==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 08-DEC-09 3KZS . COMPND 2 MOLECULE: GLYCOSYL HYDROLASE FAMILY 5; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES THETAIOTAOMICRON; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 1826 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 67346.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1163 63.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 133 7.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 220 12.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 15 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 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 . 4 0.2 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 . 139 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 224 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 339 18.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 1.1 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 13 5 0 2 5 1 0 0 2 4 9 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 9 0 11 8 5 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 . 19 9 4 8 0 4 5 3 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 10 1 0 3 4 0 1 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 27 A Q 0 0 240 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 151.6 20.5 66.1 94.0 2 28 A K - 0 0 119 1,-0.1 2,-0.2 3,-0.0 3,-0.0 -0.379 360.0-115.9 -68.4 135.5 18.7 63.7 96.4 3 29 A T - 0 0 62 -2,-0.1 2,-0.3 109,-0.1 111,-0.1 -0.444 30.8-111.1 -69.4 137.4 14.9 63.3 96.1 4 30 A Y - 0 0 60 109,-0.2 -1,-0.1 -2,-0.2 0, 0.0 -0.555 29.2-161.7 -71.5 128.7 12.9 64.5 99.0 5 31 A I > - 0 0 45 -2,-0.3 3,-2.2 1,-0.2 4,-0.4 -0.904 5.5-161.6-115.9 102.2 11.3 61.5 100.9 6 32 A P G > S+ 0 0 3 0, 0.0 3,-1.9 0, 0.0 -1,-0.2 0.865 88.4 56.7 -49.5 -45.5 8.4 62.7 103.1 7 33 A W G > S+ 0 0 47 1,-0.3 3,-1.5 2,-0.2 17,-0.1 0.466 81.7 83.0 -74.8 0.4 8.3 59.5 105.2 8 34 A S G < S+ 0 0 87 -3,-2.2 -1,-0.3 1,-0.3 3,-0.1 0.753 91.3 56.3 -68.7 -19.1 12.0 60.0 106.2 9 35 A N G < S- 0 0 29 -3,-1.9 16,-1.9 -4,-0.4 -1,-0.3 0.405 127.8 -96.7 -85.9 -2.6 10.3 62.3 108.7 10 36 A G < - 0 0 17 -3,-1.5 -1,-0.4 14,-0.2 3,-0.1 -0.406 57.0 -40.4 108.7 174.5 8.1 59.4 109.9 11 37 A K - 0 0 107 12,-0.1 13,-1.2 -2,-0.1 2,-0.2 -0.212 69.7 -88.5 -74.7 162.4 4.7 58.1 109.1 12 38 A L E +A 23 0A 14 172,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.514 49.3 175.1 -72.6 142.2 1.7 60.4 108.6 13 39 A V E -A 22 0A 50 9,-3.0 9,-2.8 -2,-0.2 2,-0.4 -0.991 37.6-106.4-145.4 146.7 -0.3 61.3 111.7 14 40 A V E -A 21 0A 42 -2,-0.3 7,-0.2 7,-0.2 195,-0.0 -0.632 47.0-116.6 -73.7 126.7 -3.2 63.6 112.4 15 41 A S > - 0 0 11 5,-3.1 3,-2.1 -2,-0.4 -1,-0.1 -0.224 25.0-104.0 -64.0 156.8 -1.8 66.7 114.3 16 42 A E T 3 S+ 0 0 171 1,-0.3 -1,-0.1 2,-0.1 -2,-0.1 0.786 118.2 58.4 -52.1 -37.3 -3.0 67.4 117.9 17 43 A E T 3 S- 0 0 39 1,-0.1 -1,-0.3 329,-0.1 234,-0.1 0.621 107.8-125.0 -75.2 -8.0 -5.3 70.3 117.0 18 44 A G S < S+ 0 0 11 -3,-2.1 -2,-0.1 2,-0.2 -1,-0.1 0.674 87.8 89.9 74.5 21.7 -7.3 67.9 114.7 19 45 A R S S+ 0 0 50 327,-0.1 235,-0.4 1,-0.1 2,-0.2 0.731 79.7 37.3-115.8 -33.6 -6.9 70.0 111.5 20 46 A Y - 0 0 0 233,-0.1 -5,-3.1 326,-0.1 2,-0.4 -0.714 67.9-116.5-126.0 167.9 -3.7 69.0 109.7 21 47 A L E +A 14 0A 0 8,-0.5 8,-2.1 273,-0.2 2,-0.3 -0.847 35.1 172.1-102.6 140.5 -1.5 66.1 108.8 22 48 A K E -AB 13 28A 56 -9,-2.8 -9,-3.0 -2,-0.4 2,-0.2 -0.892 32.7-109.5-135.6 168.7 2.1 65.8 110.1 23 49 A H E > -A 12 0A 1 4,-2.6 3,-2.6 -2,-0.3 -11,-0.2 -0.644 44.6 -99.8 -92.4 160.0 4.9 63.3 110.1 24 50 A E T 3 S+ 0 0 147 -13,-1.2 -14,-0.2 1,-0.3 -12,-0.1 0.801 123.3 59.4 -49.3 -33.3 5.9 61.7 113.4 25 51 A N T 3 S- 0 0 85 -16,-1.9 -1,-0.3 -14,-0.1 -15,-0.1 0.361 123.7-102.3 -84.1 10.6 8.7 64.1 113.8 26 52 A G S < S+ 0 0 33 -3,-2.6 -2,-0.1 1,-0.3 -1,-0.1 0.241 73.8 145.3 92.3 -12.1 6.4 67.1 113.7 27 53 A T - 0 0 40 -18,-0.2 -4,-2.6 -5,-0.1 -1,-0.3 -0.352 52.4-113.3 -63.3 131.3 7.1 68.0 110.1 28 54 A P B -B 22 0A 44 0, 0.0 2,-0.5 0, 0.0 -6,-0.2 -0.270 20.8-153.8 -63.6 146.3 4.1 69.4 108.2 29 55 A F - 0 0 5 -8,-2.1 2,-1.1 265,-0.1 -8,-0.5 -0.876 5.6-166.9-122.5 99.0 2.6 67.4 105.4 30 56 A F - 0 0 3 -2,-0.5 2,-0.3 -10,-0.1 265,-0.2 -0.754 20.5-139.9 -86.3 104.2 0.8 69.6 102.9 31 57 A W E +c 295 0B 0 -2,-1.1 265,-2.4 263,-0.6 2,-0.5 -0.472 25.5 176.9 -66.6 118.2 -1.1 67.2 100.8 32 58 A L E -c 296 0B 1 -2,-0.3 29,-2.4 263,-0.2 30,-1.4 -0.905 18.5-164.6-123.7 99.6 -1.0 68.2 97.1 33 59 A G E -cd 297 62B 0 263,-2.9 265,-3.1 -2,-0.5 2,-0.3 -0.576 15.6-161.8 -94.1 148.8 -2.9 65.5 95.3 34 60 A E E -cd 298 63B 0 28,-2.4 30,-2.9 -2,-0.2 2,-0.9 -0.929 23.4-125.0-119.7 150.0 -3.0 64.6 91.7 35 61 A T E + d 0 64B 0 263,-0.6 265,-0.4 -2,-0.3 2,-0.2 -0.793 40.1 155.7-104.2 100.7 -5.8 62.4 90.2 36 62 A G > + 0 0 0 28,-2.1 3,-2.3 -2,-0.9 30,-0.3 -0.409 11.3 161.3-115.1 57.1 -4.5 59.4 88.3 37 63 A W T 3 S+ 0 0 6 1,-0.3 29,-2.9 28,-0.2 -1,-0.2 0.838 74.3 37.5 -46.7 -51.0 -7.5 57.2 88.6 38 64 A L T 3> S+ 0 0 23 266,-1.8 4,-2.8 265,-0.2 5,-0.4 0.224 79.9 114.8 -95.8 22.8 -6.7 54.8 85.8 39 65 A L H <> S+ 0 0 0 -3,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.922 80.3 44.1 -55.7 -48.0 -2.9 54.6 86.4 40 66 A P H 4 S+ 0 0 3 0, 0.0 36,-0.3 0, 0.0 -1,-0.2 0.821 120.7 40.9 -70.7 -26.9 -3.0 50.9 87.3 41 67 A E H 4 S+ 0 0 12 -3,-0.3 -2,-0.2 25,-0.2 -3,-0.1 0.780 124.8 28.7 -90.3 -27.8 -5.3 49.9 84.6 42 68 A R H < S+ 0 0 81 -4,-2.8 2,-0.4 33,-0.2 -3,-0.2 0.648 100.1 73.2-115.0 -18.7 -4.0 52.0 81.6 43 69 A L < - 0 0 0 -4,-1.6 33,-0.3 -5,-0.4 34,-0.2 -0.809 60.4-144.1-106.4 144.7 -0.3 52.7 81.9 44 70 A N > - 0 0 41 -2,-0.4 4,-2.7 32,-0.1 5,-0.2 -0.238 43.2 -84.2 -87.6-176.6 2.7 50.4 81.4 45 71 A R H > S+ 0 0 103 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.923 127.8 43.3 -58.1 -46.9 5.9 50.5 83.3 46 72 A D H > S+ 0 0 129 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.913 115.7 47.7 -68.1 -42.6 7.6 53.3 81.2 47 73 A E H > S+ 0 0 48 2,-0.2 4,-3.1 1,-0.2 -2,-0.2 0.924 111.7 51.0 -64.6 -42.5 4.5 55.4 81.0 48 74 A A H X S+ 0 0 0 -4,-2.7 4,-2.9 1,-0.2 5,-0.2 0.913 109.0 50.3 -62.1 -44.5 3.9 55.1 84.8 49 75 A E H X S+ 0 0 72 -4,-2.1 4,-2.5 -5,-0.2 -1,-0.2 0.922 113.0 47.3 -60.5 -42.2 7.4 56.1 85.6 50 76 A Y H X S+ 0 0 101 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.943 112.4 48.5 -66.9 -46.8 7.0 59.2 83.3 51 77 A Y H X S+ 0 0 0 -4,-3.1 4,-2.0 1,-0.2 -2,-0.2 0.934 113.8 46.7 -57.6 -47.7 3.7 60.2 84.8 52 78 A L H X S+ 0 0 0 -4,-2.9 4,-2.5 2,-0.2 -2,-0.2 0.927 112.3 49.5 -64.1 -42.3 5.0 59.9 88.3 53 79 A E H X S+ 0 0 22 -4,-2.5 4,-2.4 -5,-0.2 -1,-0.2 0.929 110.4 51.1 -62.4 -42.6 8.2 61.8 87.6 54 80 A Q H X S+ 0 0 19 -4,-2.6 4,-0.5 1,-0.2 -1,-0.2 0.865 110.4 48.1 -65.4 -37.4 6.3 64.6 85.9 55 81 A C H ><>S+ 0 0 0 -4,-2.0 5,-1.6 -5,-0.2 3,-1.0 0.902 109.9 53.6 -66.9 -42.9 3.9 64.9 88.9 56 82 A K H ><5S+ 0 0 64 -4,-2.5 3,-2.0 1,-0.2 -2,-0.2 0.927 103.5 55.4 -56.7 -46.2 6.9 65.0 91.2 57 83 A R H 3<5S+ 0 0 159 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.695 107.7 52.0 -64.2 -14.8 8.5 67.8 89.3 58 84 A R T <<5S- 0 0 29 -3,-1.0 -1,-0.3 -4,-0.5 276,-0.2 0.223 121.2-101.1-108.9 14.4 5.3 69.8 89.8 59 85 A G T < 5S+ 0 0 16 -3,-2.0 -3,-0.2 1,-0.3 -2,-0.1 0.302 70.1 143.6 93.1 -10.4 5.0 69.4 93.6 60 86 A Y < + 0 0 3 -5,-1.6 -1,-0.3 1,-0.1 -27,-0.2 -0.370 19.9 174.8 -64.8 140.4 2.4 66.7 93.9 61 87 A N + 0 0 10 -29,-2.4 55,-2.9 1,-0.2 2,-0.4 0.359 63.5 55.2-127.9 -0.9 3.0 64.3 96.8 62 88 A V E -de 33 116B 0 -30,-1.4 -28,-2.4 53,-0.2 2,-0.6 -0.997 60.7-164.4-134.7 127.4 -0.1 62.1 96.6 63 89 A I E -de 34 117B 0 53,-2.7 55,-3.0 -2,-0.4 2,-0.4 -0.952 13.7-149.7-112.8 111.4 -1.3 60.3 93.6 64 90 A Q E +de 35 118B 0 -30,-2.9 -28,-2.1 -2,-0.6 2,-0.3 -0.670 25.4 171.2 -83.1 129.4 -4.9 59.1 93.8 65 91 A V E - e 0 119B 0 53,-2.8 55,-2.5 -2,-0.4 2,-1.0 -0.962 41.1-119.1-135.8 157.5 -5.7 55.9 91.9 66 92 A Q E - e 0 120B 16 -29,-2.9 -25,-0.2 -30,-0.3 3,-0.2 -0.854 22.4-166.7 -93.4 102.3 -8.4 53.4 91.5 67 93 A T S S+ 0 0 0 53,-2.0 2,-0.4 -2,-1.0 -1,-0.2 0.911 83.7 10.5 -54.2 -45.4 -6.7 50.2 92.7 68 94 A L + 0 0 0 52,-0.9 55,-2.0 -3,-0.1 -1,-0.3 -0.993 58.4 177.1-131.4 138.1 -9.6 48.4 91.0 69 95 A N S S+ 0 0 36 -2,-0.4 2,-0.3 1,-0.3 -1,-0.1 0.569 76.2 13.0-109.8 -18.5 -12.2 50.0 88.8 70 96 A N S S- 0 0 82 55,-0.1 -1,-0.3 56,-0.1 53,-0.1 -0.897 91.3 -81.7-144.0 174.7 -14.1 46.7 88.0 71 97 A V S S+ 0 0 37 -2,-0.3 2,-0.1 1,-0.2 3,-0.0 -0.932 124.4 13.9-126.8 103.4 -14.4 43.2 89.3 72 98 A P S S- 0 0 54 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.683 95.8-152.0 -81.0 175.1 -12.1 41.9 88.0 73 99 A S - 0 0 0 -2,-0.1 8,-2.4 -4,-0.1 2,-0.4 -0.795 5.0-146.5-105.2 154.7 -10.0 44.8 86.7 74 100 A X B -H 80 0C 80 -2,-0.3 6,-0.2 6,-0.2 2,-0.2 -0.935 7.7-153.1-119.8 144.7 -7.7 44.5 83.6 75 101 A N > - 0 0 7 4,-1.5 3,-2.0 -2,-0.4 -34,-0.2 -0.561 38.2 -91.6-109.5 179.7 -4.4 46.3 83.1 76 102 A I T 3 S+ 0 0 70 -36,-0.3 -32,-0.1 1,-0.3 -34,-0.1 0.767 123.7 58.0 -64.1 -25.5 -2.6 47.3 79.9 77 103 A Y T 3 S- 0 0 100 -34,-0.2 -1,-0.3 2,-0.1 -35,-0.0 0.567 119.8-107.6 -80.0 -7.5 -0.7 44.0 79.7 78 104 A G S < S+ 0 0 49 -3,-2.0 2,-0.4 1,-0.3 -2,-0.1 0.817 70.4 146.4 82.2 32.9 -4.0 42.1 79.6 79 105 A Q - 0 0 59 -4,-0.1 -4,-1.5 19,-0.1 2,-0.3 -0.840 44.6-129.0-102.9 141.2 -3.7 40.8 83.2 80 106 A Y B -H 74 0C 129 -2,-0.4 19,-0.6 -6,-0.2 -6,-0.2 -0.670 4.8-142.1 -85.6 144.9 -6.7 40.2 85.5 81 107 A S S S+ 0 0 0 -8,-2.4 2,-0.4 -2,-0.3 -1,-0.1 0.704 95.4 33.3 -74.6 -24.7 -6.8 41.6 89.1 82 108 A X + 0 0 13 -9,-0.3 3,-0.2 1,-0.1 -1,-0.2 -0.969 56.3 174.9-136.9 123.0 -8.5 38.4 90.3 83 109 A T S S+ 0 0 71 -2,-0.4 3,-0.1 4,-0.2 -1,-0.1 0.385 87.3 26.0-106.0 -1.0 -7.8 35.0 88.8 84 110 A D S > S- 0 0 96 1,-0.7 3,-1.7 3,-0.2 -1,-0.2 -0.250 111.0 -99.5-157.0 55.6 -10.0 33.0 91.2 85 111 A G T 3 S- 0 0 45 1,-0.2 -1,-0.7 -3,-0.2 -2,-0.1 -0.292 90.4 -21.6 59.3-137.6 -12.7 35.3 92.5 86 112 A Y T 3 S+ 0 0 28 -3,-0.1 2,-0.8 -4,-0.1 -1,-0.2 0.085 108.5 110.0 -93.1 24.1 -11.8 36.7 96.0 87 113 A N < + 0 0 69 -3,-1.7 3,-0.2 1,-0.1 -4,-0.2 -0.899 38.4 171.9 -97.9 110.6 -9.4 33.9 96.7 88 114 A F > + 0 0 22 -2,-0.8 3,-2.0 1,-0.2 4,-0.4 0.357 44.8 107.2-100.7 3.5 -6.0 35.5 96.7 89 115 A K T 3 S+ 0 0 103 1,-0.3 3,-0.3 2,-0.1 -1,-0.2 0.888 94.0 28.3 -51.0 -41.1 -4.0 32.6 98.0 90 116 A N T 3 S+ 0 0 120 -3,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.040 81.5 120.3-112.6 29.8 -2.5 31.9 94.5 91 117 A I < + 0 0 22 -3,-2.0 2,-0.3 -7,-0.1 -1,-0.2 0.911 64.2 70.6 -61.6 -41.3 -2.6 35.4 93.1 92 118 A N - 0 0 96 -4,-0.4 2,-0.4 -3,-0.3 5,-0.1 -0.574 66.2-171.8 -79.9 135.8 1.2 35.5 92.6 93 119 A Q > - 0 0 102 3,-0.4 3,-1.8 -2,-0.3 5,-0.2 -0.995 27.3-114.4-131.1 126.6 2.6 33.2 89.9 94 120 A K T 3 S+ 0 0 218 -2,-0.4 3,-0.1 1,-0.3 0, 0.0 -0.289 100.5 12.0 -58.5 138.1 6.3 32.6 89.4 95 121 A G T 3 S+ 0 0 88 1,-0.2 2,-0.5 0, 0.0 -1,-0.3 0.574 105.8 109.1 71.7 7.9 7.6 33.9 86.0 96 122 A V < - 0 0 51 -3,-1.8 2,-1.2 2,-0.0 -3,-0.4 -0.973 62.7-146.0-119.5 129.6 4.4 36.0 85.5 97 123 A Y - 0 0 71 -2,-0.5 -3,-0.1 -3,-0.1 -20,-0.0 -0.720 37.8-172.4 -91.2 90.2 4.1 39.8 85.7 98 124 A G > - 0 0 10 -2,-1.2 4,-2.0 -5,-0.2 3,-0.4 -0.136 39.4 -92.0 -83.4 176.5 0.6 40.0 87.1 99 125 A Y H > S+ 0 0 6 -19,-0.6 4,-1.6 1,-0.2 -18,-0.1 0.894 126.9 43.9 -52.4 -45.8 -1.8 42.8 87.8 100 126 A W H > S+ 0 0 4 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.737 106.9 59.0 -78.8 -21.2 -0.6 43.2 91.4 101 127 A D H > S+ 0 0 47 -3,-0.4 4,-1.8 2,-0.2 -1,-0.2 0.861 108.4 47.3 -71.5 -32.8 3.1 42.9 90.4 102 128 A H H X S+ 0 0 1 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.877 110.6 50.9 -74.4 -34.9 2.4 46.0 88.3 103 129 A X H X S+ 0 0 2 -4,-1.6 4,-2.6 2,-0.2 -2,-0.2 0.923 109.0 52.4 -64.5 -44.2 0.6 47.7 91.2 104 130 A D H X S+ 0 0 17 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.920 109.3 49.7 -54.8 -47.5 3.7 46.9 93.3 105 131 A Y H X S+ 0 0 40 -4,-1.8 4,-2.6 2,-0.2 5,-0.3 0.908 109.4 50.4 -60.0 -44.8 5.9 48.5 90.6 106 132 A I H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.945 113.4 45.9 -59.2 -47.5 3.7 51.6 90.5 107 133 A I H X S+ 0 0 0 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.915 115.4 45.5 -62.9 -45.1 3.8 52.0 94.3 108 134 A R H X S+ 0 0 122 -4,-2.8 4,-1.7 2,-0.2 -1,-0.2 0.841 111.9 51.2 -72.1 -29.9 7.6 51.4 94.5 109 135 A T H X S+ 0 0 7 -4,-2.6 4,-0.9 -5,-0.2 -1,-0.2 0.914 110.1 50.4 -71.5 -37.8 8.4 53.7 91.6 110 136 A A H ><>S+ 0 0 0 -4,-2.2 5,-2.9 -5,-0.3 3,-0.7 0.896 106.9 56.3 -63.9 -37.3 6.3 56.4 93.4 111 137 A A H ><5S+ 0 0 19 -4,-2.0 3,-1.5 1,-0.3 -1,-0.2 0.888 101.6 54.4 -62.9 -43.1 8.3 55.7 96.5 112 138 A K H 3<5S+ 0 0 156 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.741 110.5 48.9 -62.2 -23.3 11.6 56.4 94.8 113 139 A K T <<5S- 0 0 23 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.2 0.399 119.2-109.2 -99.7 6.5 10.1 59.8 93.8 114 140 A G T < 5S+ 0 0 4 -3,-1.5 2,-0.4 -4,-0.3 -3,-0.2 0.783 73.0 139.0 71.8 30.8 8.8 60.7 97.3 115 141 A L < - 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