==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 05-NOV-07 2VFU . COMPND 2 MOLECULE: XYLITOL OXIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES COELICOLOR; . AUTHOR F.FORNERIS,A.MATTEVI . 414 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15546.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 267 64.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 2.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 83 20.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 30 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 50 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 69 16.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.0 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 1 2 1 1 2 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 PARALLEL BRIDGES PER LADDER . 3 4 1 1 3 1 0 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 . 1 1 0 1 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 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 4 A I 0 0 122 0, 0.0 2,-0.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 155.5 7.4 21.5 12.7 2 5 A T - 0 0 102 15,-0.0 2,-0.5 14,-0.0 13,-0.1 -0.919 360.0-161.3-103.9 120.1 7.8 24.5 15.0 3 6 A V + 0 0 14 11,-0.7 9,-3.0 -2,-0.6 2,-0.2 -0.889 15.3 170.1-105.2 130.3 10.2 27.1 13.8 4 7 A T B -A 11 0A 59 -2,-0.5 7,-0.2 7,-0.3 2,-0.1 -0.765 35.5 -99.6-125.1 171.2 11.7 29.7 16.2 5 8 A N - 0 0 6 5,-1.9 38,-0.2 -2,-0.2 37,-0.1 -0.201 50.0 -90.5 -78.0-178.8 14.4 32.3 16.1 6 9 A W S S+ 0 0 31 36,-2.7 275,-0.6 38,-0.3 37,-0.2 0.929 127.7 43.9 -65.5 -46.3 17.8 31.6 17.7 7 10 A A S S- 0 0 6 35,-0.5 -1,-0.2 37,-0.4 276,-0.1 0.793 104.4-132.6 -68.0 -27.2 17.0 33.0 21.2 8 11 A G S S+ 0 0 32 2,-0.2 -2,-0.1 274,-0.1 -1,-0.1 0.424 76.9 113.6 89.7 -1.9 13.6 31.2 21.0 9 12 A N S S+ 0 0 44 274,-0.2 2,-0.5 1,-0.1 36,-0.1 0.651 72.7 60.3 -75.0 -14.3 11.5 34.2 22.2 10 13 A I - 0 0 15 34,-0.1 -5,-1.9 36,-0.1 2,-0.5 -0.971 65.0-170.0-115.9 124.6 9.9 34.3 18.6 11 14 A T B -A 4 0A 84 -2,-0.5 -7,-0.3 -7,-0.2 2,-0.1 -0.971 22.7-134.4-110.0 122.9 7.9 31.3 17.3 12 15 A Y - 0 0 8 -9,-3.0 -9,-0.4 -2,-0.5 38,-0.1 -0.416 9.5-128.7 -78.2 152.1 7.1 31.7 13.6 13 16 A T S S+ 0 0 52 -2,-0.1 -1,-0.1 -11,-0.1 41,-0.1 0.786 76.2 108.0 -67.3 -28.4 3.6 30.9 12.3 14 17 A A - 0 0 11 1,-0.1 -11,-0.7 -11,-0.1 -2,-0.1 -0.227 56.2-158.6 -60.1 135.0 5.0 28.6 9.5 15 18 A K S S+ 0 0 145 1,-0.2 2,-0.3 -13,-0.1 -1,-0.1 0.346 81.2 33.8 -90.9 -0.3 4.4 24.9 10.0 16 19 A E - 0 0 121 -13,-0.0 2,-0.8 2,-0.0 41,-0.5 -0.961 69.4-137.6-156.6 140.0 7.3 24.2 7.6 17 20 A L E -b 57 0B 24 -2,-0.3 2,-0.3 -3,-0.1 41,-0.2 -0.863 29.5-140.3 -97.0 103.7 10.7 25.8 6.7 18 21 A L E +b 58 0B 38 39,-2.2 41,-2.9 -2,-0.8 44,-0.1 -0.501 23.0 179.9 -69.2 127.2 10.9 25.6 2.8 19 22 A R - 0 0 116 -2,-0.3 41,-0.1 39,-0.2 -1,-0.1 -0.637 10.4-161.7-130.7 73.9 14.5 24.7 1.8 20 23 A P - 0 0 14 0, 0.0 42,-0.2 0, 0.0 3,-0.0 -0.202 9.2-150.9 -57.7 144.8 14.8 24.5 -2.0 21 24 A H S S+ 0 0 141 42,-0.1 2,-0.3 40,-0.1 3,-0.1 0.437 74.0 37.9-102.3 0.9 17.8 22.6 -3.2 22 25 A S S > S- 0 0 52 41,-0.1 4,-2.3 1,-0.1 5,-0.1 -0.950 78.0-119.8-144.3 161.3 18.3 24.5 -6.5 23 26 A L H > S+ 0 0 61 -2,-0.3 4,-3.2 2,-0.2 5,-0.2 0.842 117.5 57.4 -68.6 -33.5 18.0 28.0 -7.8 24 27 A D H > S+ 0 0 128 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.925 108.1 45.3 -62.5 -46.9 15.4 26.7 -10.2 25 28 A A H > S+ 0 0 38 2,-0.2 4,-3.0 1,-0.2 -2,-0.2 0.898 113.7 51.5 -56.4 -45.1 13.3 25.4 -7.3 26 29 A L H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.935 110.1 46.6 -62.5 -51.2 13.9 28.7 -5.5 27 30 A R H X S+ 0 0 73 -4,-3.2 4,-2.6 2,-0.2 -1,-0.2 0.876 115.4 46.5 -59.7 -43.1 12.7 30.9 -8.4 28 31 A A H X S+ 0 0 45 -4,-2.0 4,-2.4 -5,-0.2 -2,-0.2 0.937 111.8 50.8 -65.2 -49.7 9.7 28.7 -9.0 29 32 A L H < S+ 0 0 40 -4,-3.0 4,-0.2 2,-0.2 -2,-0.2 0.916 114.0 44.8 -51.3 -47.1 8.8 28.7 -5.2 30 33 A V H >< S+ 0 0 0 -4,-2.6 3,-1.6 1,-0.2 -2,-0.2 0.957 112.9 49.9 -63.0 -51.2 9.1 32.5 -5.0 31 34 A A H 3< S+ 0 0 43 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.843 115.5 45.0 -54.8 -40.1 7.0 33.0 -8.3 32 35 A D T 3< S+ 0 0 141 -4,-2.4 2,-0.4 -5,-0.1 -1,-0.3 0.256 97.7 85.3 -89.8 4.7 4.3 30.7 -7.0 33 36 A S < - 0 0 14 -3,-1.6 3,-0.1 -4,-0.2 22,-0.1 -0.924 63.5-150.5-111.6 138.7 4.0 32.0 -3.4 34 37 A A S S+ 0 0 89 -2,-0.4 2,-0.3 1,-0.3 -1,-0.1 0.866 84.2 14.6 -72.5 -39.8 1.8 35.0 -2.5 35 38 A R S S- 0 0 104 19,-0.3 21,-3.1 369,-0.1 2,-0.4 -0.994 70.3-178.6-141.2 137.4 4.0 36.2 0.4 36 39 A V E +c 56 0B 1 367,-2.1 2,-0.3 -2,-0.3 21,-0.2 -0.980 12.7 179.1-137.0 139.3 7.5 35.3 1.4 37 40 A R E -c 57 0B 11 19,-2.2 21,-2.4 -2,-0.4 2,-0.4 -0.989 26.9-131.4-130.3 143.6 10.1 36.1 4.1 38 41 A V E -c 58 0B 44 -2,-0.3 2,-0.5 19,-0.2 21,-0.2 -0.729 10.5-148.9 -89.0 138.6 13.6 34.5 4.2 39 42 A L E +c 59 0B 15 19,-2.9 21,-0.6 -2,-0.4 72,-0.0 -0.956 19.8 175.1-100.4 126.8 14.9 33.0 7.4 40 43 A G - 0 0 34 -2,-0.5 -1,-0.1 19,-0.1 21,-0.1 0.468 69.3 -41.6 -90.8-117.5 18.7 33.3 7.8 41 44 A S S S- 0 0 19 67,-0.1 -35,-0.0 18,-0.0 -2,-0.0 0.260 76.5-117.8-101.7 12.7 20.2 32.1 11.0 42 45 A G + 0 0 7 1,-0.1 -36,-2.7 -37,-0.1 -35,-0.5 0.644 65.4 142.1 63.0 18.7 17.5 33.6 13.2 43 46 A H + 0 0 36 -38,-0.2 2,-0.3 -37,-0.2 -1,-0.1 0.036 42.6 103.2 -80.5 26.7 19.7 36.1 15.2 44 47 A S - 0 0 15 2,-0.1 -37,-0.4 -34,-0.0 -38,-0.3 -0.746 61.3-153.4 -97.1 160.9 16.9 38.7 15.1 45 48 A F S S+ 0 0 3 326,-2.7 2,-0.2 -2,-0.3 327,-0.2 0.120 70.6 47.0-121.5 13.0 14.8 39.2 18.3 46 49 A N S S- 0 0 20 325,-0.3 3,-0.5 327,-0.1 -2,-0.1 -0.641 102.9 -74.9-138.6-165.7 11.5 40.5 16.9 47 50 A E S > S+ 0 0 110 -2,-0.2 3,-0.9 1,-0.2 361,-0.4 0.095 83.6 117.7 -92.7 23.8 9.0 39.5 14.1 48 51 A I T 3 S+ 0 0 10 1,-0.2 -1,-0.2 322,-0.2 361,-0.2 0.908 83.1 40.2 -58.5 -39.8 11.2 40.8 11.2 49 52 A A T 3 S+ 0 0 10 -3,-0.5 -1,-0.2 -12,-0.1 -2,-0.1 0.561 88.1 115.5 -85.5 -7.3 11.4 37.2 9.7 50 53 A E < - 0 0 14 -3,-0.9 358,-0.3 1,-0.1 357,-0.3 -0.462 48.0-166.0 -65.7 119.4 7.8 36.4 10.4 51 54 A P - 0 0 6 0, 0.0 5,-0.1 0, 0.0 -1,-0.1 0.577 35.7-122.4 -84.4 -5.0 5.8 35.8 7.1 52 55 A G > - 0 0 28 3,-0.1 3,-2.1 2,-0.1 -17,-0.1 0.039 51.6 -39.4 79.3 161.6 2.3 36.0 8.7 53 56 A D T 3 S+ 0 0 149 1,-0.3 3,-0.1 -3,-0.1 -39,-0.1 -0.307 135.7 14.8 -57.1 135.9 -0.3 33.2 8.4 54 57 A G T 3 S+ 0 0 86 1,-0.3 -19,-0.3 -41,-0.1 -1,-0.3 0.305 100.1 123.5 78.1 -11.7 -0.2 31.6 4.9 55 58 A G < - 0 0 12 -3,-2.1 2,-0.4 -21,-0.1 -1,-0.3 -0.460 64.2-118.1 -74.6 151.7 3.1 33.2 4.2 56 59 A V E - c 0 36B 28 -21,-3.1 -19,-2.2 -2,-0.2 2,-0.6 -0.792 16.5-154.9 -94.0 130.1 6.1 31.1 3.2 57 60 A L E -bc 17 37B 0 -41,-0.5 -39,-2.2 -2,-0.4 2,-0.4 -0.954 22.7-173.0-102.3 116.8 9.1 31.0 5.4 58 61 A L E -bc 18 38B 0 -21,-2.4 -19,-2.9 -2,-0.6 2,-0.3 -0.893 12.8-165.1-119.8 144.1 12.1 30.1 3.2 59 62 A S E - c 0 39B 10 -41,-2.9 3,-0.4 -2,-0.4 -19,-0.1 -0.889 21.9-145.2-119.2 151.6 15.7 29.3 4.0 60 63 A L S > S+ 0 0 13 -21,-0.6 3,-1.9 -2,-0.3 21,-0.2 0.279 73.1 108.7 -95.0 9.8 18.8 29.1 1.7 61 64 A A T 3 S+ 0 0 73 1,-0.3 -1,-0.2 -21,-0.1 4,-0.1 0.733 74.2 54.8 -54.5 -29.6 20.2 26.2 3.9 62 65 A G T 3 S+ 0 0 19 -3,-0.4 -1,-0.3 -42,-0.2 -2,-0.1 0.521 94.6 85.7 -86.5 -8.7 19.5 23.7 1.1 63 66 A L S < S- 0 0 27 -3,-1.9 -41,-0.1 1,-0.1 -42,-0.1 -0.649 96.7 -85.4 -89.4 151.2 21.5 25.7 -1.5 64 67 A P - 0 0 100 0, 0.0 2,-1.8 0, 0.0 17,-0.1 -0.252 36.0-125.4 -55.5 137.1 25.3 25.3 -1.9 65 68 A S - 0 0 87 -4,-0.1 2,-0.1 16,-0.1 18,-0.1 -0.488 37.1-165.5 -82.5 70.2 27.3 27.5 0.5 66 69 A V + 0 0 58 -2,-1.8 13,-2.3 12,-0.0 2,-0.4 -0.342 20.9 170.6 -63.4 124.6 29.4 29.3 -2.2 67 70 A V E +D 78 0C 31 11,-0.2 2,-0.7 -2,-0.1 11,-0.2 -0.905 9.5 177.1-134.0 102.7 32.5 31.2 -1.2 68 71 A D E -D 77 0C 96 9,-2.9 9,-2.3 -2,-0.4 2,-0.4 -0.886 12.2-158.7-118.9 99.0 34.4 32.2 -4.3 69 72 A V E -D 76 0C 4 -2,-0.7 2,-0.8 7,-0.2 7,-0.3 -0.658 8.2-161.6 -82.4 127.8 37.5 34.3 -3.7 70 73 A D E >> -D 75 0C 76 5,-3.5 5,-1.8 -2,-0.4 4,-1.1 -0.899 9.9-175.7-102.1 101.7 38.9 36.4 -6.5 71 74 A T T 45S+ 0 0 71 -2,-0.8 -1,-0.2 2,-0.2 5,-0.0 0.821 78.9 51.0 -74.2 -29.9 42.4 37.1 -5.3 72 75 A A T 45S+ 0 0 95 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.919 119.6 35.8 -69.7 -44.8 43.4 39.4 -8.2 73 76 A A T 45S- 0 0 56 2,-0.1 -2,-0.2 99,-0.0 -1,-0.2 0.545 105.1-130.7 -81.9 -9.8 40.3 41.6 -7.8 74 77 A R T <5 + 0 0 129 -4,-1.1 99,-2.7 1,-0.2 2,-0.3 0.938 65.8 122.3 52.3 52.5 40.3 41.2 -3.9 75 78 A T E < -DE 70 172C 19 -5,-1.8 -5,-3.5 97,-0.2 2,-0.4 -0.920 48.9-151.9-135.0 161.3 36.6 40.3 -3.9 76 79 A V E -DE 69 171C 0 95,-1.9 95,-2.7 -2,-0.3 2,-0.5 -0.994 7.3-148.5-139.1 127.5 34.5 37.3 -2.7 77 80 A R E -DE 68 170C 87 -9,-2.3 -9,-2.9 -2,-0.4 2,-0.4 -0.876 27.2-175.2 -93.3 126.6 31.2 36.0 -4.0 78 81 A V E -DE 67 169C 0 91,-2.8 91,-2.0 -2,-0.5 -11,-0.2 -0.981 27.8-116.9-130.4 134.3 29.1 34.5 -1.2 79 82 A G E > - E 0 168C 9 -13,-2.3 3,-1.2 -2,-0.4 89,-0.3 -0.316 33.1-118.1 -57.2 147.7 25.8 32.6 -1.0 80 83 A G T 3 S+ 0 0 2 87,-1.5 30,-2.0 1,-0.2 31,-0.5 0.911 114.3 51.2 -57.5 -41.0 23.1 34.6 1.1 81 84 A G T 3 S+ 0 0 28 86,-0.2 -1,-0.2 -21,-0.2 2,-0.1 0.468 82.3 113.9 -78.9 -2.0 23.0 31.7 3.6 82 85 A V < - 0 0 4 -3,-1.2 27,-3.4 -16,-0.1 28,-0.4 -0.481 62.4-136.0 -63.5 139.3 26.7 31.5 4.1 83 86 A R B >> -H 108 0D 114 25,-0.3 4,-2.3 -2,-0.1 3,-0.6 -0.691 17.1-114.7 -96.1 153.2 27.7 32.5 7.7 84 87 A Y H 3> S+ 0 0 8 23,-1.8 4,-3.0 21,-0.5 5,-0.3 0.794 110.0 65.2 -55.9 -36.1 30.7 34.7 8.6 85 88 A A H 3> S+ 0 0 22 20,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.922 111.1 35.3 -56.6 -46.5 32.7 32.0 10.4 86 89 A E H <> S+ 0 0 102 -3,-0.6 4,-2.4 19,-0.2 5,-0.2 0.898 116.0 55.2 -75.6 -42.1 33.1 30.0 7.1 87 90 A L H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.931 111.9 44.1 -48.1 -50.1 33.4 33.2 5.0 88 91 A A H X S+ 0 0 2 -4,-3.0 4,-3.0 2,-0.2 5,-0.3 0.934 111.4 52.0 -66.0 -49.4 36.3 34.4 7.2 89 92 A R H X S+ 0 0 124 -4,-1.8 4,-1.9 -5,-0.3 -1,-0.2 0.936 114.0 45.6 -51.3 -50.4 38.1 31.0 7.3 90 93 A V H X S+ 0 0 30 -4,-2.4 4,-0.8 2,-0.2 -2,-0.2 0.918 114.7 44.0 -61.6 -49.5 38.0 30.8 3.5 91 94 A V H ><>S+ 0 0 0 -4,-2.7 5,-2.4 1,-0.2 3,-0.6 0.898 112.8 53.8 -70.5 -33.5 39.1 34.4 2.7 92 95 A H H ><5S+ 0 0 65 -4,-3.0 3,-2.1 1,-0.2 -1,-0.2 0.903 103.0 55.8 -63.4 -40.0 41.9 34.2 5.3 93 96 A A H 3<5S+ 0 0 81 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.705 105.7 54.2 -67.6 -16.5 43.3 30.9 3.8 94 97 A R T <<5S- 0 0 123 -4,-0.8 -1,-0.3 -3,-0.6 -2,-0.2 0.253 125.5-102.5 -97.5 12.2 43.5 32.9 0.5 95 98 A G T < 5S+ 0 0 44 -3,-2.1 81,-2.4 1,-0.3 2,-0.2 0.680 87.2 107.3 78.1 19.9 45.6 35.7 2.2 96 99 A L E < -I 175 0E 11 -5,-2.4 2,-0.3 79,-0.3 -1,-0.3 -0.721 44.8-167.0-129.6 176.8 42.7 38.2 2.5 97 100 A A E -I 174 0E 0 77,-2.0 77,-2.3 -2,-0.2 -9,-0.0 -0.992 23.7-113.3-159.2 154.1 40.4 39.7 5.1 98 101 A L - 0 0 2 -2,-0.3 75,-0.1 75,-0.2 3,-0.1 -0.669 28.4-128.8 -85.3 152.9 37.3 41.6 6.0 99 102 A P S S+ 0 0 29 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.678 86.7 7.5 -76.7 -16.3 37.6 45.1 7.6 100 103 A N - 0 0 8 27,-0.1 2,-0.3 19,-0.1 21,-0.0 -0.993 56.6-164.1-158.9 164.5 35.2 44.1 10.4 101 104 A M - 0 0 4 -2,-0.3 19,-0.3 19,-0.1 2,-0.0 -0.936 28.7-109.8-143.9 154.8 33.1 41.3 12.0 102 105 A A - 0 0 13 -2,-0.3 17,-0.1 2,-0.2 18,-0.1 -0.149 47.0 -91.2 -74.5 178.7 30.2 41.1 14.4 103 106 A S S S+ 0 0 33 15,-0.3 168,-1.8 167,-0.2 169,-1.5 0.792 115.3 32.8 -66.3 -28.7 30.7 39.8 18.0 104 107 A L S S- 0 0 17 166,-0.2 -1,-0.2 167,-0.2 -2,-0.2 -0.999 70.3-152.1-138.5 125.5 29.8 36.2 17.0 105 108 A P S S+ 0 0 10 0, 0.0 -20,-1.8 0, 0.0 2,-1.6 0.606 73.8 91.1 -79.5 -14.0 30.7 34.8 13.6 106 109 A H + 0 0 35 -22,-0.2 2,-0.4 -23,-0.1 -23,-0.0 -0.193 64.9 109.0 -80.4 47.3 27.9 32.1 13.3 107 110 A I S S- 0 0 27 -2,-1.6 -23,-1.8 -3,-0.1 -22,-0.1 -0.955 76.3-101.6-127.0 142.0 25.4 34.5 11.5 108 111 A S B > -H 83 0D 4 -2,-0.4 4,-2.1 -25,-0.2 -25,-0.3 -0.304 22.3-139.1 -61.0 140.7 24.2 34.5 7.9 109 112 A V H > S+ 0 0 0 -27,-3.4 4,-2.1 -29,-0.3 5,-0.3 0.965 104.0 46.9 -65.4 -51.8 25.9 37.2 5.8 110 113 A A H > S+ 0 0 18 -30,-2.0 4,-1.7 -28,-0.4 -1,-0.2 0.916 114.6 47.4 -56.4 -43.2 22.7 38.1 4.0 111 114 A G H > S+ 0 0 31 -31,-0.5 4,-0.6 1,-0.2 -1,-0.2 0.864 110.4 53.7 -64.3 -40.0 20.8 38.3 7.3 112 115 A S H ><>S+ 0 0 1 -4,-2.1 5,-1.9 1,-0.2 3,-1.0 0.949 112.1 40.3 -61.0 -52.3 23.5 40.4 8.9 113 116 A V H ><5S+ 0 0 2 -4,-2.1 3,-0.7 1,-0.2 -1,-0.2 0.799 102.9 73.4 -73.5 -23.7 23.7 43.2 6.3 114 117 A A H 3<5S+ 0 0 18 -4,-1.7 46,-2.1 -5,-0.3 -1,-0.2 0.757 107.9 30.5 -57.7 -25.4 19.8 43.2 5.9 115 118 A T T <<5S- 0 0 16 -3,-1.0 255,-1.0 -4,-0.6 256,-0.3 0.423 120.2 -90.9-120.8 -2.9 19.4 44.9 9.3 116 119 A G T < 5 - 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0 0 17 1,-0.1 -2,-0.1 2,-0.1 2,-0.1 -0.330 61.4-108.0 -57.8 127.7 9.8 53.2 19.0 377 380 A P > - 0 0 55 0, 0.0 4,-2.3 0, 0.0 3,-0.5 -0.331 22.1-116.6 -59.5 142.9 6.5 54.1 17.2 378 381 A A H > S+ 0 0 38 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.795 112.6 52.5 -51.1 -40.2 6.5 53.7 13.4 379 382 A G H > S+ 0 0 40 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.890 110.8 46.6 -67.5 -42.5 5.9 57.4 12.8 380 383 A E H > S+ 0 0 86 -3,-0.5 4,-0.7 2,-0.2 -2,-0.2 0.877 110.8 54.7 -61.9 -41.5 8.8 58.4 14.9 381 384 A L H >X S+ 0 0 4 -4,-2.3 3,-1.6 2,-0.2 4,-0.6 0.957 106.4 49.7 -57.1 -51.5 10.9 55.8 13.1 382 385 A R H >< S+ 0 0 81 -4,-2.4 3,-1.6 1,-0.3 6,-0.3 0.925 106.1 57.0 -56.0 -44.4 10.1 57.1 9.7 383 386 A A H 3< S+ 0 0 88 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.683 100.5 60.9 -57.6 -20.0 11.1 60.6 10.9 384 387 A L H << S+ 0 0 37 -3,-1.6 -1,-0.3 -4,-0.7 -2,-0.2 0.646 94.5 67.3 -84.7 -15.2 14.5 59.3 11.8 385 388 A Y X< - 0 0 6 -3,-1.6 3,-1.8 -4,-0.6 4,-0.4 -0.867 61.2-165.0-114.2 102.2 15.5 58.2 8.3 386 389 A P T 3 S+ 0 0 93 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 0.821 92.9 37.7 -49.7 -35.9 16.0 61.0 5.7 387 390 A R T 3> S+ 0 0 96 -60,-0.3 4,-1.8 1,-0.2 3,-0.2 0.135 78.4 109.5-111.0 24.5 15.9 58.5 2.8 388 391 A L H <> S+ 0 0 13 -3,-1.8 4,-2.6 -6,-0.3 5,-0.2 0.912 76.9 58.9 -62.3 -41.7 13.2 56.1 4.0 389 392 A A H > S+ 0 0 77 -4,-0.4 4,-1.8 -3,-0.3 -1,-0.2 0.858 104.9 50.2 -52.8 -40.5 10.8 57.5 1.3 390 393 A D H > S+ 0 0 59 -3,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.852 108.4 51.8 -73.1 -35.1 13.3 56.5 -1.4 391 394 A F H X S+ 0 0 0 -4,-1.8 4,-2.9 2,-0.2 -2,-0.2 0.953 108.0 52.1 -57.6 -51.8 13.5 53.0 0.1 392 395 A G H X S+ 0 0 28 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.861 110.8 48.3 -53.3 -39.0 9.6 52.7 -0.0 393 396 A A H X S+ 0 0 65 -4,-1.8 4,-1.7 2,-0.2 -1,-0.2 0.870 110.2 50.8 -71.7 -39.1 9.7 53.7 -3.7 394 397 A L H X S+ 0 0 12 -4,-2.0 4,-2.5 2,-0.2 5,-0.3 0.927 111.7 47.6 -61.7 -47.7 12.4 51.2 -4.5 395 398 A A H X S+ 0 0 6 -4,-2.9 4,-2.7 1,-0.2 7,-0.2 0.931 111.3 51.7 -58.8 -43.3 10.4 48.4 -2.7 396 399 A G H < S+ 0 0 41 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.858 112.4 47.0 -60.2 -36.1 7.2 49.5 -4.7 397 400 A A H < S+ 0 0 79 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.909 121.2 33.5 -77.2 -42.4 9.2 49.3 -7.9 398 401 A L H < S+ 0 0 26 -4,-2.5 -259,-0.6 1,-0.2 -2,-0.2 0.708 134.9 26.1 -85.0 -23.6 10.8 45.9 -7.4 399 402 A D >< + 0 0 5 -4,-2.7 3,-2.1 -5,-0.3 -1,-0.2 -0.509 66.9 167.9-141.5 65.9 7.9 44.3 -5.4 400 403 A P T 3 S+ 0 0 110 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.798 81.2 46.8 -55.2 -36.0 4.7 46.1 -6.5 401 404 A A T 3 S- 0 0 85 -367,-0.0 -5,-0.1 1,-0.0 4,-0.1 0.442 109.8-121.8 -83.9 -4.8 2.4 43.5 -4.8 402 405 A G X + 0 0 13 -3,-2.1 3,-1.4 -7,-0.2 8,-0.1 0.876 53.4 158.7 65.1 35.7 4.5 43.6 -1.5 403 406 A K T 3 S+ 0 0 26 1,-0.3 -367,-2.1 -368,-0.1 -1,-0.1 0.873 78.7 41.0 -53.7 -40.1 5.2 39.8 -1.7 404 407 A F T 3 S+ 0 0 0 -242,-0.3 2,-0.6 -369,-0.2 -1,-0.3 0.263 94.4 100.4 -97.8 9.3 8.3 40.4 0.6 405 408 A T < + 0 0 18 -3,-1.4 2,-0.2 -6,-0.1 -244,-0.0 -0.867 49.1 177.0 -98.3 119.6 6.5 42.9 2.9 406 409 A N > - 0 0 6 -2,-0.6 4,-3.1 -358,-0.1 5,-0.2 -0.473 51.4 -83.0-104.2-175.6 5.3 41.5 6.2 407 410 A A H > S+ 0 0 74 -357,-0.3 4,-2.3 2,-0.2 5,-0.2 0.895 129.2 53.5 -55.7 -42.7 3.6 43.2 9.2 408 411 A F H > S+ 0 0 36 -361,-0.4 4,-1.8 -358,-0.3 -1,-0.2 0.949 115.1 38.0 -56.8 -55.9 7.0 44.3 10.5 409 412 A V H > S+ 0 0 0 1,-0.2 4,-2.5 -361,-0.2 5,-0.3 0.906 113.6 56.5 -63.8 -43.2 8.1 46.0 7.2 410 413 A R H X S+ 0 0 108 -4,-3.1 4,-3.8 1,-0.2 -1,-0.2 0.900 106.2 50.7 -53.5 -45.3 4.5 47.3 6.5 411 414 A G H < S+ 0 0 31 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.946 109.8 51.7 -60.1 -48.5 4.5 49.1 9.9 412 415 A V H < S+ 0 0 7 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.925 121.7 29.5 -51.4 -56.9 7.9 50.7 9.0 413 416 A L H < 0 0 44 -4,-2.5 -1,-0.2 -22,-0.0 -2,-0.2 0.821 360.0 360.0 -73.2 -35.2 6.9 52.0 5.7 414 417 A A < 0 0 93 -4,-3.8 -3,-0.1 -5,-0.3 -4,-0.1 0.677 360.0 360.0 3.5 360.0 3.1 52.6 6.5