==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 14-APR-09 3H2W . COMPND 2 MOLECULE: CELLULASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ALICYCLOBACILLUS ACIDOCALDARIUS; . AUTHOR S.MORERA,A.VIGOUROUX . 528 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19761.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 360 68.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 11 2.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 58 11.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 34 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 64 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 172 32.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 2 2 0 1 0 2 0 0 1 1 1 3 0 1 1 1 0 0 0 0 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 6 3 1 2 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 1 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 7 A K 0 0 146 0, 0.0 2,-0.3 0, 0.0 19,-0.0 0.000 360.0 360.0 360.0 130.9 -12.5 64.2 -11.1 2 8 A S - 0 0 43 69,-0.1 19,-0.4 71,-0.0 2,-0.3 -0.978 360.0 -85.7-160.5 167.7 -14.5 62.1 -8.6 3 9 A I - 0 0 13 -2,-0.3 2,-0.4 69,-0.2 17,-0.2 -0.644 36.5-149.4 -82.6 137.2 -14.6 59.7 -5.6 4 10 A F E +A 19 0A 15 15,-2.5 15,-2.5 -2,-0.3 2,-0.3 -0.944 34.1 141.2-112.9 133.2 -14.1 56.0 -6.4 5 11 A Y E -A 18 0A 19 -2,-0.4 2,-1.1 429,-0.3 13,-0.1 -0.912 59.8 -64.5-160.8 174.0 -15.9 53.5 -4.2 6 12 A N - 0 0 0 11,-0.5 70,-0.4 -2,-0.3 428,-0.2 -0.682 45.0-168.8 -78.5 104.5 -17.8 50.3 -3.8 7 13 A Q S S+ 0 0 11 426,-1.7 440,-0.3 -2,-1.1 -1,-0.2 0.587 80.8 54.9 -78.1 -14.3 -20.9 51.2 -5.8 8 14 A V S S- 0 0 20 1,-0.3 2,-0.3 438,-0.1 -1,-0.2 0.896 114.0-111.2 -79.4 -47.7 -22.9 48.2 -4.6 9 15 A G - 0 0 0 66,-0.1 2,-0.3 421,-0.0 -1,-0.3 -0.925 25.0 -78.4 147.5-171.1 -22.4 49.0 -0.9 10 16 A Y E -d 77 0B 0 66,-2.3 68,-2.5 -2,-0.3 2,-0.2 -0.960 34.3-111.4-130.3 147.5 -20.7 48.0 2.3 11 17 A L E > -d 78 0B 4 -2,-0.3 3,-1.3 4,-0.2 68,-0.2 -0.563 30.2-124.0 -70.1 136.2 -21.4 45.4 5.0 12 18 A I T 3 S+ 0 0 31 66,-1.1 -1,-0.1 1,-0.3 67,-0.1 0.925 112.8 30.0 -38.0 -61.4 -22.4 47.0 8.4 13 19 A S T 3 S+ 0 0 54 66,-0.2 -1,-0.3 46,-0.1 46,-0.1 0.297 110.6 98.3 -91.1 7.8 -19.7 45.3 10.3 14 20 A G S < S- 0 0 10 -3,-1.3 2,-0.4 1,-0.1 -4,-0.0 -0.200 83.7 -76.4 -93.5-176.7 -17.3 45.2 7.3 15 21 A D - 0 0 54 -2,-0.1 2,-0.5 42,-0.1 -4,-0.2 -0.671 43.0-162.3 -87.6 128.9 -14.4 47.3 6.0 16 22 A K + 0 0 0 -2,-0.4 39,-2.1 -6,-0.1 40,-0.7 -0.947 18.1 157.2-120.6 121.6 -15.3 50.6 4.4 17 23 A R E - B 0 54A 57 -2,-0.5 -11,-0.5 37,-0.2 2,-0.3 -0.986 16.5-173.2-139.4 148.4 -13.0 52.6 2.1 18 24 A F E -AB 5 53A 0 35,-2.0 35,-1.9 -2,-0.3 2,-0.3 -0.923 13.0-146.7-131.5 169.4 -13.1 55.2 -0.6 19 25 A W E +AB 4 52A 0 -15,-2.5 -15,-2.5 -2,-0.3 2,-0.3 -0.925 15.9 171.3-131.3 152.5 -10.5 56.7 -2.9 20 26 A I E - B 0 51A 3 31,-2.2 31,-2.6 -2,-0.3 2,-0.5 -0.956 39.0-110.6-149.5 151.8 -9.7 60.0 -4.6 21 27 A Q E + B 0 50A 63 -19,-0.4 2,-0.3 -2,-0.3 29,-0.2 -0.757 57.7 147.7 -76.5 126.7 -6.8 61.4 -6.5 22 28 A A - 0 0 15 27,-2.0 4,-0.0 -2,-0.5 -2,-0.0 -0.874 50.5-142.8-145.1 175.9 -5.3 64.1 -4.3 23 29 A H S S+ 0 0 158 -2,-0.3 27,-0.1 1,-0.2 -2,-0.0 0.265 85.7 16.0-126.0 9.9 -1.9 65.5 -3.5 24 30 A E S S- 0 0 107 20,-0.0 -1,-0.2 27,-0.0 19,-0.1 -0.979 95.8 -67.5-165.9 162.1 -2.5 65.9 0.3 25 31 A P - 0 0 64 0, 0.0 19,-0.1 0, 0.0 -2,-0.1 -0.327 47.7-174.3 -54.1 144.6 -4.7 64.9 3.2 26 32 A Q - 0 0 50 -4,-0.0 17,-2.8 43,-0.0 2,-0.1 -0.976 23.9-118.9-135.7 146.7 -8.3 66.2 3.0 27 33 A P E -E 42 0B 90 0, 0.0 42,-0.7 0, 0.0 2,-0.3 -0.502 33.0-172.0 -81.1 160.1 -10.9 65.9 5.6 28 34 A F E -EF 41 68B 8 13,-2.0 13,-1.6 40,-0.2 2,-0.3 -0.980 8.3-167.5-144.8 156.5 -14.2 64.0 4.7 29 35 A A E -EF 40 67B 11 38,-2.0 38,-2.7 -2,-0.3 2,-0.4 -0.967 13.5-144.8-139.8 162.5 -17.5 63.4 6.2 30 36 A L E -EF 39 66B 0 9,-1.8 8,-3.1 -2,-0.3 9,-1.2 -0.996 23.3-173.4-123.0 131.3 -20.5 61.2 5.7 31 37 A R E -EF 37 65B 81 34,-2.5 34,-2.7 -2,-0.4 6,-0.2 -0.891 32.8 -95.2-124.1 155.6 -24.0 62.5 6.4 32 38 A T > - 0 0 35 4,-1.8 3,-1.4 -2,-0.3 32,-0.2 -0.171 52.7 -99.7 -54.6 160.4 -27.5 61.1 6.5 33 39 A P T 3 S+ 0 0 82 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.898 122.8 48.2 -64.0 -34.4 -29.2 61.7 3.2 34 40 A E T 3 S- 0 0 143 2,-0.1 2,-0.5 31,-0.0 -2,-0.1 -0.337 128.4 -78.9 -99.8 46.6 -31.1 64.7 4.6 35 41 A G S < S+ 0 0 40 -3,-1.4 2,-0.2 -2,-0.3 30,-0.0 -0.525 80.1 121.1 117.8 -66.4 -28.2 66.5 6.2 36 42 A Q - 0 0 159 -2,-0.5 -4,-1.8 -5,-0.2 -1,-0.1 -0.247 56.6-125.1 -70.5 115.9 -26.7 65.5 9.6 37 43 A A E +E 31 0B 62 -6,-0.2 -6,-0.3 -2,-0.2 -1,-0.1 -0.237 30.1 174.4 -52.2 133.9 -22.9 64.5 9.7 38 44 A V E + 0 0 63 -8,-3.1 2,-0.3 1,-0.3 -7,-0.2 0.605 62.0 17.0-116.1 -24.1 -22.3 61.0 11.2 39 45 A F E -E 30 0B 49 -9,-1.2 -9,-1.8 19,-0.1 -1,-0.3 -0.985 55.4-175.7-156.3 136.1 -18.6 60.4 10.7 40 46 A A E +E 29 0B 77 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.985 16.7 143.2-133.3 150.0 -15.4 62.4 9.9 41 47 A G E -E 28 0B 25 -13,-1.6 -13,-2.0 -2,-0.3 2,-0.4 -0.917 43.1 -94.4-162.0-174.1 -11.8 61.5 9.3 42 48 A M E -E 27 0B 105 -2,-0.3 12,-0.3 -15,-0.2 10,-0.1 -0.937 30.4-121.6-119.6 136.5 -8.8 62.4 7.2 43 49 A T - 0 0 4 -17,-2.8 10,-0.2 -2,-0.4 -24,-0.1 -0.273 30.1-157.2 -63.5 160.3 -7.7 60.9 3.9 44 50 A K E -C 52 0A 102 8,-2.2 8,-2.3 -19,-0.1 2,-0.1 -0.991 22.5 -97.5-144.0 148.5 -4.2 59.4 3.8 45 51 A P E +C 51 0A 84 0, 0.0 6,-0.3 0, 0.0 3,-0.1 -0.371 35.6 171.7 -67.9 140.3 -1.7 58.6 1.0 46 52 A V E - 0 0 42 4,-3.3 5,-0.2 1,-0.3 339,-0.1 0.345 57.8 -58.2-128.4 4.4 -1.6 55.0 -0.4 47 53 A G E > S+C 50 0A 35 3,-0.7 3,-3.1 1,-0.2 -1,-0.3 -0.385 98.2 6.1 130.3 155.3 0.6 55.3 -3.5 48 54 A G T 3 S- 0 0 96 1,-0.3 -1,-0.2 -2,-0.1 0, 0.0 -0.288 131.0 -25.3 43.5-110.0 1.1 57.1 -6.8 49 55 A N T 3 S+ 0 0 82 -3,-0.1 -27,-2.0 -2,-0.1 2,-0.4 0.337 108.2 119.5-102.7 -2.7 -1.7 59.6 -6.8 50 56 A W E < +BC 21 47A 23 -3,-3.1 -4,-3.3 -29,-0.2 -3,-0.7 -0.591 34.9 179.8 -99.2 131.1 -4.1 57.9 -4.5 51 57 A Y E -BC 20 45A 30 -31,-2.6 -31,-2.2 -2,-0.4 2,-0.3 -0.933 13.9-161.4-110.0 139.7 -5.6 58.9 -1.1 52 58 A V E -BC 19 44A 0 -8,-2.3 -8,-2.2 -2,-0.4 2,-0.4 -0.839 5.7-156.2-114.1 156.3 -8.0 56.6 0.7 53 59 A G E -B 18 0A 0 -35,-1.9 -35,-2.0 -2,-0.3 2,-0.4 -0.995 11.0-152.4-131.5 131.7 -10.4 57.4 3.4 54 60 A D E +B 17 0A 38 -2,-0.4 -37,-0.2 -12,-0.3 -12,-0.1 -0.866 24.4 166.0-107.9 133.7 -11.6 54.7 5.8 55 61 A F > + 0 0 0 -39,-2.1 3,-2.8 -2,-0.4 -38,-0.2 0.073 29.0 133.9-131.6 28.0 -14.9 54.7 7.6 56 62 A T T 3 + 0 0 22 -40,-0.7 -1,-0.1 1,-0.3 -39,-0.1 0.771 66.0 70.9 -42.7 -32.8 -15.1 51.1 8.9 57 63 A A T 3 S+ 0 0 70 -41,-0.1 2,-0.9 -3,-0.1 -1,-0.3 0.596 72.7 95.2 -71.3 -12.0 -16.2 52.5 12.2 58 64 A L < + 0 0 9 -3,-2.8 -3,-0.1 1,-0.1 -19,-0.1 -0.737 43.1 162.9 -82.0 106.0 -19.6 53.5 10.9 59 65 A R + 0 0 119 -2,-0.9 -1,-0.1 -46,-0.1 -47,-0.1 0.273 38.2 104.7-108.1 5.1 -21.9 50.6 11.8 60 66 A V S S- 0 0 89 -48,-0.1 17,-0.1 1,-0.0 -2,-0.0 -0.820 72.4-123.8 -91.1 120.1 -25.3 52.3 11.4 61 67 A P + 0 0 71 0, 0.0 2,-0.2 0, 0.0 17,-0.2 -0.162 55.3 98.3 -58.0 152.3 -27.1 51.1 8.1 62 68 A G E S- G 0 77B 27 15,-2.2 15,-3.2 2,-0.1 2,-0.6 -0.867 73.5 -78.4 161.0 172.3 -28.2 53.7 5.6 63 69 A T E - G 0 76B 67 -2,-0.2 2,-0.3 13,-0.2 13,-0.2 -0.942 55.2-174.0 -91.2 123.8 -27.7 55.6 2.4 64 70 A Y E - G 0 75B 7 11,-3.3 11,-2.6 -2,-0.6 2,-0.5 -0.864 25.7-127.8-118.9 154.4 -25.1 58.3 3.2 65 71 A T E -FG 31 74B 18 -34,-2.7 -34,-2.5 -2,-0.3 2,-0.6 -0.902 23.8-154.9-100.3 129.5 -23.7 61.3 1.3 66 72 A L E -FG 30 73B 0 7,-3.1 7,-2.0 -2,-0.5 2,-0.4 -0.920 11.1-170.6-108.8 121.9 -19.9 61.3 1.4 67 73 A T E +FG 29 72B 24 -38,-2.7 -38,-2.0 -2,-0.6 2,-0.3 -0.953 14.5 164.1-119.0 134.1 -18.2 64.6 0.9 68 74 A V E > S-FG 28 71B 4 3,-1.9 3,-2.7 -2,-0.4 2,-0.2 -0.967 71.4 -33.3-144.0 129.2 -14.5 65.3 0.4 69 75 A G T 3 S- 0 0 58 -42,-0.7 -43,-0.0 -2,-0.3 -2,-0.0 -0.463 125.9 -33.3 57.8-120.8 -13.3 68.6 -1.0 70 76 A T T 3 S+ 0 0 153 -2,-0.2 -1,-0.3 -3,-0.1 2,-0.3 0.152 118.0 103.4-110.1 14.6 -16.1 69.7 -3.3 71 77 A L E < - G 0 68B 43 -3,-2.7 -3,-1.9 -69,-0.0 2,-0.4 -0.688 49.4-164.1-104.6 154.3 -16.9 66.1 -4.4 72 78 A E E - G 0 67B 146 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.998 8.2-179.9-141.2 136.2 -19.9 63.9 -3.4 73 79 A A E - G 0 66B 10 -7,-2.0 -7,-3.1 -2,-0.4 2,-0.6 -0.959 27.4-128.4-131.3 151.6 -20.8 60.2 -3.6 74 80 A R E - G 0 65B 146 -2,-0.3 2,-0.4 -9,-0.2 -9,-0.2 -0.917 33.1-175.3 -98.6 117.7 -23.8 58.3 -2.4 75 81 A V E - G 0 64B 0 -11,-2.6 -11,-3.3 -2,-0.6 2,-0.4 -0.921 10.7-149.0-118.7 139.3 -22.6 55.3 -0.3 76 82 A V E - G 0 63B 47 -2,-0.4 -66,-2.3 -70,-0.4 2,-0.4 -0.923 8.4-168.7-116.8 131.6 -24.8 52.6 1.1 77 83 A I E +dG 10 62B 2 -15,-3.2 -15,-2.2 -2,-0.4 2,-0.3 -0.980 21.1 158.8-112.2 130.7 -24.3 50.5 4.3 78 84 A H E > -d 11 0B 84 -68,-2.5 3,-1.1 -2,-0.4 -66,-1.1 -0.994 51.4-116.0-151.4 149.2 -26.5 47.4 4.8 79 85 A R T 3 S+ 0 0 113 -2,-0.3 -66,-0.2 1,-0.3 2,-0.2 0.873 119.5 15.4 -50.6 -44.0 -26.5 44.2 6.9 80 86 A R T > S+ 0 0 102 1,-0.1 3,-1.2 -69,-0.1 4,-0.4 -0.609 76.2 164.8-130.8 73.1 -26.3 42.2 3.7 81 87 A A T < S+ 0 0 16 -3,-1.1 4,-0.3 1,-0.2 3,-0.2 0.781 76.6 44.9 -59.1 -29.8 -25.3 44.7 1.0 82 88 A Y T 3> S+ 0 0 0 1,-0.2 4,-2.9 2,-0.1 5,-0.3 0.399 77.4 101.2-100.7 0.8 -24.3 42.1 -1.6 83 89 A R H <> S+ 0 0 53 -3,-1.2 4,-2.3 1,-0.2 -1,-0.2 0.918 87.7 47.1 -52.8 -47.5 -27.2 39.6 -1.3 84 90 A D H > S+ 0 0 96 -4,-0.4 4,-2.6 -3,-0.2 -1,-0.2 0.939 113.8 44.2 -59.3 -54.1 -28.8 41.1 -4.5 85 91 A V H > S+ 0 0 0 -4,-0.3 4,-2.8 1,-0.2 -1,-0.2 0.876 112.9 53.0 -63.6 -37.1 -25.6 41.1 -6.6 86 92 A L H X S+ 0 0 0 -4,-2.9 4,-2.0 2,-0.2 -1,-0.2 0.918 109.4 49.1 -63.4 -43.2 -24.7 37.6 -5.4 87 93 A E H X S+ 0 0 42 -4,-2.3 4,-2.6 -5,-0.3 -2,-0.2 0.910 111.7 48.9 -60.9 -43.9 -28.2 36.4 -6.4 88 94 A A H X S+ 0 0 11 -4,-2.6 4,-1.5 1,-0.2 -2,-0.2 0.936 109.5 52.2 -59.4 -44.6 -27.7 38.1 -9.8 89 95 A M H < S+ 0 0 0 -4,-2.8 4,-0.4 1,-0.2 -1,-0.2 0.805 112.3 45.2 -67.5 -33.3 -24.2 36.4 -10.2 90 96 A L H >X S+ 0 0 0 -4,-2.0 3,-1.4 1,-0.2 4,-0.7 0.890 109.2 55.5 -71.1 -44.5 -25.7 33.0 -9.5 91 97 A R H 3X S+ 0 0 42 -4,-2.6 4,-2.3 1,-0.3 -2,-0.2 0.720 90.4 75.4 -63.9 -21.0 -28.7 33.6 -11.8 92 98 A F H 3X S+ 0 0 0 -4,-1.5 4,-2.1 2,-0.2 -1,-0.3 0.887 90.8 56.6 -55.9 -37.4 -26.3 34.4 -14.6 93 99 A F H <4 S+ 0 0 0 -3,-1.4 -1,-0.2 -4,-0.4 -2,-0.2 0.914 106.5 48.7 -63.5 -39.7 -25.6 30.6 -14.8 94 100 A D H >< S+ 0 0 0 -4,-0.7 3,-1.4 1,-0.2 -2,-0.2 0.896 108.8 53.6 -66.4 -36.4 -29.4 30.1 -15.3 95 101 A Y H 3< S+ 0 0 15 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.824 105.2 55.6 -63.0 -32.9 -29.3 32.8 -18.1 96 102 A Q T 3< S+ 0 0 2 -4,-2.1 40,-2.9 -5,-0.2 -1,-0.3 0.427 81.0 134.5 -77.0 1.0 -26.5 30.9 -19.8 97 103 A L B < -H 135 0C 0 -3,-1.4 2,-0.4 38,-0.2 3,-0.3 -0.277 45.2-146.7 -63.6 134.9 -28.6 27.7 -20.0 98 104 A C S S+ 0 0 1 36,-2.9 35,-0.4 1,-0.2 16,-0.1 -0.838 71.4 7.9-101.4 133.9 -28.6 25.9 -23.3 99 105 A G S S+ 0 0 22 -2,-0.4 2,-0.4 14,-0.2 15,-0.2 0.799 99.2 105.0 70.8 32.1 -31.6 24.0 -24.6 100 106 A V S S- 0 0 48 -3,-0.3 2,-0.2 13,-0.2 -1,-0.2 -0.970 75.3-114.2-144.8 128.3 -34.2 25.0 -22.1 101 107 A V - 0 0 95 -2,-0.4 12,-0.2 13,-0.1 -3,-0.0 -0.419 26.6-152.9 -54.2 118.9 -37.1 27.5 -22.4 102 108 A L B -I 112 0D 2 10,-3.6 10,-1.5 -2,-0.2 -1,-0.1 -0.888 22.6-141.2 -97.9 100.3 -36.2 30.3 -20.0 103 109 A P >> - 0 0 34 0, 0.0 4,-3.0 0, 0.0 3,-2.1 -0.337 14.3-119.7 -71.8 144.2 -39.6 31.6 -19.1 104 110 A E H 3> S+ 0 0 133 1,-0.3 4,-2.0 2,-0.2 6,-0.1 0.762 111.3 64.8 -43.6 -39.6 -40.5 35.2 -18.7 105 111 A D H 34 S+ 0 0 132 1,-0.2 -1,-0.3 2,-0.2 -3,-0.0 0.787 119.7 23.9 -63.1 -24.4 -41.6 34.6 -15.1 106 112 A E H <4 S+ 0 0 11 -3,-2.1 -2,-0.2 2,-0.1 -1,-0.2 0.734 131.3 39.4-105.0 -33.8 -38.0 33.7 -14.3 107 113 A A H >< S- 0 0 1 -4,-3.0 3,-1.2 1,-0.2 -3,-0.2 0.758 80.6-165.8 -92.9 -28.0 -36.0 35.5 -17.0 108 114 A G G >< S- 0 0 21 -4,-2.0 3,-1.6 -5,-0.3 -1,-0.2 -0.488 72.2 -10.2 70.6-145.1 -37.9 38.8 -17.3 109 115 A P G 3 S+ 0 0 82 0, 0.0 -1,-0.2 0, 0.0 -5,-0.1 0.605 136.5 60.5 -63.7 -12.1 -37.0 40.8 -20.4 110 116 A W G < S+ 0 0 48 -3,-1.2 -2,-0.1 -6,-0.1 2,-0.1 0.039 77.6 130.4-102.5 24.1 -34.1 38.4 -21.2 111 117 A A < + 0 0 36 -3,-1.6 2,-0.3 -7,-0.1 -7,-0.1 -0.369 29.5 164.6 -74.0 154.5 -36.3 35.3 -21.5 112 118 A H B -I 102 0D 24 -10,-1.5 -10,-3.6 -12,-0.1 3,-0.1 -0.988 32.1 -96.7-163.2 172.5 -36.0 33.0 -24.4 113 119 A G - 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0 0 8 -2,-0.6 2,-0.3 -5,-0.3 8,-0.0 -0.467 61.3-101.3 -71.5 151.4 3.6 23.9 -11.0 332 338 A P - 0 0 49 0, 0.0 2,-1.4 0, 0.0 9,-0.5 -0.638 28.2-133.7 -77.0 140.1 1.9 27.2 -10.3 333 339 A W + 0 0 20 -2,-0.3 2,-0.2 8,-0.2 7,-0.1 -0.540 53.3 142.2 -97.2 69.0 -0.7 26.7 -7.6 334 340 A E - 0 0 92 -2,-1.4 8,-1.6 73,-0.0 9,-0.6 -0.590 58.1-119.2-110.4 169.1 -3.6 28.5 -9.3 335 341 A L - 0 0 3 1,-0.3 5,-0.2 -2,-0.2 -181,-0.1 -0.309 61.7-165.9-106.9 43.4 -7.3 28.2 -9.7 336 342 A G S S- 0 0 7 3,-3.6 -1,-0.3 1,-0.1 2,-0.1 -0.161 74.4-169.2 93.0-178.6 -7.8 27.8 -13.4 337 343 A W S S- 0 0 63 -3,-0.1 3,-0.1 -191,-0.1 -1,-0.1 -0.925 119.3 -1.0 -76.0 -24.5 -8.8 27.7 -16.1 338 344 A A S S+ 0 0 16 1,-0.2 2,-0.9 -2,-0.1 -37,-0.1 0.817 131.0 54.7 -89.5 -40.0 -5.5 26.3 -17.4 339 345 A D + 0 0 47 1,-0.1 -3,-3.6 -38,-0.1 -1,-0.2 -0.884 63.4 156.2-105.1 105.0 -3.4 26.2 -14.3 340 346 A V >> + 0 0 3 -2,-0.9 3,-1.6 -5,-0.2 4,-0.8 0.295 28.2 113.8-118.3 2.8 -5.5 24.2 -11.9 341 347 A A H >> S+ 0 0 0 -9,-0.5 4,-2.2 1,-0.3 3,-0.8 0.841 70.1 65.3 -49.1 -40.6 -3.0 22.7 -9.4 342 348 A L H 3> S+ 0 0 7 -8,-1.6 4,-1.9 1,-0.3 -1,-0.3 0.836 95.6 57.5 -63.4 -27.2 -4.4 24.7 -6.5 343 349 A Y H <> S+ 0 0 6 -3,-1.6 4,-2.4 -9,-0.6 -1,-0.3 0.892 108.0 48.6 -62.6 -39.1 -7.7 22.8 -6.8 344 350 A G H < S+ 0 0 0 -4,-2.7 3,-1.6 1,-0.2 -2,-0.2 0.923 114.4 49.9 -63.8 -50.9 -5.5 16.8 -0.9 349 355 A L H 3< S+ 0 0 2 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.700 113.2 49.1 -60.3 -22.6 -5.5 19.1 2.1 350 356 A R T 3< S+ 0 0 50 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.277 87.2 101.2-108.1 9.1 -9.1 18.3 2.7 351 357 A T S < S- 0 0 4 -3,-1.6 -39,-0.1 -5,-0.1 5,-0.1 -0.712 94.3 -87.2 -79.5 143.9 -8.7 14.6 2.5 352 358 A P > - 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