 107 107 A W H > S+ 0 0 38 1,-0.2 4,-2.9 -2,-0.2 5,-0.2 0.850 131.3 55.1 -62.8 -34.3 22.4 52.6 17.5 108 108 A T H > S+ 0 0 94 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.932 108.0 49.2 -60.7 -42.8 22.2 48.8 18.0 109 109 A T H > S+ 0 0 26 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.913 112.2 48.1 -61.5 -42.1 25.5 48.9 20.0 110 110 A F H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 5,-0.2 0.950 112.4 48.7 -63.8 -47.4 24.1 51.8 22.1 111 111 A D H X S+ 0 0 45 -4,-2.9 4,-3.0 1,-0.2 5,-0.2 0.909 111.2 50.2 -58.0 -44.1 20.8 50.0 22.7 112 112 A T H X S+ 0 0 54 -4,-2.7 4,-2.5 2,-0.2 5,-0.2 0.932 111.9 47.1 -63.4 -45.4 22.7 46.8 23.7 113 113 A L H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.932 115.1 46.0 -59.2 -48.4 24.9 48.7 26.2 114 114 A V H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.922 114.1 47.7 -62.9 -44.1 22.0 50.6 27.7 115 115 A N H X S+ 0 0 90 -4,-3.0 4,-2.1 -5,-0.2 -1,-0.2 0.897 114.2 46.7 -64.3 -40.3 19.8 47.4 28.0 116 116 A D H X S+ 0 0 34 -4,-2.5 4,-1.5 -5,-0.2 -2,-0.2 0.896 110.6 52.5 -72.0 -36.4 22.6 45.4 29.6 117 117 A A H ><>S+ 0 0 0 -4,-2.7 5,-2.5 -5,-0.2 3,-0.6 0.960 109.7 49.7 -59.5 -49.6 23.5 48.3 32.0 118 118 A H H ><5S+ 0 0 63 -4,-2.6 3,-1.7 1,-0.3 -2,-0.2 0.877 105.9 55.6 -58.9 -40.1 19.8 48.3 33.0 119 119 A Q H 3<5S+ 0 0 152 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.826 108.3 49.9 -59.6 -31.0 19.8 44.5 33.6 120 120 A N T <<5S- 0 0 51 -4,-1.5 -1,-0.3 -3,-0.6 -2,-0.2 0.310 123.2-106.9 -90.0 11.3 22.8 45.1 35.9 121 121 A G T < 5S+ 0 0 45 -3,-1.7 2,-0.4 1,-0.2 -3,-0.2 0.755 79.9 128.4 72.2 26.7 20.9 47.8 37.8 122 122 A I < - 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