==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 21-DEC-11 4AD1 . COMPND 2 MOLECULE: GLYCOSYL HYDROLASE FAMILY 71; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES XYLANISOLVENS; . AUTHOR A.J.THOMPSON,R.J.WILLIAMS,Z.HAKKI,D.S.ALONZI,T.WENNEKES,T.M. . 349 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14514.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 235 67.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 12.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 11 3.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 28 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 88 25.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.3 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 0 0 0 1 0 2 0 1 0 1 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 4 1 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 PARALLEL BRIDGES PER LADDER . 4 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 0 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 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 31 A N 0 0 142 0, 0.0 3,-0.1 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 144.4 14.3 57.1 -8.8 2 32 A N + 0 0 167 1,-0.1 0, 0.0 2,-0.0 0, 0.0 -0.477 360.0 126.6-133.3 59.9 16.2 54.7 -11.2 3 33 A L S S- 0 0 136 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.582 73.3-120.4 -95.2 -14.9 18.7 53.3 -8.7 4 34 A G S S+ 0 0 45 -3,-0.1 339,-0.1 3,-0.0 -2,-0.0 0.826 94.3 94.2 69.3 33.1 18.1 49.6 -9.2 5 35 A T + 0 0 90 2,-0.1 82,-0.1 338,-0.0 -3,-0.0 0.360 52.8 119.9-126.0 -4.1 17.2 49.3 -5.5 6 36 A E S S- 0 0 54 1,-0.1 83,-0.1 -5,-0.0 2,-0.1 -0.254 70.6 -98.5 -67.8 152.0 13.4 49.6 -5.7 7 37 A L - 0 0 21 81,-0.1 2,-0.6 82,-0.1 81,-0.2 -0.391 31.0-134.4 -63.1 143.3 11.0 46.9 -4.5 8 38 A D E > -a 88 0A 0 79,-2.6 81,-2.3 1,-0.1 3,-1.0 -0.932 11.5-163.5-103.8 123.0 9.6 44.6 -7.2 9 39 A Y E 3 S+ 0 0 81 -2,-0.6 -1,-0.1 1,-0.2 79,-0.1 0.228 86.1 61.7 -94.4 13.5 5.8 44.1 -6.8 10 40 A D E 3 S+ 0 0 22 146,-0.0 286,-2.1 2,-0.0 2,-0.5 0.067 87.2 90.2-114.1 18.1 5.7 41.1 -9.1 11 41 A T E < - b 0 296A 0 -3,-1.0 79,-1.7 284,-0.2 2,-0.4 -0.981 60.4-168.3-119.9 118.5 8.0 39.2 -6.7 12 42 A F E -ab 90 297A 2 284,-2.4 286,-2.7 -2,-0.5 2,-0.5 -0.921 4.0-163.0-114.5 126.6 6.2 37.2 -4.0 13 43 A C E -ab 91 298A 0 77,-2.8 79,-2.4 -2,-0.4 2,-0.3 -0.955 22.7-124.2-119.5 121.0 8.1 35.8 -1.0 14 44 A F E -a 92 0A 0 284,-2.6 287,-3.0 -2,-0.5 288,-0.8 -0.461 33.1-168.4 -72.1 122.0 6.4 33.1 1.1 15 45 A Y E -a 93 0A 0 77,-2.5 79,-2.8 -2,-0.3 2,-0.4 -0.922 12.6-157.9-124.1 134.3 6.3 34.2 4.8 16 46 A Y - 0 0 8 -2,-0.4 3,-0.2 77,-0.2 77,-0.1 -0.904 9.8-177.8-113.5 132.6 5.4 32.2 7.9 17 47 A D + 0 0 4 -2,-0.4 53,-0.1 77,-0.2 89,-0.1 -0.055 54.8 104.2-119.1 30.7 4.2 33.9 11.2 18 48 A W + 0 0 32 51,-0.1 2,-0.2 2,-0.1 -1,-0.1 0.302 48.2 112.0 -98.2 8.7 3.9 30.8 13.4 19 49 A Y - 0 0 2 -3,-0.2 51,-2.7 11,-0.1 2,-0.3 -0.591 44.1-179.9 -85.1 142.2 7.1 31.2 15.5 20 50 A G - 0 0 0 9,-2.0 2,-0.3 49,-0.3 11,-0.2 -0.916 22.9-143.1-136.0 163.3 6.8 32.0 19.1 21 51 A S >> - 0 0 13 -2,-0.3 4,-2.9 7,-0.2 5,-0.8 -0.939 29.0-120.8-117.7 153.1 8.7 32.7 22.3 22 52 A E H >5S+ 0 0 130 -2,-0.3 4,-1.5 4,-0.3 -1,-0.1 0.929 114.0 51.1 -46.9 -48.2 7.7 31.7 25.8 23 53 A A H 45S+ 0 0 94 2,-0.2 -1,-0.2 1,-0.2 5,-0.0 0.886 123.0 24.0 -62.0 -47.1 7.7 35.3 26.8 24 54 A I H 45S+ 0 0 82 3,-0.1 -2,-0.2 1,-0.1 -1,-0.2 0.861 138.7 22.4 -91.8 -35.6 5.4 36.7 24.1 25 55 A D H <5S- 0 0 45 -4,-2.9 -3,-0.2 2,-0.2 -2,-0.2 0.468 99.7-110.9-117.9 -7.1 3.4 33.6 23.1 26 56 A G S < - 0 0 62 -2,-0.3 4,-2.0 -7,-0.2 3,-0.2 -0.519 57.7-157.9 -79.2 69.0 8.7 28.6 21.7 29 59 A R B 4 -j 32 0B 53 -2,-2.2 -9,-2.0 1,-0.2 2,-1.2 -0.254 64.1 -1.6 -58.1 135.0 6.1 27.7 19.1 30 60 A H T 4 S+ 0 0 34 2,-0.7 28,-0.2 -11,-0.2 -1,-0.2 -0.128 116.7 79.9 71.9 -34.3 7.4 26.0 16.0 31 61 A W T 4 S+ 0 0 1 -2,-1.2 27,-1.8 -11,-0.2 21,-0.5 0.871 97.5 53.5 -62.4 -34.6 11.0 26.2 17.3 32 62 A A B < S+j 29 0B 39 -4,-2.0 -2,-0.7 19,-0.2 2,-0.3 -0.842 85.3 161.2 -90.9 138.2 9.7 23.2 19.2 33 63 A H E -K 50 0C 56 17,-1.9 17,-3.3 -2,-0.4 19,-0.1 -0.990 40.9-102.5-160.6 148.1 8.2 20.6 16.8 34 64 A A E -K 49 0C 57 -2,-0.3 2,-0.5 15,-0.2 15,-0.2 -0.379 33.4-125.8 -68.6 147.2 7.1 17.0 16.5 35 65 A I - 0 0 31 13,-2.2 230,-0.2 -2,-0.1 13,-0.1 -0.871 30.6-124.2 -91.9 127.7 9.4 14.7 14.6 36 66 A A - 0 0 33 228,-3.2 231,-0.2 -2,-0.5 2,-0.0 -0.503 20.0-119.4 -75.3 137.0 7.3 13.0 11.8 37 67 A P - 0 0 72 0, 0.0 -1,-0.1 0, 0.0 230,-0.0 -0.345 37.2 -96.6 -65.1 157.3 7.2 9.1 11.7 38 68 A D > - 0 0 50 1,-0.1 3,-1.8 4,-0.1 7,-0.1 -0.708 25.9-144.8 -77.4 119.9 8.6 7.5 8.6 39 69 A P T 3 S+ 0 0 91 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.761 103.5 40.7 -55.9 -27.5 5.6 6.7 6.3 40 70 A N T 3 S+ 0 0 151 227,-0.0 -2,-0.0 -3,-0.0 2,-0.0 0.296 99.9 95.6-104.1 6.0 7.4 3.5 5.2 41 71 A G S < S- 0 0 35 -3,-1.8 3,-0.1 1,-0.2 4,-0.1 -0.106 84.7 -74.6 -80.0-172.9 8.6 2.6 8.7 42 72 A G - 0 0 54 1,-0.1 3,-0.4 2,-0.1 2,-0.3 -0.043 44.7 -97.6 -70.8 177.5 6.9 0.2 11.0 43 73 A S S S+ 0 0 124 1,-0.2 -1,-0.1 0, 0.0 0, 0.0 -0.616 107.1 46.8 -77.8 159.5 3.8 0.7 13.1 44 74 A G S S+ 0 0 84 -2,-0.3 2,-0.3 1,-0.2 -1,-0.2 0.799 73.1 160.7 76.1 30.0 4.8 1.6 16.7 45 75 A Q - 0 0 73 -3,-0.4 -1,-0.2 -7,-0.1 3,-0.1 -0.633 27.2-163.2 -77.8 141.9 7.3 4.3 15.9 46 76 A N + 0 0 98 -2,-0.3 -1,-0.0 1,-0.1 0, 0.0 -0.714 18.4 168.6-118.9 77.0 8.1 6.7 18.8 47 77 A P - 0 0 55 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 0.790 27.3-156.1 -66.8 -28.6 9.8 9.5 16.8 48 78 A G - 0 0 44 -13,-0.1 -13,-2.2 -3,-0.1 2,-0.3 -0.409 13.7 -84.4 86.6-165.3 9.8 12.0 19.6 49 79 A T E -K 34 0C 100 -15,-0.2 -15,-0.2 -2,-0.1 -17,-0.0 -0.942 21.5-115.5-140.8 160.6 10.0 15.8 19.4 50 80 A I E -K 33 0C 4 -17,-3.3 -17,-1.9 -2,-0.3 8,-0.2 -0.906 28.5-145.9 -95.8 124.5 12.4 18.6 19.1 51 81 A P - 0 0 76 0, 0.0 -19,-0.2 0, 0.0 -23,-0.2 0.652 22.0-127.3 -75.3 -17.6 12.2 20.6 22.3 52 82 A G + 0 0 2 4,-1.6 -20,-0.2 -21,-0.5 5,-0.2 0.779 55.0 150.2 76.6 25.1 12.8 24.1 20.9 53 83 A T - 0 0 53 3,-1.1 -1,-0.2 -22,-0.1 3,-0.1 -0.306 66.5 -97.6 -75.2 171.6 15.6 24.9 23.4 54 84 A Q S S+ 0 0 102 1,-0.2 3,-0.2 -2,-0.1 -1,-0.1 0.879 127.3 42.6 -56.4 -37.1 18.4 27.2 22.5 55 85 A E S S+ 0 0 71 1,-0.2 2,-0.4 265,-0.0 266,-0.2 0.750 119.9 40.3 -82.1 -27.7 20.5 24.2 21.6 56 86 A S + 0 0 11 264,-0.1 -4,-1.6 -3,-0.1 -3,-1.1 -0.835 66.6 159.2-137.0 95.9 17.8 22.2 19.8 57 87 A I - 0 0 0 -2,-0.4 2,-2.1 2,-0.2 -25,-0.2 -0.747 52.1 -99.9-113.3 161.9 15.3 23.8 17.4 58 88 A A S S+ 0 0 1 -27,-1.8 2,-0.3 -2,-0.3 206,-0.1 -0.350 92.2 79.7 -83.2 58.8 13.2 22.4 14.5 59 89 A S S S- 0 0 0 -2,-2.1 -2,-0.2 -28,-0.1 246,-0.2 -0.970 72.4-136.4-154.4 149.3 15.5 23.4 11.7 60 90 A N S S+ 0 0 7 244,-0.6 264,-3.4 200,-0.4 2,-0.2 0.534 98.3 54.0 -79.3 -10.4 18.7 22.2 10.1 61 91 A F S S- 0 0 7 243,-0.4 264,-0.1 262,-0.2 -4,-0.1 -0.696 82.9-128.5-113.0 173.4 19.8 25.9 10.1 62 92 A Y - 0 0 10 262,-0.5 252,-2.5 252,-0.4 2,-0.1 -0.980 22.8-121.5-131.3 121.6 19.9 28.5 12.8 63 93 A P B > -L 313 0D 2 0, 0.0 3,-1.6 0, 0.0 250,-0.3 -0.336 6.6-140.2 -64.4 137.4 18.3 31.9 12.6 64 94 A Q T 3 S+ 0 0 93 248,-2.3 249,-0.1 1,-0.3 247,-0.0 0.862 109.2 52.6 -56.7 -36.3 20.4 35.0 13.0 65 95 A L T 3 S- 0 0 44 247,-0.5 -1,-0.3 1,-0.2 248,-0.1 0.380 106.4-141.4 -83.6 4.0 17.5 36.4 15.0 66 96 A G < - 0 0 19 -3,-1.6 2,-2.3 1,-0.1 -1,-0.2 -0.227 60.2 -15.2 69.8-159.3 17.4 33.3 17.3 67 97 A R S S- 0 0 53 -5,-0.0 -1,-0.1 -4,-0.0 -13,-0.0 -0.477 90.3-176.2 -78.0 73.6 14.2 31.8 18.6 68 98 A Y - 0 0 7 -2,-2.3 2,-0.5 1,-0.1 -37,-0.1 -0.273 26.9-122.6 -79.8 157.0 12.1 34.8 17.6 69 99 A S > - 0 0 2 1,-0.1 3,-1.4 -49,-0.1 -49,-0.3 -0.870 5.4-149.9 -92.9 129.9 8.4 35.6 18.1 70 100 A S T 3 S+ 0 0 0 -51,-2.7 -50,-0.1 -2,-0.5 -1,-0.1 0.551 101.7 59.3 -68.2 -7.8 6.4 36.3 15.0 71 101 A S T 3 S+ 0 0 15 -52,-0.3 -1,-0.2 38,-0.0 -51,-0.1 0.451 79.0 107.3 -94.9 -5.5 4.3 38.6 17.3 72 102 A D X> - 0 0 42 -3,-1.4 4,-2.5 1,-0.2 3,-0.5 -0.668 60.2-153.4 -83.2 113.4 7.4 40.8 18.3 73 103 A P H 3> S+ 0 0 65 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.826 96.2 53.4 -57.6 -32.6 7.1 44.2 16.6 74 104 A N H 3> S+ 0 0 114 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.851 108.3 49.2 -74.6 -30.5 10.8 44.6 16.7 75 105 A I H <> S+ 0 0 13 -3,-0.5 4,-2.4 2,-0.2 -1,-0.2 0.929 110.5 52.4 -65.6 -45.2 11.3 41.3 14.9 76 106 A L H X S+ 0 0 1 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.898 106.6 52.2 -58.6 -41.8 8.7 42.4 12.3 77 107 A T H X S+ 0 0 58 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.933 110.5 47.7 -58.7 -45.9 10.6 45.7 11.7 78 108 A K H X S+ 0 0 104 -4,-1.6 4,-1.9 1,-0.2 -2,-0.2 0.887 109.8 53.5 -64.0 -40.1 13.8 43.8 11.0 79 109 A H H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.904 107.8 50.0 -60.7 -41.9 12.0 41.4 8.7 80 110 A M H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.897 108.6 52.5 -66.0 -37.3 10.6 44.3 6.7 81 111 A D H X S+ 0 0 81 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.865 108.2 52.1 -62.0 -36.8 14.1 45.7 6.4 82 112 A M H X S+ 0 0 20 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.871 106.9 52.1 -66.0 -40.6 15.2 42.3 5.1 83 113 A F H X>S+ 0 0 0 -4,-2.1 5,-1.6 2,-0.2 4,-0.9 0.890 108.7 51.2 -58.8 -42.2 12.5 42.4 2.5 84 114 A V H ><5S+ 0 0 58 -4,-2.2 3,-0.5 1,-0.2 -2,-0.2 0.904 109.3 50.0 -62.1 -40.5 13.7 45.9 1.4 85 115 A M H 3<5S+ 0 0 82 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.875 113.4 46.0 -65.3 -36.2 17.3 44.5 1.1 86 116 A A H 3<5S- 0 0 0 -4,-2.0 -1,-0.2 2,-0.1 256,-0.2 0.589 104.9-130.6 -82.7 -11.7 16.0 41.6 -1.0 87 117 A R T <<5 + 0 0 19 -4,-0.9 -79,-2.6 -3,-0.5 2,-0.9 0.670 54.8 150.7 64.1 22.1 13.8 43.9 -3.2 88 118 A T E < -a 8 0A 0 -5,-1.6 -1,-0.2 -81,-0.2 -79,-0.1 -0.734 26.0-173.0 -87.5 106.1 10.9 41.6 -2.6 89 119 A G E + 0 0 0 -81,-2.3 31,-3.1 -2,-0.9 2,-0.5 0.649 62.6 57.0 -78.3 -17.4 7.8 43.8 -2.8 90 120 A V E -ac 12 120A 0 -79,-1.7 -77,-2.8 -82,-0.4 2,-0.6 -0.969 61.5-157.9-126.1 123.0 5.1 41.3 -1.8 91 121 A L E -ac 13 121A 0 29,-3.2 31,-2.2 -2,-0.5 2,-1.0 -0.861 13.2-153.6 -93.2 116.3 5.0 39.2 1.4 92 122 A A E -ac 14 122A 0 -79,-2.4 -77,-2.5 -2,-0.6 2,-0.4 -0.800 17.4-149.7 -99.6 97.9 2.8 36.2 0.8 93 123 A L E -ac 15 123A 0 29,-2.7 31,-3.1 -2,-1.0 -77,-0.2 -0.571 11.6-123.1 -82.3 121.9 1.5 35.4 4.3 94 124 A T E - c 0 124A 2 -79,-2.8 2,-0.5 -2,-0.4 -77,-0.2 -0.371 29.1-164.9 -56.6 131.0 0.7 31.8 5.2 95 125 A W E + c 0 125A 23 29,-2.4 31,-2.4 1,-0.1 33,-0.2 -0.946 20.1 170.7-132.4 109.5 -3.0 31.7 6.3 96 126 A W - 0 0 90 -2,-0.5 -1,-0.1 29,-0.1 29,-0.1 0.260 50.8-115.1-103.8 10.1 -4.2 28.6 8.2 97 127 A N + 0 0 32 1,-0.1 -2,-0.1 31,-0.1 28,-0.0 0.953 50.3 168.6 52.7 54.5 -7.7 29.8 9.3 98 128 A E - 0 0 63 2,-0.1 -1,-0.1 1,-0.0 3,-0.1 0.698 26.9-151.7 -72.7 -21.1 -6.6 29.7 13.0 99 129 A Q + 0 0 156 1,-0.2 2,-0.3 2,-0.1 -1,-0.0 0.903 51.2 118.6 48.7 49.6 -9.7 31.6 14.1 100 130 A D S >> S- 0 0 63 1,-0.1 4,-1.8 0, 0.0 3,-0.6 -0.996 72.9-119.1-144.9 156.4 -8.0 33.1 17.2 101 131 A E H 3> S+ 0 0 169 -2,-0.3 4,-2.1 1,-0.2 5,-0.1 0.776 107.6 61.3 -64.2 -29.9 -7.1 36.5 18.5 102 132 A T H 3> S+ 0 0 69 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.893 108.3 44.1 -67.8 -35.9 -3.3 36.0 18.6 103 133 A E H <> S+ 0 0 7 -3,-0.6 4,-2.7 2,-0.2 5,-0.2 0.888 109.7 55.0 -73.3 -41.4 -3.3 35.4 14.8 104 134 A A H X S+ 0 0 31 -4,-1.8 4,-1.8 1,-0.2 -2,-0.2 0.910 109.7 49.4 -53.6 -42.4 -5.6 38.4 14.1 105 135 A K H X S+ 0 0 134 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.916 109.5 50.3 -64.9 -44.8 -3.1 40.5 16.0 106 136 A R H X S+ 0 0 3 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.903 107.5 53.2 -60.6 -43.9 -0.1 39.2 14.1 107 137 A I H X S+ 0 0 6 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.919 110.7 47.8 -59.9 -42.6 -1.8 39.9 10.7 108 138 A G H X S+ 0 0 22 -4,-1.8 4,-2.4 -5,-0.2 -1,-0.2 0.917 112.0 48.9 -62.7 -44.3 -2.4 43.5 11.8 109 139 A L H X S+ 0 0 39 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.898 112.1 49.5 -62.2 -40.1 1.2 43.9 13.0 110 140 A I H X S+ 0 0 0 -4,-2.6 4,-2.9 2,-0.2 5,-0.2 0.946 110.6 48.2 -66.4 -50.3 2.5 42.5 9.7 111 141 A L H X S+ 0 0 1 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.934 115.3 46.3 -52.4 -50.1 0.3 44.8 7.5 112 142 A D H X S+ 0 0 87 -4,-2.4 4,-1.4 1,-0.2 -2,-0.2 0.920 114.8 45.4 -61.2 -47.7 1.4 47.8 9.6 113 143 A A H X S+ 0 0 14 -4,-2.7 4,-0.5 1,-0.2 -1,-0.2 0.887 113.0 51.7 -63.9 -42.6 5.1 46.9 9.6 114 144 A A H ><>S+ 0 0 0 -4,-2.9 5,-2.4 1,-0.2 3,-1.7 0.925 106.2 53.9 -56.9 -47.9 5.0 46.1 5.8 115 145 A D H ><5S+ 0 0 55 -4,-2.3 3,-1.6 1,-0.3 -1,-0.2 0.835 97.2 64.5 -62.7 -32.5 3.4 49.5 5.0 116 146 A K H 3<5S+ 0 0 170 -4,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.738 113.0 35.8 -60.7 -21.8 6.2 51.4 6.8 117 147 A K T <<5S- 0 0 53 -3,-1.7 -1,-0.3 -4,-0.5 -2,-0.2 0.244 117.8-108.6-115.8 11.5 8.5 50.0 4.2 118 148 A K T < 5 + 0 0 147 -3,-1.6 -3,-0.2 1,-0.3 2,-0.2 0.648 69.9 147.9 65.7 19.2 6.1 50.1 1.2 119 149 A I < - 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