==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 09-FEB-12 4DOE . COMPND 2 MOLECULE: 1,4-BETA-GLUCANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CALDICELLULOSIRUPTOR BESCII; . AUTHOR P.M.ALAHUHTA,V.V.LUNIN . 454 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16142.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 299 65.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 28 6.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.9 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 . 24 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 174 38.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.9 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 0 0 0 1 0 0 1 1 1 1 1 2 1 1 0 1 0 0 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 9 1 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 22 A A 0 0 116 0, 0.0 442,-0.2 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 110.8 44.9 -41.0 -20.1 2 23 A S + 0 0 95 440,-3.0 441,-0.2 3,-0.1 2,-0.1 0.195 360.0 81.7-132.9 11.5 44.1 -41.7 -23.7 3 24 A G S S- 0 0 35 439,-0.8 436,-0.0 2,-0.3 441,-0.0 -0.426 87.3 -96.5-116.9-171.9 47.5 -41.1 -25.5 4 25 A S S S+ 0 0 95 -2,-0.1 2,-0.3 2,-0.0 -1,-0.0 0.569 101.1 29.2 -85.8 -11.6 50.8 -42.8 -26.2 5 26 A F S S- 0 0 50 438,-0.1 2,-1.5 437,-0.0 -2,-0.3 -0.938 89.4 -97.0-144.3 161.4 52.7 -41.2 -23.3 6 27 A N > + 0 0 46 -2,-0.3 4,-2.2 1,-0.2 438,-0.2 -0.675 43.2 178.7 -83.0 95.3 52.1 -39.9 -19.9 7 28 A Y H > S+ 0 0 2 -2,-1.5 4,-2.7 436,-1.2 432,-0.2 0.776 74.5 55.1 -75.6 -29.0 51.9 -36.2 -20.9 8 29 A G H > S+ 0 0 0 436,-0.4 4,-2.6 435,-0.3 -1,-0.2 0.903 109.5 46.9 -68.5 -41.1 51.3 -34.9 -17.3 9 30 A E H > S+ 0 0 36 436,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.915 113.8 49.0 -60.6 -44.5 54.4 -36.6 -16.0 10 31 A A H X S+ 0 0 1 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.928 113.7 46.2 -62.2 -48.7 56.3 -35.2 -19.0 11 32 A L H X S+ 0 0 0 -4,-2.7 4,-1.9 2,-0.2 5,-0.3 0.944 112.4 50.8 -56.5 -46.9 54.9 -31.6 -18.4 12 33 A Q H X S+ 0 0 5 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.934 115.3 41.8 -61.3 -44.0 55.6 -31.9 -14.6 13 34 A K H X S+ 0 0 11 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.884 109.8 56.5 -71.4 -40.2 59.2 -32.9 -15.3 14 35 A A H < S+ 0 0 0 -4,-2.6 4,-0.4 1,-0.2 -1,-0.2 0.783 111.7 44.5 -64.1 -30.8 59.8 -30.4 -18.1 15 36 A I H >< S+ 0 0 2 -4,-1.9 3,-1.2 -5,-0.2 4,-0.4 0.861 108.8 56.7 -73.5 -45.5 58.8 -27.6 -15.7 16 37 A M H >X S+ 0 0 0 -4,-2.0 3,-1.7 -5,-0.3 4,-1.0 0.837 89.5 76.6 -56.6 -32.0 60.9 -29.0 -12.9 17 38 A F H >X S+ 0 0 0 -4,-2.0 3,-0.8 1,-0.3 4,-0.6 0.881 86.4 61.0 -44.7 -43.6 63.9 -28.8 -15.2 18 39 A Y H X4 S+ 0 0 1 -3,-1.2 3,-1.1 -4,-0.4 4,-0.4 0.834 93.3 64.4 -60.0 -31.2 64.0 -25.1 -14.6 19 40 A E H X4 S+ 0 0 1 -3,-1.7 3,-1.4 -4,-0.4 -1,-0.2 0.915 99.3 53.2 -54.9 -40.2 64.6 -25.7 -10.8 20 41 A F H << S+ 0 0 1 -4,-1.0 -1,-0.3 -3,-0.8 -2,-0.2 0.663 105.1 54.6 -72.4 -18.8 67.9 -27.3 -11.7 21 42 A Q T << S+ 0 0 1 -3,-1.1 34,-2.9 -4,-0.6 -1,-0.3 0.383 80.6 128.8 -89.2 -7.2 69.0 -24.3 -13.6 22 43 A M B < -A 54 0A 0 -3,-1.4 2,-0.3 -4,-0.4 32,-0.2 -0.320 39.9-163.3 -61.7 138.1 68.4 -21.9 -10.7 23 44 A S + 0 0 0 30,-2.3 2,-0.2 2,-0.1 16,-0.1 -0.903 47.6 20.8-116.9 146.8 71.2 -19.5 -9.8 24 45 A G B S-B 38 0B 0 14,-0.9 14,-1.4 -2,-0.3 2,-0.7 -0.648 109.0 -7.4 102.9-157.4 71.5 -17.6 -6.5 25 46 A K S S- 0 0 134 -2,-0.2 -2,-0.1 12,-0.2 12,-0.1 -0.689 76.1-129.3 -82.6 116.7 70.0 -18.0 -3.1 26 47 A L - 0 0 22 -2,-0.7 2,-0.1 -4,-0.1 11,-0.1 -0.417 17.0-132.4 -74.8 133.4 67.5 -20.8 -3.4 27 48 A P > - 0 0 33 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 -0.397 25.1-106.6 -81.0 162.4 64.0 -20.1 -2.0 28 49 A N T 3 S+ 0 0 173 1,-0.3 -2,-0.1 -2,-0.1 0, 0.0 0.551 111.2 71.3 -69.7 -6.9 62.1 -22.6 0.2 29 50 A W T 3 + 0 0 83 67,-0.0 -1,-0.3 2,-0.0 2,-0.1 0.595 67.5 115.3 -80.0 -12.6 59.7 -23.6 -2.6 30 51 A V < - 0 0 24 -3,-1.7 421,-0.0 1,-0.1 -4,-0.0 -0.418 55.6-154.9 -60.4 137.5 62.4 -25.5 -4.5 31 52 A R + 0 0 22 -2,-0.1 -1,-0.1 -15,-0.1 420,-0.1 0.842 64.7 76.8 -85.0 -41.1 61.5 -29.2 -4.5 32 53 A N - 0 0 11 1,-0.1 421,-0.2 419,-0.1 -2,-0.0 -0.316 59.4-155.1 -77.4 160.0 64.9 -30.8 -4.9 33 54 A N S S+ 0 0 90 419,-1.2 420,-0.1 1,-0.1 -1,-0.1 0.192 81.4 69.8-117.0 17.8 67.5 -31.3 -2.2 34 55 A W S S+ 0 0 26 418,-0.4 2,-0.3 2,-0.1 -1,-0.1 0.656 79.8 74.4-110.8 -22.6 70.6 -31.5 -4.4 35 56 A R - 0 0 15 97,-0.0 2,-0.2 98,-0.0 3,-0.1 -0.723 64.3-175.4 -80.9 142.2 71.1 -27.9 -5.8 36 57 A G - 0 0 25 -2,-0.3 -12,-0.1 1,-0.1 -2,-0.1 -0.718 37.4 -55.5-126.0-174.1 72.4 -25.4 -3.3 37 58 A D + 0 0 69 -2,-0.2 2,-0.3 -11,-0.1 -12,-0.2 -0.274 64.3 164.3 -62.4 142.6 73.1 -21.7 -3.2 38 59 A S B +B 24 0B 5 -14,-1.4 -14,-0.9 1,-0.1 95,-0.2 -0.989 46.3 25.0-155.7 158.2 75.4 -20.5 -5.9 39 60 A A > + 0 0 16 93,-0.5 3,-1.1 -2,-0.3 13,-0.2 0.876 64.5 159.4 55.4 41.1 76.7 -17.4 -7.7 40 61 A L T 3 + 0 0 88 1,-0.2 11,-0.2 -16,-0.2 -1,-0.1 0.672 65.2 56.4 -74.6 -19.1 75.9 -15.3 -4.6 41 62 A K T > S+ 0 0 159 9,-0.1 3,-2.5 8,-0.1 4,-0.4 0.289 73.2 140.3 -91.0 3.4 78.2 -12.5 -5.6 42 63 A D T < S+ 0 0 3 -3,-1.1 8,-2.6 1,-0.3 9,-0.3 -0.330 74.3 13.6 -55.7 125.6 76.6 -11.9 -9.0 43 64 A G T > >S+ 0 0 0 96,-0.4 3,-2.0 6,-0.2 5,-1.9 0.130 91.7 111.7 93.8 -13.3 76.4 -8.2 -9.7 44 65 A Q G X 5 + 0 0 125 -3,-2.5 3,-1.8 1,-0.3 -2,-0.1 0.832 68.6 64.9 -68.3 -25.7 78.8 -7.2 -6.9 45 66 A D G 3 5S+ 0 0 88 -4,-0.4 -1,-0.3 1,-0.3 -3,-0.1 0.690 113.1 36.9 -63.7 -18.6 81.5 -6.0 -9.4 46 67 A N G < 5S- 0 0 55 -3,-2.0 -1,-0.3 2,-0.2 -2,-0.2 0.148 120.3-106.5-119.4 19.9 78.8 -3.4 -10.4 47 68 A G T < 5S+ 0 0 69 -3,-1.8 2,-0.3 1,-0.2 -3,-0.2 0.672 83.3 103.1 70.8 21.2 77.4 -2.7 -6.9 48 69 A L S -C 118 0C 3 -2,-0.7 4,-1.9 -9,-0.3 55,-0.2 -0.911 12.0-160.1-107.5 105.5 72.7 -15.0 -20.9 64 85 A N H > S+ 0 0 1 53,-2.4 4,-2.6 -2,-0.7 5,-0.2 0.706 79.3 66.1 -71.5 -15.1 69.6 -12.9 -20.7 65 86 A L H > S+ 0 0 0 52,-0.3 4,-2.6 2,-0.2 5,-0.2 0.996 112.3 31.9 -70.1 -53.8 68.5 -13.2 -24.4 66 87 A P H > S+ 0 0 0 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.890 118.9 57.2 -69.8 -24.6 67.6 -16.9 -24.2 67 88 A M H X S+ 0 0 2 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.934 110.7 41.6 -67.6 -43.9 66.6 -16.5 -20.6 68 89 A S H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 -1,-0.2 0.868 111.0 55.0 -72.5 -36.5 64.1 -13.8 -21.4 69 90 A Y H X S+ 0 0 0 -4,-2.6 4,-2.4 -5,-0.2 -2,-0.2 0.952 109.5 49.9 -57.7 -43.4 62.8 -15.6 -24.5 70 91 A T H X S+ 0 0 0 -4,-2.6 4,-2.5 -5,-0.2 5,-0.3 0.947 107.6 53.7 -55.9 -48.1 62.3 -18.5 -22.1 71 92 A G H X S+ 0 0 0 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.930 110.2 47.1 -50.6 -52.2 60.4 -16.3 -19.7 72 93 A T H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.927 111.2 49.9 -60.9 -41.2 58.1 -15.1 -22.4 73 94 A M H X S+ 0 0 1 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.849 107.4 53.4 -70.3 -34.5 57.4 -18.6 -23.7 74 95 A L H X S+ 0 0 2 -4,-2.5 4,-1.6 1,-0.2 -1,-0.2 0.921 111.8 46.0 -67.0 -41.7 56.5 -20.0 -20.3 75 96 A S H X S+ 0 0 0 -4,-2.0 4,-2.8 -5,-0.3 -2,-0.2 0.885 108.8 55.7 -68.0 -34.8 54.0 -17.2 -19.7 76 97 A W H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 5,-0.3 0.931 103.5 56.2 -61.5 -38.7 52.6 -17.8 -23.2 77 98 A A H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.919 111.2 42.2 -54.1 -53.1 52.1 -21.4 -22.2 78 99 A V H X S+ 0 0 5 -4,-1.6 4,-1.1 2,-0.2 -1,-0.2 0.882 110.7 57.8 -61.4 -42.8 49.9 -20.3 -19.2 79 100 A Y H < S+ 0 0 92 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.906 118.7 30.0 -56.3 -40.5 48.2 -17.7 -21.3 80 101 A E H < S+ 0 0 41 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.839 134.5 25.3 -83.2 -43.4 47.0 -20.3 -23.8 81 102 A Y H >X + 0 0 7 -4,-2.6 4,-1.6 -5,-0.3 3,-1.1 -0.097 67.9 135.7-123.2 32.4 46.6 -23.4 -21.7 82 103 A K H 3X S+ 0 0 84 -4,-1.1 4,-2.4 1,-0.2 3,-0.2 0.879 74.5 58.6 -48.2 -45.2 46.0 -22.3 -18.1 83 104 A D H 3> S+ 0 0 134 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.818 104.0 51.9 -59.9 -31.4 43.2 -24.8 -17.6 84 105 A A H <> S+ 0 0 4 -3,-1.1 4,-2.0 2,-0.2 6,-0.3 0.885 109.9 48.8 -68.3 -42.2 45.7 -27.7 -18.4 85 106 A F H <>S+ 0 0 0 -4,-1.6 5,-2.2 -3,-0.2 6,-1.6 0.898 112.8 48.5 -64.8 -35.6 48.1 -26.3 -15.8 86 107 A V H ><5S+ 0 0 81 -4,-2.4 3,-1.3 -5,-0.2 -2,-0.2 0.966 112.2 47.4 -70.7 -48.6 45.3 -26.2 -13.3 87 108 A K H 3<5S+ 0 0 150 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.833 114.8 45.6 -60.6 -40.2 44.1 -29.7 -14.0 88 109 A S T 3<5S- 0 0 9 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.421 110.1-119.5 -84.1 -2.6 47.6 -31.3 -13.8 89 110 A G T < 5S+ 0 0 40 -3,-1.3 4,-0.2 -4,-0.4 -3,-0.2 0.759 84.3 114.9 71.8 17.4 48.5 -29.4 -10.6 90 111 A Q >< + 0 0 7 -5,-2.2 4,-2.3 -6,-0.3 5,-0.3 0.501 41.6 89.8-101.8 -3.6 51.3 -27.7 -12.5 91 112 A L H > S+ 0 0 32 -6,-1.6 4,-2.6 1,-0.2 5,-0.3 0.921 86.9 50.9 -58.8 -46.7 50.2 -24.1 -12.4 92 113 A E H > S+ 0 0 118 -7,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.925 111.8 49.2 -61.1 -36.8 51.9 -23.2 -9.1 93 114 A H H > S+ 0 0 30 -4,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.921 111.7 44.6 -71.4 -40.8 55.1 -24.6 -10.3 94 115 A I H X S+ 0 0 2 -4,-2.3 4,-2.6 1,-0.2 5,-0.2 0.950 113.7 51.8 -75.6 -34.3 55.3 -22.9 -13.7 95 116 A L H X S+ 0 0 10 -4,-2.6 4,-2.7 -5,-0.3 5,-0.3 0.902 105.4 55.6 -65.8 -33.5 54.2 -19.6 -12.0 96 117 A N H X S+ 0 0 19 -4,-2.0 4,-2.1 -5,-0.3 -1,-0.2 0.912 111.0 45.0 -61.4 -40.2 57.0 -20.0 -9.4 97 118 A Q H X S+ 0 0 1 -4,-1.5 4,-2.4 2,-0.2 -2,-0.2 0.895 112.2 50.3 -71.8 -39.7 59.5 -20.3 -12.3 98 119 A I H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 5,-0.3 0.914 113.1 47.4 -63.7 -43.8 58.0 -17.3 -14.2 99 120 A E H X S+ 0 0 32 -4,-2.7 4,-2.4 -5,-0.2 -2,-0.2 0.916 110.8 53.4 -64.0 -40.3 58.2 -15.2 -11.0 100 121 A W H X S+ 0 0 35 -4,-2.1 4,-1.3 -5,-0.3 -47,-0.5 0.921 112.4 40.3 -59.3 -54.9 61.7 -16.3 -10.4 101 122 A V H X S+ 0 0 0 -4,-2.4 4,-1.8 2,-0.2 3,-0.3 0.919 114.9 51.0 -67.4 -40.1 63.1 -15.3 -13.7 102 123 A N H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.872 104.7 59.2 -72.3 -25.9 61.2 -12.0 -14.0 103 124 A D H X S+ 0 0 45 -4,-2.4 4,-1.9 -5,-0.3 -1,-0.2 0.904 105.1 49.3 -60.2 -37.9 62.4 -11.1 -10.6 104 125 A Y H X S+ 0 0 1 -4,-1.3 4,-2.2 -3,-0.3 -2,-0.2 0.913 107.2 54.3 -69.4 -38.3 65.9 -11.4 -11.9 105 126 A F H < S+ 0 0 0 -4,-1.8 4,-0.2 1,-0.2 -1,-0.2 0.895 106.2 52.7 -63.8 -37.6 65.1 -9.2 -14.9 106 127 A V H >< S+ 0 0 34 -4,-2.2 3,-1.7 1,-0.2 -1,-0.2 0.916 108.3 50.7 -60.5 -47.0 63.8 -6.5 -12.5 107 128 A K H 3< S+ 0 0 72 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.873 105.2 56.8 -53.6 -38.4 67.1 -6.7 -10.7 108 129 A C T 3< S+ 0 0 0 -4,-2.2 8,-3.0 1,-0.2 -1,-0.3 0.513 96.8 68.9 -73.9 -3.8 68.9 -6.3 -14.0 109 130 A H < + 0 0 8 -3,-1.7 -1,-0.2 -4,-0.2 6,-0.2 -0.636 53.3 148.8-118.4 71.2 67.0 -3.0 -14.6 110 131 A P S S+ 0 0 59 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.592 70.7 27.1 -85.7 -14.6 68.5 -0.6 -11.9 111 132 A S B > S-D 114 0C 70 3,-0.8 3,-2.8 1,-0.1 0, 0.0 -0.946 91.3-106.9-141.4 148.2 68.1 2.7 -14.1 112 133 A K T 3 S+ 0 0 93 1,-0.3 77,-0.2 -2,-0.3 -1,-0.1 0.823 122.2 28.5 -43.2 -43.8 65.4 3.4 -16.8 113 134 A Y T 3 S+ 0 0 49 76,-0.1 33,-0.6 -3,-0.0 2,-0.4 -0.141 104.9 90.2-116.6 39.9 68.1 3.1 -19.6 114 135 A V E < +DE 111 145C 29 -3,-2.8 -3,-0.8 31,-0.2 2,-0.4 -0.981 48.3 169.7-135.3 119.5 70.5 0.7 -17.8 115 136 A Y E - E 0 144C 0 29,-2.4 29,-2.6 -2,-0.4 2,-0.4 -0.952 26.6-144.2-137.6 124.2 70.0 -3.0 -18.3 116 137 A Y E + E 0 143C 9 -8,-3.0 27,-0.3 -2,-0.4 3,-0.1 -0.683 21.5 174.9 -85.2 123.2 72.3 -5.8 -17.2 117 138 A Y E + 0 0 4 25,-2.1 -53,-2.4 -2,-0.4 -52,-0.3 0.430 57.1 30.8-115.1 -2.3 72.2 -8.6 -19.9 118 139 A Q E -CE 63 142C 2 24,-1.1 24,-2.3 -55,-0.2 2,-0.4 -0.971 45.0-170.5-156.1 142.7 74.8 -11.0 -18.7 119 140 A V E +CE 62 141C 0 -57,-1.6 -57,-2.8 -2,-0.3 22,-0.2 -0.989 66.9 35.0-132.0 120.4 76.5 -12.4 -15.6 120 141 A G S S- 0 0 0 20,-3.2 2,-0.5 -2,-0.4 19,-0.2 -0.131 77.5-105.1 114.7 145.6 79.5 -14.6 -16.4 121 142 A D > - 0 0 44 17,-0.4 4,-2.9 1,-0.1 5,-0.3 -0.939 22.8-143.8-101.7 123.8 82.3 -14.7 -18.9 122 143 A G H > S+ 0 0 3 -2,-0.5 4,-2.3 79,-0.4 5,-0.2 0.894 98.5 48.1 -55.1 -43.4 81.8 -17.4 -21.5 123 144 A S H > S+ 0 0 82 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.972 116.8 39.9 -64.4 -50.4 85.5 -18.2 -21.8 124 145 A K H 4 S+ 0 0 92 1,-0.2 4,-0.3 2,-0.2 -2,-0.2 0.879 117.8 49.3 -67.2 -41.8 86.2 -18.4 -18.1 125 146 A D H >< S+ 0 0 2 -4,-2.9 3,-1.1 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111.8 46.2 -62.7 -43.8 61.1 -9.1 -34.5 215 236 A E H > S+ 0 0 0 -4,-0.3 4,-3.4 1,-0.2 5,-0.4 0.882 107.5 57.9 -66.1 -35.5 61.5 -8.5 -30.8 216 237 A L H X S+ 0 0 0 -4,-2.3 4,-1.4 1,-0.2 -1,-0.2 0.905 111.6 41.7 -61.0 -40.4 60.0 -5.0 -31.1 217 238 A S H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.910 116.1 48.4 -64.5 -54.2 56.9 -6.5 -32.5 218 239 A W H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 5,-0.2 0.947 112.6 46.9 -56.9 -46.3 56.8 -9.4 -30.1 219 240 A A H X S+ 0 0 0 -4,-3.4 4,-2.5 1,-0.2 -1,-0.2 0.901 112.0 51.9 -64.5 -38.0 57.3 -7.2 -27.0 220 241 A A H X S+ 0 0 0 -4,-1.4 4,-2.8 -5,-0.4 -1,-0.2 0.888 106.8 53.6 -66.7 -33.9 54.6 -4.7 -28.3 221 242 A V H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.962 111.3 45.0 -60.9 -52.5 52.1 -7.5 -28.7 222 243 A W H X S+ 0 0 0 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.897 113.5 50.5 -60.6 -41.9 52.7 -8.6 -25.1 223 244 A L H X S+ 0 0 0 -4,-2.5 4,-1.4 2,-0.2 6,-0.4 0.917 109.7 50.6 -64.8 -39.2 52.5 -5.0 -24.0 224 245 A Y H X S+ 0 0 43 -4,-2.8 4,-2.7 1,-0.2 3,-0.4 0.923 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0.931 112.7 44.2 -58.9 -44.6 50.2 0.1 -33.9 235 256 A K H X S+ 0 0 59 -4,-2.7 4,-2.6 1,-0.2 5,-0.2 0.957 110.8 53.2 -65.6 -50.7 53.9 -0.5 -33.2 236 257 A A H < S+ 0 0 0 -4,-2.8 4,-0.5 1,-0.2 -1,-0.2 0.913 115.0 41.9 -48.4 -51.0 53.7 -4.3 -33.2 237 258 A E H >< S+ 0 0 34 -4,-2.5 3,-0.8 1,-0.2 4,-0.3 0.888 112.8 54.4 -66.5 -37.0 52.0 -4.1 -36.6 238 259 A S H >< S+ 0 0 71 -4,-2.4 3,-1.5 -5,-0.2 -2,-0.2 0.877 100.4 57.4 -66.2 -46.4 54.3 -1.4 -38.0 239 260 A Y G >< S+ 0 0 27 -4,-2.6 3,-1.9 1,-0.2 -1,-0.2 0.677 82.5 86.4 -68.3 -8.9 57.6 -3.2 -37.2 240 261 A V G X S+ 0 0 3 -3,-0.8 3,-2.0 -4,-0.5 -1,-0.2 0.853 78.4 67.7 -53.5 -31.0 56.4 -6.2 -39.4 241 262 A Q G < S+ 0 0 134 -3,-1.5 -1,-0.3 -4,-0.3 -2,-0.2 0.748 102.2 45.0 -68.8 -21.6 57.9 -4.3 -42.4 242 263 A N G < S+ 0 0 93 -3,-1.9 -1,-0.3 -4,-0.2 -29,-0.3 0.180 84.9 129.1-106.2 20.4 61.4 -4.7 -41.0 243 264 A W S < S- 0 0 2 -3,-2.0 -32,-0.0 -30,-0.2 -3,-0.0 -0.311 74.4 -70.0 -71.4 161.0 61.1 -8.5 -40.0 244 265 A P - 0 0 23 0, 0.0 9,-2.4 0, 0.0 2,-0.3 -0.160 57.2-155.8 -58.3 134.0 63.7 -10.9 -41.2 245 266 A K B -G 252 0D 58 7,-0.3 2,-0.3 -3,-0.1 7,-0.2 -0.744 28.6 -96.5-110.9 151.7 63.7 -11.6 -44.9 246 267 A I S > S- 0 0 53 5,-2.8 3,-2.6 -2,-0.3 5,-0.3 -0.528 71.7 -86.3 -57.8 126.2 64.8 -14.4 -47.2 247 268 A S T 3 S+ 0 0 115 1,-0.3 -1,-0.1 -2,-0.3 3,-0.1 -0.118 110.8 8.1 -55.4 130.5 68.1 -12.9 -48.2 248 269 A G T 3 S+ 0 0 94 1,-0.2 -1,-0.3 -3,-0.1 2,-0.2 0.499 116.0 89.5 81.6 1.8 67.9 -10.6 -51.1 249 270 A S S < S- 0 0 47 -3,-2.6 -1,-0.2 2,-0.2 -4,-0.1 -0.719 77.9-126.7-122.8 174.9 64.1 -10.6 -51.2 250 271 A N S S+ 0 0 150 -2,-0.2 2,-0.5 -3,-0.1 -3,-0.1 0.170 76.8 109.8-100.8 11.0 61.1 -8.7 -49.7 251 272 A T S S- 0 0 77 -5,-0.3 -5,-2.8 1,-0.0 -2,-0.2 -0.790 75.6-116.1 -98.4 123.9 59.6 -12.0 -48.4 252 273 A I B -G 245 0D 31 -2,-0.5 2,-0.8 -7,-0.2 -7,-0.3 -0.368 38.4-107.5 -54.6 133.2 59.5 -12.7 -44.6 253 274 A D + 0 0 44 -9,-2.4 3,-0.3 1,-0.2 -1,-0.1 -0.581 46.4 166.2 -78.1 107.4 61.7 -15.7 -43.9 254 275 A Y + 0 0 17 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I H < S+ 0 0 51 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.926 130.1 20.4 -73.0 -46.8 44.3 -10.1 -32.2 275 296 A T H < S- 0 0 40 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.660 83.5-140.3-103.0 -22.0 43.5 -8.4 -35.5 276 297 A G < + 0 0 37 -4,-2.5 -4,-0.1 -5,-0.5 -3,-0.1 0.451 46.7 157.1 72.3 3.8 42.1 -11.2 -37.7 277 298 A K >> - 0 0 98 -6,-0.4 4,-1.7 1,-0.1 3,-0.9 -0.348 48.7-136.2 -76.6 136.5 44.0 -9.7 -40.7 278 299 A D H 3> S+ 0 0 119 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.797 100.3 69.0 -52.9 -33.6 44.9 -11.9 -43.7 279 300 A I H 3> S+ 0 0 73 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.918 105.2 39.8 -55.3 -43.7 48.4 -10.4 -43.8 280 301 A Y H <> S+ 0 0 8 -3,-0.9 4,-2.4 2,-0.2 5,-0.3 0.898 112.2 54.7 -78.7 -37.9 49.3 -12.2 -40.5 281 302 A K H X S+ 0 0 50 -4,-1.7 4,-2.7 1,-0.2 5,-0.3 0.914 106.9 53.8 -56.8 -40.8 47.5 -15.4 -41.4 282 303 A Q H X S+ 0 0 99 -4,-2.9 4,-1.9 2,-0.2 -2,-0.2 0.925 110.0 47.2 -60.9 -42.0 49.6 -15.5 -44.6 283 304 A I H X S+ 0 0 7 -4,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.963 117.0 39.7 -62.9 -56.8 52.9 -15.2 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-90.7 -15.9 52.6 -30.4 -46.0 294 315 A G < - 0 0 21 -5,-3.1 2,-0.3 -6,-0.2 -1,-0.2 -0.204 25.7-132.7 119.5 151.8 54.6 -27.8 -47.9 295 316 A Y B > S-I 298 0F 71 3,-2.2 3,-1.9 -5,-0.2 -9,-0.0 -0.993 86.7 -6.8-136.7 131.6 54.6 -24.3 -49.0 296 317 A N T 3 S- 0 0 129 -2,-0.3 -1,-0.1 1,-0.3 3,-0.1 0.887 129.7 -58.4 54.9 31.0 55.5 -23.1 -52.6 297 318 A G T 3 S+ 0 0 86 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.602 118.3 101.4 76.7 3.3 56.5 -26.7 -53.3 298 319 A E B < -I 295 0F 85 -3,-1.9 -3,-2.2 0, 0.0 2,-0.3 -0.994 45.3-176.3-128.6 146.3 59.1 -27.0 -50.6 299 320 A R - 0 0 132 -2,-0.4 -8,-0.2 -5,-0.2 -9,-0.1 -0.967 34.3 -94.7-142.2 144.8 59.0 -28.6 -47.2 300 321 A I - 0 0 4 -10,-2.4 10,-0.1 -2,-0.3 -45,-0.0 -0.182 54.1 -92.6 -56.1 153.9 61.4 -28.9 -44.3 301 322 A K - 0 0 127 8,-0.3 8,-2.8 7,-0.1 2,-0.4 -0.309 41.3-157.4 -61.9 141.3 63.5 -32.0 -44.1 302 323 A Y B -J 308 0G 53 6,-0.2 6,-0.2 -3,-0.1 -1,-0.0 -0.983 13.2-126.5-118.4 144.1 62.1 -34.9 -42.2 303 324 A T > - 0 0 6 4,-2.7 3,-2.1 -2,-0.4 105,-0.2 -0.408 36.2-103.6 -73.2 165.4 64.0 -37.8 -40.6 304 325 A P T 3 S+ 0 0 109 0, 0.0 -1,-0.1 0, 0.0 104,-0.1 0.827 121.9 51.1 -63.0 -31.2 62.9 -41.2 -41.5 305 326 A K T 3 S- 0 0 124 2,-0.1 103,-0.0 53,-0.0 -2,-0.0 0.304 127.9 -92.5 -92.5 11.3 61.2 -41.7 -38.2 306 327 A G S < S+ 0 0 27 -3,-2.1 2,-0.5 1,-0.3 47,-0.1 0.563 71.7 143.7 101.8 10.0 59.3 -38.4 -38.5 307 328 A L - 0 0 0 46,-0.1 -4,-2.7 100,-0.1 2,-0.6 -0.712 50.3-130.2 -80.1 127.8 61.2 -35.6 -36.9 308 329 A A B -J 302 0G 0 -2,-0.5 2,-0.6 -6,-0.2 -6,-0.2 -0.661 33.0-155.5 -75.0 117.0 60.9 -32.3 -38.6 309 330 A W + 0 0 29 -8,-2.8 -8,-0.3 -2,-0.6 3,-0.1 -0.858 32.0 160.7-120.6 103.9 64.6 -31.4 -38.8 310 331 A L - 0 0 24 -2,-0.6 2,-0.3 1,-0.3 -1,-0.2 0.797 69.7 -11.7 -88.8 -36.0 65.8 -27.9 -39.1 311 332 A D - 0 0 58 1,-0.0 -1,-0.3 95,-0.0 7,-0.1 -0.969 59.7-115.5-166.1 151.2 69.4 -28.0 -38.0 312 333 A Q S S+ 0 0 120 -2,-0.3 2,-0.8 1,-0.1 3,-0.4 0.723 97.6 75.3 -77.4 -15.1 71.7 -30.5 -36.3 313 334 A W S S- 0 0 109 1,-0.2 107,-0.2 2,-0.1 -1,-0.1 -0.850 121.3 -13.4-101.3 106.4 72.2 -28.3 -33.2 314 335 A G S > S+ 0 0 0 105,-1.0 4,-1.6 -2,-0.8 -1,-0.2 0.940 75.7 164.2 69.6 47.3 69.1 -28.5 -31.0 315 336 A S H > S+ 0 0 0 -3,-0.4 4,-2.3 2,-0.2 -5,-0.2 0.869 74.3 53.0 -58.8 -38.4 66.8 -30.1 -33.5 316 337 A L H > S+ 0 0 0 87,-2.6 4,-3.0 1,-0.2 5,-0.3 0.915 104.7 56.6 -69.0 -39.3 64.3 -31.1 -30.9 317 338 A R H > S+ 0 0 11 86,-0.6 4,-1.9 1,-0.2 5,-0.2 0.941 110.5 43.4 -54.0 -49.0 64.1 -27.5 -29.6 318 339 A Y H X S+ 0 0 19 -4,-1.6 4,-2.2 1,-0.2 -2,-0.2 0.940 116.6 45.5 -69.7 -42.1 63.1 -26.2 -33.0 319 340 A A H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.881 114.4 47.5 -67.2 -45.4 60.6 -28.9 -33.7 320 341 A T H X S+ 0 0 0 -4,-3.0 4,-1.6 2,-0.2 -1,-0.2 0.835 111.7 50.9 -66.8 -33.7 58.9 -28.8 -30.3 321 342 A T H X S+ 0 0 0 -4,-1.9 4,-2.2 -5,-0.3 -2,-0.2 0.933 109.8 49.1 -66.5 -46.0 58.7 -25.0 -30.4 322 343 A T H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.881 106.7 58.8 -62.2 -34.6 57.1 -25.2 -33.9 323 344 A A H X S+ 0 0 0 -4,-2.0 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