==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 10-APR-12 4EL8 . COMPND 2 MOLECULE: GLYCOSIDE HYDROLASE FAMILY 48; . SOURCE 2 ORGANISM_SCIENTIFIC: CALDICELLULOSIRUPTOR BESCII; . AUTHOR P.M.ALAHUHTA,V.V.LUNIN . 621 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21075.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 404 65.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 80 12.9 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 . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 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 . 1 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 . 30 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 64 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 193 31.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 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 2 0 0 0 1 1 1 0 0 2 0 0 0 5 2 0 1 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 11 8 3 1 0 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 ANTIPARALLEL BRIDGES PER LADDER . 5 3 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 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 G > 0 0 81 0, 0.0 4,-0.6 0, 0.0 619,-0.1 0.000 360.0 360.0 360.0 158.1 22.0 -26.1 22.5 2 8 A E H > + 0 0 97 2,-0.2 4,-2.0 1,-0.2 3,-0.3 0.877 360.0 42.9 -77.0 -52.6 24.2 -23.3 24.0 3 9 A Y H > S+ 0 0 10 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.755 116.4 54.2 -68.4 -21.3 22.6 -19.9 23.6 4 10 A G H > S+ 0 0 4 2,-0.2 4,-2.4 3,-0.1 -1,-0.2 0.693 100.2 58.9 -78.6 -24.6 19.4 -21.6 24.6 5 11 A Q H X S+ 0 0 136 -4,-0.6 4,-3.2 -3,-0.3 -2,-0.2 0.984 104.4 52.4 -59.1 -59.1 21.2 -22.9 27.7 6 12 A R H X S+ 0 0 26 -4,-2.0 4,-1.6 1,-0.2 -2,-0.2 0.822 109.0 49.0 -35.8 -49.4 21.7 -19.1 28.4 7 13 A F H X S+ 0 0 0 -4,-1.1 4,-3.0 2,-0.2 -1,-0.2 0.942 111.0 49.1 -62.8 -49.7 17.9 -18.6 27.9 8 14 A M H X S+ 0 0 61 -4,-2.4 4,-1.8 1,-0.2 5,-0.3 0.928 107.3 56.5 -55.2 -47.4 17.1 -21.5 30.3 9 15 A W H X S+ 0 0 78 -4,-3.2 4,-0.5 1,-0.2 -1,-0.2 0.880 116.4 34.4 -50.5 -47.6 19.5 -20.1 32.9 10 16 A L H X S+ 0 0 0 -4,-1.6 4,-2.4 -5,-0.2 -1,-0.2 0.801 107.8 69.0 -81.0 -32.3 17.7 -16.7 33.0 11 17 A W H X S+ 0 0 19 -4,-3.0 4,-1.5 1,-0.2 -2,-0.2 0.895 108.1 35.4 -55.0 -43.7 14.2 -18.2 32.4 12 18 A N H < S+ 0 0 82 -4,-1.8 4,-0.3 2,-0.3 -1,-0.2 0.566 106.9 64.7 -95.7 -5.5 14.2 -19.8 35.8 13 19 A K H >< S+ 0 0 42 -4,-0.5 3,-0.5 -5,-0.3 6,-0.2 0.881 111.4 41.9 -64.5 -40.0 16.0 -17.0 37.5 14 20 A I H 3< S+ 0 0 1 -4,-2.4 7,-0.5 1,-0.2 -2,-0.3 0.889 118.1 45.2 -68.1 -41.5 12.8 -15.3 36.4 15 21 A H T 3< S+ 0 0 53 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.300 85.6 105.7 -91.1 8.5 10.5 -18.2 37.5 16 22 A D X> - 0 0 72 -3,-0.5 3,-1.7 -4,-0.3 4,-1.1 -0.816 65.1-147.4 -89.6 112.6 12.2 -18.9 40.8 17 23 A P G >4 S+ 0 0 115 0, 0.0 3,-0.8 0, 0.0 -1,-0.2 0.869 94.4 69.9 -44.0 -44.3 9.9 -17.6 43.6 18 24 A A G 34 S+ 0 0 79 1,-0.2 -5,-0.1 2,-0.1 514,-0.0 0.841 99.0 46.3 -36.7 -49.8 13.0 -16.7 45.6 19 25 A N G <4 S- 0 0 13 -3,-1.7 -1,-0.2 -6,-0.2 -5,-0.1 0.791 102.6-140.6 -78.1 -28.8 13.9 -13.9 43.2 20 26 A G << + 0 0 23 -4,-1.1 -2,-0.1 -3,-0.8 -5,-0.1 0.976 47.6 148.0 75.9 63.2 10.4 -12.5 43.2 21 27 A Y + 0 0 3 -7,-0.5 8,-2.6 -5,-0.2 2,-0.3 0.561 67.5 49.8 -96.1 -15.4 9.4 -11.3 39.7 22 28 A F B S-A 28 0A 38 6,-0.3 2,-0.1 -5,-0.1 -1,-0.0 -0.885 78.6-124.8-124.5 153.6 5.8 -12.2 40.2 23 29 A N > - 0 0 9 4,-2.0 3,-2.5 -2,-0.3 -2,-0.1 -0.315 49.9 -83.3 -84.0 178.1 3.1 -11.5 42.8 24 30 A Q T 3 S+ 0 0 150 1,-0.3 -1,-0.1 2,-0.1 126,-0.0 0.664 131.8 53.2 -60.4 -17.8 1.2 -14.3 44.6 25 31 A D T 3 S- 0 0 38 2,-0.1 -1,-0.3 124,-0.1 124,-0.0 0.402 121.4-105.5 -93.5 -1.5 -1.3 -14.4 41.6 26 32 A G S < S+ 0 0 23 -3,-2.5 -2,-0.1 1,-0.3 51,-0.1 0.716 72.6 145.3 79.5 21.8 1.5 -14.8 39.0 27 33 A I - 0 0 0 50,-0.1 -4,-2.0 122,-0.0 -1,-0.3 -0.838 49.5-127.2 -88.5 117.6 1.2 -11.2 37.8 28 34 A P B -A 22 0A 0 0, 0.0 -6,-0.3 0, 0.0 2,-0.1 -0.415 18.3-130.7 -70.3 141.7 4.7 -10.0 36.9 29 35 A Y - 0 0 20 -8,-2.6 577,-0.3 17,-0.1 17,-0.2 -0.433 20.8-115.3 -78.0 159.8 5.9 -6.8 38.5 30 36 A H S S- 0 0 8 15,-2.4 576,-2.0 13,-0.9 577,-0.4 0.872 97.7 -9.9 -57.8 -38.2 7.5 -4.0 36.5 31 37 A S B -B 605 0B 1 12,-1.8 -1,-0.3 14,-0.3 574,-0.2 -0.977 60.0-121.1-162.0 152.5 10.6 -4.8 38.4 32 38 A V S S+ 0 0 21 572,-2.0 2,-0.2 -2,-0.3 -1,-0.1 0.941 100.1 70.0 -61.9 -48.9 11.9 -6.8 41.4 33 39 A E S S- 0 0 33 571,-0.2 -2,-0.1 1,-0.1 3,-0.0 -0.501 72.2-156.9 -69.6 138.3 13.2 -3.6 43.1 34 40 A T S S+ 0 0 24 -2,-0.2 9,-3.6 1,-0.2 2,-1.8 0.847 75.1 79.2 -87.7 -38.9 10.2 -1.5 44.3 35 41 A L + 0 0 0 7,-0.2 2,-0.3 8,-0.1 -1,-0.2 -0.546 68.2 114.9 -77.5 85.9 12.0 1.9 44.4 36 42 A I - 0 0 1 -2,-1.8 2,-0.3 5,-0.1 7,-0.1 -0.978 36.8-178.9-152.9 145.9 11.9 2.7 40.8 37 43 A C + 0 0 0 -2,-0.3 4,-0.3 5,-0.1 143,-0.1 -0.919 36.6 106.1-154.7 118.9 10.1 5.5 38.9 38 44 A E S S- 0 0 57 2,-3.3 141,-0.3 -2,-0.3 3,-0.1 0.274 100.3 -7.8-160.0 -61.6 10.2 6.1 35.1 39 45 A A S S+ 0 0 46 1,-0.5 2,-0.1 140,-0.1 -2,-0.0 0.602 143.6 36.1-112.9 -62.6 7.0 5.1 33.3 40 46 A P S S- 0 0 2 0, 0.0 -2,-3.3 0, 0.0 -1,-0.5 -0.505 86.3-138.4 -70.5 164.0 5.3 3.5 36.3 41 47 A D S S+ 0 0 2 -4,-0.3 2,-0.3 1,-0.2 -5,-0.1 0.326 83.0 37.3-106.9 8.5 6.2 5.4 39.5 42 48 A Y S > S- 0 0 24 -7,-0.1 3,-1.6 1,-0.1 -1,-0.2 -0.954 78.1-126.4-161.8 141.3 6.8 2.3 41.7 43 49 A G T 3 S+ 0 0 0 -9,-3.6 -12,-1.8 1,-0.3 -13,-0.9 0.734 103.0 55.3 -70.5 -31.2 8.3 -1.1 40.9 44 50 A H T 3 S+ 0 0 31 -10,-0.2 106,-0.7 -15,-0.2 105,-0.6 0.201 88.8 92.0 -96.0 16.7 5.6 -3.4 42.0 45 51 A L E < S-C 148 0C 0 -3,-1.6 -15,-2.4 103,-0.2 -14,-0.3 -0.602 70.7-152.3 -79.2 164.6 3.1 -1.6 39.8 46 52 A T E -C 147 0C 0 101,-2.5 101,-2.8 -2,-0.2 2,-0.3 -0.944 6.4-139.3-139.4 170.3 3.0 -3.3 36.4 47 53 A T E > -C 146 0C 13 -2,-0.3 4,-1.7 99,-0.2 99,-0.2 -0.806 29.4-114.3-129.7 157.1 2.2 -2.5 32.8 48 54 A S H > S+ 0 0 1 97,-1.9 4,-1.7 -2,-0.3 5,-0.1 0.841 119.4 58.3 -52.3 -37.9 0.5 -3.9 29.8 49 55 A E H > S+ 0 0 17 96,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.890 99.9 54.6 -60.9 -45.6 4.0 -4.1 28.3 50 56 A A H > S+ 0 0 2 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.922 109.2 49.3 -54.3 -47.2 5.3 -6.3 31.1 51 57 A F H X S+ 0 0 0 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.871 108.6 52.1 -60.4 -40.7 2.5 -8.8 30.4 52 58 A S H X S+ 0 0 0 -4,-1.7 4,-1.6 1,-0.2 -2,-0.2 0.911 110.3 48.5 -67.4 -39.0 3.2 -8.7 26.7 53 59 A Y H X S+ 0 0 3 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.847 107.6 56.6 -65.8 -34.8 6.9 -9.6 27.4 54 60 A Y H X S+ 0 0 10 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.965 107.4 47.2 -61.3 -51.9 5.8 -12.3 29.7 55 61 A V H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.872 113.0 50.8 -54.2 -37.7 3.7 -14.0 26.9 56 62 A W H X S+ 0 0 6 -4,-1.6 4,-2.0 1,-0.2 -1,-0.2 0.872 105.7 53.7 -72.0 -39.2 6.7 -13.6 24.6 57 63 A L H X S+ 0 0 0 -4,-2.4 4,-1.5 1,-0.2 -1,-0.2 0.884 112.7 45.7 -61.1 -37.7 9.2 -15.2 27.1 58 64 A E H X S+ 0 0 0 -4,-1.8 4,-3.0 2,-0.2 13,-0.3 0.869 106.1 56.8 -78.8 -37.1 6.9 -18.2 27.3 59 65 A A H X S+ 0 0 0 -4,-2.3 4,-0.8 1,-0.2 -2,-0.2 0.947 112.1 44.5 -53.3 -48.6 6.3 -18.5 23.5 60 66 A V H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.826 111.3 54.0 -65.1 -36.3 10.1 -18.8 23.2 61 67 A Y H X S+ 0 0 20 -4,-1.5 4,-1.0 1,-0.2 6,-0.3 0.956 109.2 47.0 -62.5 -49.5 10.3 -21.2 26.1 62 68 A G H X S+ 0 0 0 -4,-3.0 4,-1.3 1,-0.2 -1,-0.2 0.584 109.8 54.7 -71.6 -12.5 7.7 -23.5 24.5 63 69 A K H < S+ 0 0 49 -4,-0.8 -1,-0.2 -5,-0.2 -2,-0.2 0.880 112.8 41.3 -79.4 -48.5 9.6 -23.3 21.2 64 70 A L H < S+ 0 0 53 -4,-2.1 -2,-0.2 1,-0.1 -3,-0.1 0.629 130.8 29.2 -68.0 -14.7 12.8 -24.4 22.9 65 71 A T H < S- 0 0 59 -4,-1.0 -3,-0.2 -5,-0.1 -2,-0.2 0.764 88.1-126.6-117.4 -41.0 10.9 -27.0 24.9 66 72 A G S < S+ 0 0 11 -4,-1.3 2,-0.8 -5,-0.2 -4,-0.1 0.283 76.3 122.2 91.7 -4.5 7.8 -28.4 23.3 67 73 A D + 0 0 52 -6,-0.3 3,-0.3 1,-0.1 4,-0.2 -0.810 31.3 168.2-101.2 101.0 6.1 -27.3 26.6 68 74 A W > + 0 0 0 -2,-0.8 4,-2.5 1,-0.2 5,-0.1 0.298 55.0 93.4 -96.8 5.4 3.3 -24.8 25.9 69 75 A S H > S+ 0 0 42 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.941 85.1 51.1 -60.3 -49.4 1.8 -24.9 29.4 70 76 A K H > S+ 0 0 53 -3,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.827 111.3 49.0 -60.0 -34.6 3.9 -21.9 30.5 71 77 A F H > S+ 0 0 0 -13,-0.3 4,-2.1 -4,-0.2 5,-0.2 0.958 111.7 47.8 -67.9 -53.4 2.7 -20.0 27.4 72 78 A K H X S+ 0 0 58 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.878 112.0 51.8 -51.3 -42.5 -1.0 -20.9 28.1 73 79 A T H X S+ 0 0 66 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.909 107.0 51.5 -63.3 -46.4 -0.5 -19.9 31.8 74 80 A A H X S+ 0 0 0 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.882 112.9 45.5 -63.0 -39.0 0.9 -16.5 30.9 75 81 A W H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 5,-0.3 0.856 109.1 57.1 -67.7 -37.1 -2.0 -15.7 28.6 76 82 A D H X S+ 0 0 78 -4,-1.9 4,-2.2 -5,-0.2 -2,-0.2 0.955 109.6 43.5 -58.9 -55.3 -4.4 -17.0 31.3 77 83 A T H X S+ 0 0 14 -4,-2.4 4,-3.4 2,-0.2 5,-0.5 0.925 113.0 53.9 -51.5 -51.2 -3.2 -14.5 33.9 78 84 A L H X>S+ 0 0 0 -4,-1.8 5,-0.9 1,-0.2 4,-0.8 0.875 112.3 41.7 -56.5 -47.5 -3.1 -11.7 31.2 79 85 A E H <5S+ 0 0 71 -4,-2.5 4,-0.3 3,-0.2 -1,-0.2 0.885 118.2 48.8 -67.1 -37.4 -6.8 -12.2 30.2 80 86 A K H <5S+ 0 0 138 -4,-2.2 -2,-0.2 -5,-0.3 -3,-0.2 0.935 128.6 15.1 -69.8 -46.1 -7.8 -12.6 33.8 81 87 A Y H <5S+ 0 0 38 -4,-3.4 -3,-0.2 -5,-0.2 -2,-0.1 0.908 127.0 40.4-100.4 -48.1 -6.1 -9.7 35.4 82 88 A M T <5S+ 0 0 0 -4,-0.8 62,-1.9 -5,-0.5 -3,-0.2 0.625 101.0 72.0 -88.2 -15.5 -4.9 -7.1 32.8 83 89 A I S - 0 0 40 -5,-0.2 4,-1.2 -4,-0.1 55,-0.1 -0.097 32.4 -85.9 -75.9-177.2 -13.7 -8.1 32.5 86 92 A A T 4 S+ 0 0 48 1,-0.2 3,-0.2 2,-0.2 -1,-0.1 0.849 131.2 48.4 -58.8 -40.8 -17.4 -7.7 32.1 87 93 A E T 4 S+ 0 0 118 1,-0.2 -1,-0.2 2,-0.1 0, 0.0 0.806 107.6 57.2 -71.2 -31.6 -17.9 -6.3 35.6 88 94 A D T 4 S+ 0 0 11 1,-0.2 -2,-0.2 -5,-0.1 -1,-0.2 0.793 116.3 33.5 -67.5 -29.6 -15.0 -3.9 35.0 89 95 A Q S < S+ 0 0 2 -4,-1.2 2,-0.3 -3,-0.2 -1,-0.2 -0.605 72.0 165.7-136.1 74.3 -16.7 -2.3 31.9 90 96 A P 0 0 44 0, 0.0 123,-0.2 0, 0.0 -3,-0.1 -0.716 360.0 360.0 -90.0 142.4 -20.5 -2.1 32.1 91 97 A M 0 0 71 -2,-0.3 209,-0.1 208,-0.1 210,-0.0 0.405 360.0 360.0-132.3 360.0 -22.4 0.1 29.6 92 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 93 99 A S 0 0 96 0, 0.0 211,-0.4 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 92.3 -25.1 2.5 25.7 94 100 A Y - 0 0 32 209,-0.2 211,-0.1 211,-0.0 205,-0.0 -0.620 360.0-151.4 -98.9 147.2 -22.7 3.9 23.1 95 101 A D > - 0 0 81 3,-0.3 3,-1.7 209,-0.3 30,-0.1 -0.849 0.4-163.7-120.0 93.4 -23.4 6.2 20.1 96 102 A P T 3 S+ 0 0 13 0, 0.0 29,-3.2 0, 0.0 -1,-0.1 0.714 92.3 55.2 -46.2 -28.1 -21.0 5.7 17.1 97 103 A N T 3 S+ 0 0 108 1,-0.3 25,-0.1 27,-0.2 3,-0.1 0.764 121.6 27.3 -78.8 -29.4 -22.1 9.1 15.7 98 104 A K S < S+ 0 0 73 -3,-1.7 -3,-0.3 1,-0.1 -1,-0.3 -0.619 73.7 160.6-128.6 73.0 -21.1 10.9 18.9 99 105 A P - 0 0 0 0, 0.0 207,-2.1 0, 0.0 2,-0.3 0.628 66.9 -7.6 -72.3 -16.3 -18.4 8.7 20.4 100 106 A A - 0 0 1 205,-0.2 2,-0.4 23,-0.2 22,-0.1 -0.980 64.0-111.8-165.7 168.6 -17.0 11.4 22.6 101 107 A T - 0 0 17 -2,-0.3 17,-0.1 -3,-0.0 2,-0.1 -0.952 47.4-110.3-109.6 135.4 -17.1 15.1 23.6 102 108 A Y E +E 117 0D 1 15,-0.6 15,-2.6 18,-0.5 2,-0.4 -0.380 35.7 176.8 -74.2 138.1 -14.0 16.9 22.7 103 109 A A E -E 116 0D 4 13,-0.2 13,-0.2 -2,-0.1 2,-0.0 -0.989 25.0-125.2-132.9 143.3 -11.6 18.2 25.3 104 110 A G - 0 0 3 11,-0.6 2,-0.4 -2,-0.4 270,-0.2 -0.266 11.3-125.2 -80.9 166.9 -8.4 20.0 24.4 105 111 A E - 0 0 21 268,-1.0 2,-0.3 267,-0.3 68,-0.1 -0.889 27.9-155.1-107.0 150.3 -4.8 19.3 25.4 106 112 A W - 0 0 53 -2,-0.4 70,-0.4 2,-0.1 6,-0.1 -0.912 23.4-115.7-136.1 154.8 -2.8 22.0 26.9 107 113 A E S S+ 0 0 73 -2,-0.3 69,-0.2 67,-0.1 -1,-0.1 0.739 93.3 24.9 -65.6 -35.0 0.9 22.9 27.2 108 114 A T S > S- 0 0 50 67,-0.1 3,-1.4 68,-0.1 4,-0.2 -0.902 77.8-114.6-130.4 156.3 1.4 22.6 31.0 109 115 A P G > S+ 0 0 11 0, 0.0 3,-1.6 0, 0.0 65,-0.1 0.787 109.6 68.4 -59.2 -30.0 -0.4 20.7 33.9 110 116 A D G 3 S+ 0 0 83 1,-0.3 -3,-0.0 443,-0.0 443,-0.0 0.651 88.8 64.7 -69.0 -14.9 -1.6 23.9 35.5 111 117 A K G < S+ 0 0 111 -3,-1.4 -1,-0.3 62,-0.1 -4,-0.1 0.583 92.7 125.5 -81.3 -10.0 -4.0 24.6 32.5 112 118 A Y < + 0 0 16 -3,-1.6 2,-0.2 -4,-0.2 91,-0.2 -0.592 23.9 73.6 -88.8 157.9 -5.9 21.5 33.5 113 119 A P S S- 0 0 31 0, 0.0 91,-0.3 0, 0.0 90,-0.2 0.451 82.5-139.9 -63.5 150.4 -8.7 20.4 34.2 114 120 A S E -f 204 0E 2 89,-2.1 91,-2.9 -2,-0.2 2,-0.2 -0.753 11.5-122.9 -93.6 130.7 -9.5 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27.3-132.8 -80.6 135.2 13.1 -4.9 35.2 606 614 A F H > S+ 0 0 0 -576,-2.0 4,-2.7 -2,-0.4 5,-0.2 0.956 106.9 47.5 -53.8 -54.2 10.9 -7.8 34.0 607 615 A W H > S+ 0 0 19 -577,-0.4 4,-2.2 1,-0.2 -1,-0.2 0.863 110.5 52.7 -57.5 -37.7 10.9 -6.6 30.4 608 616 A A H > S+ 0 0 7 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.970 112.5 43.5 -62.3 -49.3 14.7 -6.1 30.5 609 617 A Q H X S+ 0 0 3 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.839 113.1 53.9 -66.3 -33.9 15.3 -9.6 31.7 610 618 A C H X S+ 0 0 0 -4,-2.7 4,-2.5 -5,-0.3 -1,-0.2 0.867 109.4 47.9 -63.5 -38.3 12.7 -10.9 29.2 611 619 A D H X S+ 0 0 0 -4,-2.2 4,-2.8 -5,-0.2 5,-0.2 0.928 110.5 50.3 -69.6 -44.2 14.6 -9.2 26.4 612 620 A I H X S+ 0 0 0 -4,-2.4 4,-1.9 2,-0.2 5,-0.2 0.929 113.2 47.7 -59.9 -45.6 18.0 -10.5 27.5 613 621 A A H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 5,-0.2 0.973 114.2 45.0 -54.8 -59.4 16.4 -14.0 27.6 614 622 A I H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.822 110.0 55.3 -61.1 -34.4 14.7 -13.7 24.2 615 623 A A H X S+ 0 0 0 -4,-2.8 4,-1.7 2,-0.2 -1,-0.2 0.933 110.3 44.7 -66.4 -47.1 17.8 -12.2 22.5 616 624 A N H X S+ 0 0 0 -4,-1.9 4,-1.1 -5,-0.2 3,-0.2 0.938 115.9 47.7 -59.1 -47.0 20.1 -15.1 23.5 617 625 A A H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.817 107.1 57.0 -62.2 -33.4 17.4 -17.6 22.5 618 626 A T H X S+ 0 0 2 -4,-2.0 4,-2.0 -5,-0.2 5,-0.3 0.846 100.2 58.5 -72.2 -31.6 16.9 -15.8 19.2 619 627 A Y H X S+ 0 0 27 -4,-1.7 4,-1.8 -3,-0.2 -1,-0.2 0.851 111.0 42.8 -59.8 -37.0 20.6 -16.3 18.4 620 628 A E H < S+ 0 0 57 -4,-1.1 -2,-0.2 3,-0.2 -1,-0.2 0.929 111.7 52.0 -75.9 -47.1 20.1 -20.1 18.7 621 629 A I H < S+ 0 0 43 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.2 0.862 121.8 33.1 -56.4 -37.1 16.8 -20.2 16.8 622 630 A L H < 0 0 32 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.817 360.0 360.0 -91.5 -34.1 18.3 -18.3 13.9 623 631 A F < 0 0 76 -4,-1.8 -3,-0.2 -5,-0.3 -4,-0.1 0.283 360.0 360.0-133.1 360.0 21.9 -19.7 14.1