==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 11-JAN-02 1KSC . COMPND 2 MOLECULE: ENDO-B-1,4-GLUCANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: NASUTITERMES TAKASAGOENSIS; . AUTHOR S.KHADEMI,L.A.GUARINO,H.WATANABE,G.TOKUDA,E.F.MEYER . 433 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15450.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 294 67.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 23 5.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.7 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 . 17 3.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 182 42.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.6 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 1 1 0 0 0 0 0 1 0 2 1 3 3 1 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 7 1 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 M 0 0 187 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 135.5 66.7 -40.2 -14.7 2 2 A A - 0 0 98 1,-0.1 2,-0.3 2,-0.0 0, 0.0 0.965 360.0-151.7 50.2 85.3 70.1 -41.8 -15.5 3 3 A Y - 0 0 37 1,-0.0 2,-1.4 3,-0.0 3,-0.1 -0.682 14.5-132.2 -92.3 140.9 69.7 -45.2 -13.7 4 4 A D >> - 0 0 76 -2,-0.3 4,-1.9 1,-0.2 3,-0.6 -0.700 25.2-178.2 -89.3 85.5 72.7 -47.2 -12.3 5 5 A Y H 3> S+ 0 0 8 -2,-1.4 4,-2.4 1,-0.2 -1,-0.2 0.808 78.6 61.4 -56.3 -31.3 71.8 -50.6 -13.8 6 6 A K H 3> S+ 0 0 79 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.924 106.9 43.5 -63.2 -43.2 74.8 -52.1 -12.1 7 7 A Q H <> S+ 0 0 69 -3,-0.6 4,-2.3 2,-0.2 -2,-0.2 0.856 111.7 53.1 -71.5 -33.6 73.5 -51.2 -8.7 8 8 A V H X S+ 0 0 0 -4,-1.9 4,-2.7 2,-0.2 -1,-0.2 0.903 107.7 52.5 -66.7 -38.2 70.0 -52.4 -9.6 9 9 A L H X S+ 0 0 0 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.931 110.0 48.1 -60.4 -45.4 71.5 -55.7 -10.7 10 10 A R H X S+ 0 0 80 -4,-1.9 4,-1.2 1,-0.2 -1,-0.2 0.887 110.8 52.1 -61.7 -39.4 73.2 -55.9 -7.3 11 11 A D H X S+ 0 0 16 -4,-2.3 4,-1.7 2,-0.2 3,-0.4 0.915 105.2 54.4 -63.1 -44.6 69.9 -55.0 -5.6 12 12 A S H X S+ 0 0 0 -4,-2.7 4,-1.9 1,-0.3 -1,-0.2 0.895 105.7 53.2 -57.8 -39.3 68.1 -57.8 -7.5 13 13 A L H X S+ 0 0 6 -4,-1.8 4,-1.9 1,-0.2 -1,-0.3 0.843 104.5 56.0 -65.9 -29.6 70.7 -60.3 -6.2 14 14 A L H X S+ 0 0 44 -4,-1.2 4,-1.8 -3,-0.4 -1,-0.2 0.856 103.0 55.4 -69.3 -32.9 69.8 -59.0 -2.7 15 15 A F H X S+ 0 0 0 -4,-1.7 4,-0.8 1,-0.2 -2,-0.2 0.942 107.2 49.0 -64.0 -44.9 66.2 -59.9 -3.3 16 16 A Y H >< S+ 0 0 1 -4,-1.9 3,-0.8 1,-0.2 4,-0.4 0.880 107.4 54.5 -63.3 -35.0 67.2 -63.5 -4.1 17 17 A E H >< S+ 0 0 10 -4,-1.9 3,-1.1 1,-0.2 -1,-0.2 0.889 105.7 54.4 -63.4 -34.9 69.3 -63.6 -0.9 18 18 A A H 3< S+ 0 0 1 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.670 105.7 53.4 -70.4 -17.5 66.1 -62.6 0.9 19 19 A Q T << S+ 0 0 2 -3,-0.8 34,-3.2 -4,-0.8 -1,-0.2 0.431 81.0 126.0 -96.4 -1.7 64.3 -65.5 -0.7 20 20 A R B < -A 52 0A 9 -3,-1.1 2,-0.3 -4,-0.4 32,-0.2 -0.361 42.4-161.3 -65.1 133.2 66.8 -68.1 0.4 21 21 A S + 0 0 0 30,-2.7 2,-0.2 -2,-0.1 30,-0.1 -0.750 51.6 21.5-108.9 157.4 65.5 -71.1 2.4 22 22 A G B S-B 36 0B 0 14,-1.2 14,-1.4 -2,-0.3 2,-0.5 -0.536 111.3 -4.9 91.0-155.6 67.6 -73.5 4.6 23 23 A R S S- 0 0 150 12,-0.2 -2,-0.1 -2,-0.2 12,-0.0 -0.688 71.1-141.6 -81.5 121.8 70.9 -72.8 6.2 24 24 A L - 0 0 26 -2,-0.5 11,-0.1 1,-0.1 -2,-0.0 -0.589 19.6-108.7 -86.1 145.5 72.3 -69.4 5.1 25 25 A P > - 0 0 43 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 -0.220 23.0-113.1 -70.3 159.0 76.1 -68.9 4.5 26 26 A A T 3 S+ 0 0 119 1,-0.3 -2,-0.0 3,-0.0 0, 0.0 0.774 117.7 55.4 -61.9 -26.7 78.5 -66.9 6.7 27 27 A D T 3 S+ 0 0 86 2,-0.0 -1,-0.3 4,-0.0 4,-0.0 0.159 74.9 143.7 -94.7 19.3 78.8 -64.4 3.9 28 28 A Q < - 0 0 18 -3,-1.8 3,-0.1 1,-0.1 -4,-0.0 -0.333 33.7-165.0 -57.3 136.3 75.0 -63.7 3.6 29 29 A K S S+ 0 0 120 1,-0.2 2,-1.7 -15,-0.0 -1,-0.1 0.784 79.7 65.2 -95.6 -34.5 74.5 -60.0 2.9 30 30 A V > + 0 0 13 1,-0.2 3,-1.1 -16,-0.1 -1,-0.2 -0.671 69.6 172.1 -88.9 83.1 70.8 -59.8 3.7 31 31 A T T 3 + 0 0 94 -2,-1.7 -1,-0.2 1,-0.2 -3,-0.1 0.472 60.3 74.8 -76.7 -5.8 71.5 -60.6 7.4 32 32 A W T 3 S+ 0 0 58 -3,-0.1 2,-0.3 2,-0.1 -1,-0.2 0.679 83.3 86.0 -79.1 -14.1 68.0 -60.0 8.8 33 33 A R < - 0 0 7 -3,-1.1 2,-0.3 96,-0.0 -14,-0.1 -0.643 68.6-163.7 -82.9 142.1 67.1 -63.3 7.2 34 34 A K - 0 0 110 -2,-0.3 -12,-0.1 1,-0.1 -2,-0.1 -0.777 32.1 -72.4-124.3 167.4 67.9 -66.4 9.4 35 35 A D + 0 0 76 -2,-0.3 2,-0.3 -11,-0.1 -12,-0.2 -0.323 65.6 158.5 -56.9 137.8 68.3 -70.2 9.0 36 36 A S B +B 22 0B 3 -14,-1.4 -14,-1.2 1,-0.1 14,-0.3 -0.976 40.4 36.8-158.1 167.4 64.8 -71.7 8.4 37 37 A A > + 0 0 13 93,-0.5 3,-1.0 -2,-0.3 13,-0.3 0.886 62.4 155.2 51.5 44.2 62.9 -74.7 7.0 38 38 A L T 3 + 0 0 59 1,-0.2 11,-0.1 -16,-0.1 -1,-0.1 0.475 64.2 58.1 -80.3 -1.8 65.7 -76.9 8.3 39 39 A N T 3 + 0 0 134 9,-0.1 -1,-0.2 8,-0.1 2,-0.2 0.273 69.4 135.2-109.4 8.0 63.4 -79.9 8.5 40 40 A D < + 0 0 4 -3,-1.0 8,-2.6 77,-0.1 2,-0.3 -0.418 32.0 150.9 -61.2 122.8 62.4 -80.0 4.8 41 41 A Q B -C 47 0C 97 96,-0.4 6,-0.2 6,-0.2 98,-0.1 -0.982 39.1-113.7-153.6 163.2 62.6 -83.6 3.7 42 42 A G > - 0 0 9 4,-1.9 3,-1.8 -2,-0.3 6,-0.1 -0.112 52.0 -74.8 -89.3-171.9 61.1 -86.2 1.4 43 43 A D T 3 S+ 0 0 95 1,-0.3 -1,-0.0 2,-0.1 97,-0.0 0.804 133.5 37.8 -53.5 -38.3 59.1 -89.5 1.9 44 44 A Q T 3 S- 0 0 141 0, 0.0 -1,-0.3 0, 0.0 -2,-0.0 0.255 128.1 -93.3 -99.0 11.0 62.1 -91.4 3.2 45 45 A G < + 0 0 38 -3,-1.8 -2,-0.1 1,-0.2 3,-0.1 0.643 66.3 169.2 87.7 14.9 63.5 -88.4 5.1 46 46 A Q - 0 0 50 1,-0.1 -4,-1.9 2,-0.1 2,-0.3 -0.351 45.3-100.6 -61.0 140.0 65.8 -87.3 2.3 47 47 A D B +C 41 0C 81 -6,-0.2 -6,-0.2 1,-0.1 -1,-0.1 -0.476 47.8 166.1 -66.1 122.5 67.3 -83.9 2.9 48 48 A L + 0 0 0 -8,-2.6 -7,-0.2 -2,-0.3 -1,-0.1 -0.016 26.9 136.4-125.5 26.8 65.4 -81.3 0.9 49 49 A T + 0 0 10 -9,-0.3 2,-0.2 -11,-0.1 56,-0.1 -0.416 46.9 35.4 -75.6 152.9 66.7 -78.2 2.7 50 50 A G + 0 0 13 -13,-0.3 -28,-0.2 -14,-0.3 49,-0.1 -0.686 62.2 105.7 106.2-161.1 67.7 -75.2 0.7 51 51 A G S S- 0 0 0 47,-0.8 -30,-2.7 -2,-0.2 2,-0.4 -0.211 73.5 -58.4 76.7-172.9 66.3 -73.7 -2.5 52 52 A Y B -A 20 0A 3 -32,-0.2 -32,-0.2 47,-0.1 2,-0.2 -0.889 36.4-124.5-114.4 140.2 64.2 -70.5 -2.7 53 53 A F - 0 0 2 -34,-3.2 7,-0.2 -2,-0.4 362,-0.2 -0.585 33.6-129.1 -72.3 143.9 60.9 -69.6 -1.1 54 54 A D - 0 0 6 5,-2.6 361,-2.8 -2,-0.2 362,-0.3 0.947 62.8 -37.4 -65.3 -56.7 58.6 -68.7 -4.0 55 55 A A S S- 0 0 3 359,-0.3 359,-0.2 4,-0.2 -2,-0.1 -0.026 108.3 -26.8-137.2-119.4 57.1 -65.3 -3.1 56 56 A G S S+ 0 0 3 357,-0.3 305,-1.9 303,-0.1 306,-0.2 0.404 123.9 68.2 -88.7 2.8 55.9 -63.6 0.0 57 57 A D S S- 0 0 9 303,-0.1 305,-0.1 2,-0.1 -2,-0.1 -0.289 87.2-118.5-106.1-169.8 55.2 -67.1 1.4 58 58 A F + 0 0 4 -5,-0.1 2,-0.3 -2,-0.1 62,-0.0 0.126 67.5 119.9-123.7 19.9 57.5 -70.0 2.4 59 59 A V - 0 0 0 61,-0.1 -5,-2.6 59,-0.0 2,-0.8 -0.627 59.2-137.5 -83.2 146.2 56.4 -72.7 -0.0 60 60 A K E -D 117 0D 0 57,-2.4 57,-1.1 -2,-0.3 2,-0.9 -0.868 21.0-169.1-106.0 94.8 59.0 -74.0 -2.4 61 61 A F E > -D 116 0D 3 -2,-0.8 4,-1.8 -9,-0.2 55,-0.2 -0.781 6.5-159.8 -89.4 103.7 57.2 -74.3 -5.7 62 62 A G H > S+ 0 0 2 53,-2.4 4,-2.0 -2,-0.9 5,-0.2 0.739 79.7 58.8 -55.6 -33.2 59.5 -76.3 -8.0 63 63 A F H > S+ 0 0 0 52,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.987 113.7 34.0 -67.6 -58.2 58.1 -75.2 -11.4 64 64 A P H > S+ 0 0 0 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.829 116.4 58.7 -67.9 -24.9 58.6 -71.4 -11.1 65 65 A M H X S+ 0 0 2 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.907 108.1 44.9 -67.7 -40.2 61.8 -72.0 -9.1 66 66 A A H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.918 112.1 51.8 -67.7 -44.0 63.3 -74.0 -11.9 67 67 A Y H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 5,-0.2 0.927 108.7 51.9 -57.1 -45.8 62.2 -71.4 -14.5 68 68 A T H X S+ 0 0 1 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.936 110.2 48.5 -56.2 -47.8 63.9 -68.8 -12.4 69 69 A A H X S+ 0 0 2 -4,-2.0 4,-2.5 2,-0.2 5,-0.2 0.897 110.4 51.0 -60.7 -42.8 67.1 -70.7 -12.3 70 70 A T H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.942 113.2 44.2 -62.0 -47.3 67.1 -71.3 -16.1 71 71 A V H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.875 113.6 49.9 -67.2 -38.7 66.5 -67.6 -16.9 72 72 A L H X S+ 0 0 2 -4,-2.5 4,-1.7 -5,-0.2 -1,-0.2 0.931 113.6 46.1 -65.4 -43.4 69.1 -66.4 -14.3 73 73 A A H X S+ 0 0 0 -4,-2.5 4,-1.9 -5,-0.2 -2,-0.2 0.907 109.0 56.8 -63.9 -40.5 71.7 -68.9 -15.8 74 74 A W H X S+ 0 0 1 -4,-2.5 4,-2.4 1,-0.2 5,-0.3 0.924 108.0 46.4 -56.2 -47.6 70.7 -67.8 -19.3 75 75 A G H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.854 110.0 54.2 -65.0 -34.9 71.6 -64.2 -18.5 76 76 A L H < S+ 0 0 5 -4,-1.7 -1,-0.2 2,-0.2 -2,-0.2 0.816 111.6 45.7 -67.6 -32.1 74.8 -65.2 -16.9 77 77 A I H < S+ 0 0 36 -4,-1.9 3,-0.5 -3,-0.2 -2,-0.2 0.935 122.4 32.2 -76.6 -50.0 75.9 -67.1 -20.0 78 78 A D H < S+ 0 0 39 -4,-2.4 -2,-0.2 1,-0.2 -3,-0.2 0.768 132.9 29.1 -80.8 -27.6 75.0 -64.5 -22.6 79 79 A F >X + 0 0 5 -4,-2.3 3,-1.4 -5,-0.3 4,-1.0 -0.196 68.5 137.2-129.1 44.5 75.7 -61.3 -20.6 80 80 A E H 3> S+ 0 0 91 -3,-0.5 4,-2.7 1,-0.3 3,-0.2 0.844 71.0 65.4 -56.8 -35.3 78.4 -62.4 -18.1 81 81 A A H 3> S+ 0 0 57 1,-0.2 4,-2.7 2,-0.2 -1,-0.3 0.820 96.0 57.3 -58.0 -32.9 80.2 -59.1 -18.8 82 82 A G H <> S+ 0 0 0 -3,-1.4 4,-1.4 2,-0.2 -1,-0.2 0.925 108.9 43.9 -65.0 -44.4 77.2 -57.3 -17.2 83 83 A Y H <>S+ 0 0 1 -4,-1.0 5,-3.2 -3,-0.2 6,-0.4 0.931 114.9 49.8 -65.2 -45.4 77.7 -59.2 -14.0 84 84 A S H ><5S+ 0 0 54 -4,-2.7 3,-1.5 1,-0.2 -2,-0.2 0.911 108.8 51.1 -60.3 -44.9 81.5 -58.7 -14.1 85 85 A S H 3<5S+ 0 0 75 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.824 111.2 49.3 -62.9 -30.8 81.2 -55.0 -14.7 86 86 A A T 3<5S- 0 0 2 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.421 114.1-120.4 -87.0 0.7 78.8 -54.8 -11.7 87 87 A G T < 5S+ 0 0 70 -3,-1.5 -3,-0.2 -4,-0.2 4,-0.1 0.866 85.4 111.9 61.9 36.5 81.3 -56.8 -9.6 88 88 A A >< + 0 0 3 -5,-3.2 4,-2.6 -6,-0.1 -4,-0.2 0.121 27.2 111.5-127.4 21.2 78.6 -59.4 -9.1 89 89 A L H > S+ 0 0 29 -6,-0.4 4,-2.3 2,-0.2 5,-0.2 0.945 82.5 47.0 -61.8 -49.7 79.8 -62.4 -11.1 90 90 A D H > S+ 0 0 109 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.924 115.4 46.2 -58.0 -46.1 80.4 -64.5 -7.9 91 91 A D H > S+ 0 0 29 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.872 108.9 55.5 -65.7 -37.3 77.0 -63.6 -6.5 92 92 A G H X S+ 0 0 1 -4,-2.6 4,-1.4 1,-0.2 -1,-0.2 0.927 110.3 45.8 -60.6 -44.0 75.3 -64.2 -9.8 93 93 A R H X S+ 0 0 47 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.896 110.6 53.4 -64.9 -40.7 76.7 -67.7 -9.8 94 94 A K H X S+ 0 0 81 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.849 104.4 56.2 -63.8 -34.0 75.8 -68.3 -6.2 95 95 A A H X S+ 0 0 3 -4,-2.1 4,-0.8 2,-0.2 -1,-0.2 0.885 111.2 43.3 -65.3 -39.5 72.2 -67.3 -7.0 96 96 A V H >X S+ 0 0 0 -4,-1.4 4,-2.4 1,-0.2 3,-0.7 0.936 113.3 51.4 -70.2 -46.4 72.0 -70.0 -9.6 97 97 A K H 3X S+ 0 0 63 -4,-2.7 4,-2.6 1,-0.2 5,-0.3 0.795 98.7 64.7 -63.3 -28.5 73.7 -72.6 -7.4 98 98 A W H 3X S+ 0 0 44 -4,-1.9 -47,-0.8 -5,-0.2 4,-0.7 0.905 111.4 38.0 -62.2 -36.2 71.4 -71.9 -4.5 99 99 A A H S-F 112 0E 55 3,-1.2 3,-2.1 -3,-0.2 -1,-0.1 -0.961 88.8 -96.6-153.3 159.0 66.0 -91.1 -7.9 110 110 A Q T 3 S+ 0 0 107 -2,-0.3 77,-0.2 1,-0.3 -1,-0.1 0.883 126.3 26.7 -48.0 -45.7 66.7 -91.1 -11.6 111 111 A N T 3 S+ 0 0 57 76,-0.1 33,-0.5 75,-0.1 2,-0.4 -0.169 110.9 83.1-111.7 39.8 63.0 -91.0 -12.4 112 112 A E B < +F 109 0E 37 -3,-2.1 -3,-1.2 31,-0.2 2,-0.4 -0.996 49.6 174.0-141.6 133.5 61.8 -89.3 -9.2 113 113 A F E - E 0 142D 1 29,-2.4 29,-2.7 -2,-0.4 2,-0.6 -0.961 27.6-135.3-147.6 126.2 61.7 -85.6 -8.4 114 114 A Y E + E 0 141D 1 -8,-2.6 27,-0.3 -2,-0.4 3,-0.1 -0.686 22.8 178.4 -80.6 120.7 60.4 -83.6 -5.5 115 115 A G E + 0 0 0 25,-1.8 -53,-2.4 -2,-0.6 -52,-0.4 0.389 59.2 26.6-104.3 2.8 58.5 -80.6 -6.9 116 116 A Q E -DE 61 140D 0 24,-1.3 24,-2.1 -55,-0.2 2,-0.4 -0.957 46.9-169.0-165.6 144.1 57.3 -79.0 -3.7 117 117 A V E +DE 60 139D 0 -57,-1.1 -57,-2.4 -2,-0.3 22,-0.2 -0.989 69.1 27.1-134.9 124.5 57.9 -78.6 -0.0 118 118 A G S S- 0 0 0 20,-2.9 2,-0.4 -2,-0.4 19,-0.2 0.134 83.1-102.0 99.5 142.0 55.2 -77.0 2.2 119 119 A Q > - 0 0 62 17,-0.4 4,-2.7 1,-0.1 5,-0.4 -0.825 23.3-125.7-101.0 140.2 51.5 -77.0 1.5 120 120 A G H > S+ 0 0 0 -2,-0.4 4,-2.7 1,-0.2 5,-0.2 0.911 106.2 37.5 -45.5 -58.5 49.7 -73.9 0.1 121 121 A D H > S+ 0 0 109 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.921 117.0 47.7 -64.5 -49.0 47.1 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H 3> S+ 0 0 73 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.877 97.1 48.9 -57.2 -37.0 70.9 -86.0 -30.6 231 231 A Y H <> S+ 0 0 24 -3,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.862 110.1 50.2 -71.6 -35.4 69.5 -83.3 -28.4 232 232 A L H X S+ 0 0 20 -4,-0.8 4,-2.8 2,-0.2 5,-0.3 0.930 110.7 49.6 -67.5 -44.5 69.2 -80.8 -31.2 233 233 A N H X S+ 0 0 101 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.915 113.5 46.2 -59.6 -44.4 67.4 -83.3 -33.4 234 234 A T H X S+ 0 0 38 -4,-2.0 4,-2.8 -5,-0.2 5,-0.3 0.929 111.7 51.8 -64.7 -45.3 65.0 -84.1 -30.6 235 235 A A H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.943 116.1 39.5 -56.5 -51.0 64.5 -80.4 -29.9 236 236 A E H X S+ 0 0 23 -4,-2.8 4,-2.0 2,-0.2 -1,-0.2 0.838 113.8 54.7 -70.0 -33.6 63.7 -79.6 -33.5 237 237 A S H X S+ 0 0 69 -4,-2.4 4,-2.6 -5,-0.3 -2,-0.2 0.937 113.4 41.4 -65.0 -46.2 61.7 -82.7 -34.1 238 238 A L H X S+ 0 0 9 -4,-2.8 4,-3.3 2,-0.2 5,-0.3 0.875 109.4 59.6 -68.8 -37.9 59.4 -81.9 -31.1 239 239 A Y H X>S+ 0 0 6 -4,-2.2 5,-1.9 -5,-0.3 4,-0.6 0.929 113.1 38.7 -55.7 -45.9 59.3 -78.2 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4,-1.7 1,-0.2 -1,-0.2 0.887 112.6 48.9 -59.0 -40.4 57.0 -61.1 -35.6 280 280 A Y H X S+ 0 0 30 -4,-1.7 4,-1.9 -5,-0.2 -2,-0.2 0.951 115.4 42.0 -64.9 -51.1 56.5 -61.5 -31.9 281 281 A V H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 5,-0.3 0.923 113.3 51.6 -63.2 -46.7 58.8 -58.6 -30.9 282 282 A N H X S+ 0 0 63 -4,-3.1 4,-2.5 1,-0.2 5,-0.4 0.889 109.3 53.1 -57.7 -39.0 57.5 -56.3 -33.7 283 283 A Y H X>S+ 0 0 110 -4,-1.7 4,-3.0 -5,-0.3 5,-2.1 0.917 110.0 46.8 -62.1 -45.5 54.0 -57.0 -32.4 284 284 A L H <5S+ 0 0 3 -4,-1.9 -2,-0.2 3,-0.2 -1,-0.2 0.950 116.2 42.9 -62.0 -51.7 54.9 -56.1 -28.8 285 285 A I H <5S+ 0 0 35 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.883 127.9 29.3 -63.1 -41.3 56.6 -52.8 -29.7 286 286 A N H <5S+ 0 0 112 -4,-2.5 -2,-0.2 -5,-0.3 -3,-0.2 0.769 135.9 9.2 -94.3 -28.0 54.0 -51.7 -32.3 287 287 A N T <5S+ 0 0 118 -4,-3.0 -3,-0.2 -5,-0.4 3,-0.1 0.787 81.5 109.8-125.4 -40.5 50.7 -53.3 -31.1 288 288 A Q S - 0 0 5 4,-2.7 3,-2.4 -2,-0.3 107,-0.2 -0.380 43.8 -99.9 -75.2 162.7 49.7 -48.1 -20.5 292 292 A P 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302 A G T 3> S+ 0 0 0 107,-0.5 4,-2.3 -2,-0.5 -1,-0.3 0.927 79.7 174.2 50.4 50.6 52.8 -59.7 -12.4 303 303 A T H <> S+ 0 0 2 -3,-0.6 4,-1.8 1,-0.2 -5,-0.3 0.911 75.8 42.6 -54.5 -50.0 52.4 -56.9 -14.9 304 304 A L H > S+ 0 0 3 89,-2.6 4,-2.9 88,-0.3 5,-0.2 0.871 110.1 58.4 -67.1 -36.1 56.0 -55.6 -14.5 305 305 A R H > S+ 0 0 11 88,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.904 107.5 47.5 -58.3 -42.6 57.3 -59.2 -14.6 306 306 A H H X S+ 0 0 24 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.901 112.6 47.9 -66.9 -40.8 55.6 -59.7 -18.0 307 307 A A H X S+ 0 0 2 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.897 113.3 48.0 -67.2 -40.0 57.1 -56.4 -19.4 308 308 A A H X S+ 0 0 4 -4,-2.9 4,-1.9 2,-0.2 -1,-0.2 0.845 110.0 52.3 -69.5 -34.1 60.6 -57.3 -18.1 309 309 A N H X S+ 0 0 2 -4,-2.0 4,-2.0 -5,-0.2 -2,-0.2 0.928 110.4 48.2 -66.1 -44.0 60.3 -60.8 -19.6 310 310 A A H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.919 108.6 54.9 -60.6 -42.7 59.4 -59.2 -22.9 311 311 A A H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.887 107.0 50.8 -58.8 -39.0 62.3 -56.8 -22.5 312 312 A F H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.905 107.3 51.6 -68.0 -38.9 64.6 -59.8 -22.1 313 313 A I H X S+ 0 0 1 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.888 109.8 51.6 -63.0 -37.0 63.4 -61.5 -25.2 314 314 A M H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.886 108.6 50.0 -66.1 -39.5 64.0 -58.3 -27.1 315 315 A L H X S+ 0 0 2 -4,-1.9 4,-1.2 2,-0.2 -2,-0.2 0.873 112.3 47.3 -67.4 -36.7 67.5 -58.1 -25.8 316 316 A E H X S+ 0 0 4 -4,-2.2 4,-0.6 2,-0.2 -2,-0.2 0.874 110.9 52.2 -70.9 -36.6 68.2 -61.7 -26.9 317 317 A A H ><>S+ 0 0 0 -4,-2.3 5,-1.7 1,-0.2 3,-1.0 0.879 104.8 55.8 -65.9 -37.3 66.6 -61.0 -30.3 318 318 A A H ><5S+ 0 0 3 -4,-2.1 3,-1.6 1,-0.3 6,-0.2 0.853 100.1 59.8 -63.1 -34.2 68.9 -58.0 -30.7 319 319 A E H 3<5S+ 0 0 92 -4,-1.2 -1,-0.3 1,-0.3 -2,-0.2 0.726 97.9 59.6 -66.2 -21.2 71.9 -60.3 -30.1 320 320 A L T <<5S- 0 0 37 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.529 125.7-103.4 -82.5 -7.7 70.7 -62.3 -33.2 321 321 A G T < 5S+ 0 0 58 -3,-1.6 2,-0.7 1,-0.3 3,-0.2 0.534 74.4 145.3 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