==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 19-MAY-11 3S4C . COMPND 2 MOLECULE: LACTOSE PHOSPHORYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CELLULOMONAS UDA; . AUTHOR A.VAN HOOREBEKE,J.STOUT,W.SOETAERT,J.VAN BEEUMEN,T.DESMET,S. . 822 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27253.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 604 73.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 1.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 187 22.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 5 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 11 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 74 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 86 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 190 23.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 1.7 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 3 2 1 0 2 2 0 2 4 0 1 0 1 0 1 0 1 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 0 0 PARALLEL BRIDGES PER LADDER . 10 10 6 4 4 3 2 2 1 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 . 4 3 1 1 2 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 1 A M 0 0 133 0, 0.0 699,-1.3 0, 0.0 700,-0.7 0.000 360.0 360.0 360.0-178.8 18.7 21.7 48.0 2 2 A R - 0 0 111 698,-0.2 696,-0.1 697,-0.1 3,-0.1 -0.899 360.0-159.8-134.1 161.2 20.3 18.4 47.1 3 3 A Y S S- 0 0 34 -2,-0.3 13,-1.6 694,-0.2 14,-0.5 0.257 78.4 -13.8-126.3 8.2 19.6 14.7 47.7 4 4 A G E -A 15 0A 5 11,-0.3 2,-0.3 12,-0.2 11,-0.3 -0.850 66.7-121.9-175.0-150.3 23.1 13.3 47.2 5 5 A H E -A 14 0A 67 9,-2.0 9,-2.9 -2,-0.2 2,-0.2 -0.940 26.7 -92.8-174.8 153.3 26.5 14.2 45.9 6 6 A F E -A 13 0A 20 -2,-0.3 2,-0.6 7,-0.2 7,-0.2 -0.547 20.3-159.7 -77.0 140.1 29.1 13.2 43.4 7 7 A D E >> +A 12 0A 43 5,-2.7 5,-2.7 -2,-0.2 4,-0.9 -0.900 15.0 177.0-113.3 97.0 31.9 10.9 44.3 8 8 A D T 45S+ 0 0 59 -2,-0.6 -1,-0.1 3,-0.2 5,-0.0 0.830 74.8 57.1 -73.6 -34.1 34.5 11.7 41.6 9 9 A E T 45S+ 0 0 102 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.887 119.7 33.4 -63.7 -36.7 37.3 9.4 42.8 10 10 A A T 45S- 0 0 24 2,-0.1 -1,-0.2 -3,-0.0 -2,-0.2 0.548 108.4-125.7 -93.3 -11.2 34.8 6.5 42.6 11 11 A R T <5 + 0 0 48 -4,-0.9 90,-0.4 1,-0.2 2,-0.3 0.957 66.0 127.1 61.7 54.1 32.9 7.8 39.6 12 12 A E E < -A 7 0A 18 -5,-2.7 -5,-2.7 88,-0.1 2,-0.5 -0.895 61.6-134.6-133.7 157.2 29.6 7.6 41.3 13 13 A Y E -AB 6 99A 0 86,-2.2 86,-2.7 -2,-0.3 2,-0.7 -0.986 29.1-149.5-109.9 118.3 26.6 9.7 42.2 14 14 A V E -AB 5 98A 0 -9,-2.9 -9,-2.0 -2,-0.5 2,-0.6 -0.787 7.3-162.4 -90.7 114.5 25.8 9.1 45.8 15 15 A I E -AB 4 97A 0 82,-3.8 82,-2.7 -2,-0.7 -11,-0.3 -0.870 3.1-170.3 -97.6 116.7 22.1 9.4 46.6 16 16 A T + 0 0 67 -13,-1.6 79,-0.2 -2,-0.6 -12,-0.2 0.269 63.1 37.5 -98.1 12.5 21.7 9.7 50.4 17 17 A T - 0 0 36 -14,-0.5 3,-0.1 80,-0.1 80,-0.1 -0.986 64.7-134.8-157.9 147.1 17.9 9.3 50.8 18 18 A P S S+ 0 0 20 0, 0.0 2,-1.8 0, 0.0 -1,-0.1 0.746 90.6 87.2 -67.1 -22.8 15.0 7.4 49.3 19 19 A H + 0 0 112 -3,-0.1 -3,-0.0 2,-0.0 0, 0.0 -0.438 56.0 152.6 -90.1 69.4 13.1 10.6 49.1 20 20 A T - 0 0 24 -2,-1.8 685,-0.1 -3,-0.1 681,-0.0 -0.498 58.8-111.9 -88.7 160.5 14.0 12.1 45.8 21 21 A P S S- 0 0 19 0, 0.0 684,-0.1 0, 0.0 -1,-0.1 0.695 100.9 -3.8 -64.0 -17.4 11.8 14.5 43.8 22 22 A Y S S- 0 0 82 682,-0.2 682,-0.0 683,-0.1 -2,-0.0 -0.958 97.7 -71.3-167.1 152.9 11.5 11.7 41.2 23 23 A P - 0 0 14 0, 0.0 2,-0.6 0, 0.0 683,-0.2 -0.329 47.8-150.7 -52.6 131.4 12.9 8.2 40.7 24 24 A W - 0 0 0 681,-0.1 15,-1.0 682,-0.0 2,-0.2 -0.939 18.9-165.6-113.0 117.3 16.6 8.5 39.7 25 25 A I E -J 38 0B 0 -2,-0.6 2,-0.3 13,-0.2 13,-0.3 -0.582 18.2-160.5-110.6 161.4 17.9 5.8 37.4 26 26 A N E -J 37 0B 0 11,-2.4 11,-2.5 -2,-0.2 2,-0.4 -0.886 21.9-126.5-125.5 157.7 21.1 4.3 36.1 27 27 A Y E -J 36 0B 1 -2,-0.3 75,-0.6 9,-0.2 2,-0.4 -0.931 18.7-157.5-106.7 134.2 21.7 2.1 33.0 28 28 A L E +J 35 0B 0 7,-2.3 7,-1.9 -2,-0.4 75,-0.1 -0.906 57.1 29.9-110.2 140.0 23.5 -1.2 33.4 29 29 A G - 0 0 15 -2,-0.4 73,-0.1 92,-0.3 6,-0.1 0.193 50.6-154.2 92.7 145.8 25.2 -2.9 30.4 30 30 A S S S+ 0 0 9 91,-0.1 -1,-0.1 4,-0.1 4,-0.1 0.148 78.1 44.9-139.7 22.9 26.8 -1.3 27.4 31 31 A E S S- 0 0 71 2,-0.5 3,-0.1 94,-0.1 95,-0.1 0.567 122.6 -34.7-131.2 -82.1 26.5 -4.0 24.7 32 32 A Q S S+ 0 0 88 1,-0.2 16,-2.6 93,-0.2 2,-0.4 0.499 116.5 65.6-131.1 -13.0 23.4 -6.1 24.0 33 33 A F E - K 0 47B 2 92,-0.2 -2,-0.5 14,-0.2 2,-0.4 -0.963 64.5-175.6-117.9 130.7 21.8 -6.6 27.5 34 34 A F E - K 0 46B 6 12,-2.4 12,-2.1 -2,-0.4 2,-0.4 -0.971 14.2-166.9-136.3 139.7 20.4 -3.6 29.4 35 35 A S E -JK 28 45B 0 -7,-1.9 -7,-2.3 -2,-0.4 2,-0.6 -0.984 12.9-151.7-123.6 130.0 18.9 -2.8 32.8 36 36 A L E -JK 27 44B 0 8,-2.8 8,-0.9 -2,-0.4 2,-0.4 -0.915 26.6-180.0 -91.7 122.2 17.1 0.4 33.9 37 37 A L E -JK 26 43B 0 -11,-2.5 -11,-2.4 -2,-0.6 6,-0.2 -0.975 11.3-159.9-129.7 116.6 17.7 0.5 37.7 38 38 A S E > -J 25 0B 0 4,-2.4 3,-1.9 -2,-0.4 -13,-0.2 -0.337 41.7 -96.1 -84.9 174.9 16.3 3.3 39.9 39 39 A H T 3 S+ 0 0 5 -15,-1.0 -14,-0.1 1,-0.3 -1,-0.1 0.410 128.5 51.8 -73.1 5.7 17.7 4.2 43.3 40 40 A Q T 3 S- 0 0 3 2,-0.1 -1,-0.3 -16,-0.1 44,-0.1 0.077 123.0-103.6-124.5 20.1 14.9 2.0 44.7 41 41 A A S < S+ 0 0 2 -3,-1.9 29,-2.5 1,-0.2 -2,-0.1 0.609 76.9 140.8 69.5 13.5 15.8 -1.0 42.6 42 42 A G B +N 69 0C 0 27,-0.3 -4,-2.4 24,-0.1 2,-0.3 -0.366 28.1 64.4 -81.2 166.0 12.8 -0.3 40.3 43 43 A G E -K 37 0B 2 25,-0.8 2,-0.3 -6,-0.2 -6,-0.2 -0.886 66.3-105.6 123.0-154.8 13.0 -0.8 36.5 44 44 A Y E -K 36 0B 0 -8,-0.9 -8,-2.8 -2,-0.3 2,-0.3 -0.970 14.3-116.1-168.3 174.8 13.4 -3.7 34.2 45 45 A S E +K 35 0B 0 -2,-0.3 10,-1.6 -10,-0.2 11,-1.3 -0.936 23.9 175.2-131.7 150.0 15.7 -5.6 31.8 46 46 A F E -KL 34 54B 3 -12,-2.1 -12,-2.4 -2,-0.3 2,-0.6 -0.984 28.9-123.2-152.0 153.2 15.7 -6.3 28.1 47 47 A Y E S-K 33 0B 18 6,-2.0 2,-2.8 2,-0.4 -14,-0.2 -0.927 79.1 -44.7-106.4 114.4 17.8 -7.9 25.5 48 48 A R S S+ 0 0 68 -16,-2.6 2,-0.4 -2,-0.6 -15,-0.1 -0.076 132.6 49.2 66.0 -39.7 18.7 -5.7 22.5 49 49 A D > - 0 0 4 -2,-2.8 4,-2.0 358,-0.1 -2,-0.4 -0.989 63.6-158.6-136.0 120.4 15.1 -4.4 22.1 50 50 A A T 4 S+ 0 0 4 -2,-0.4 107,-0.2 1,-0.2 4,-0.1 0.744 96.5 44.9 -75.5 -20.5 13.1 -3.0 24.9 51 51 A K T 4 S+ 0 0 34 309,-0.1 106,-2.4 311,-0.1 107,-0.5 0.876 122.0 33.1 -81.5 -40.0 9.8 -3.6 23.1 52 52 A M T 4 S+ 0 0 45 104,-0.2 -2,-0.2 1,-0.2 -4,-0.1 0.771 125.9 29.5 -95.3 -29.1 10.5 -7.1 21.8 53 53 A R < + 0 0 43 -4,-2.0 -6,-2.0 -6,-0.1 2,-0.7 -0.300 69.6 155.7-129.2 50.3 12.7 -8.9 24.4 54 54 A R E -LM 46 155B 4 101,-2.6 101,-1.2 -3,-0.3 -8,-0.3 -0.691 19.5-172.8 -82.6 115.7 11.7 -7.4 27.7 55 55 A L E + 0 0 0 -10,-1.6 98,-3.1 -2,-0.7 2,-0.3 0.941 66.4 41.5 -70.4 -49.0 12.5 -10.0 30.4 56 56 A T E S- M 0 152B 4 -11,-1.3 2,-0.3 96,-0.3 96,-0.3 -0.764 81.1-116.5-113.9 150.1 11.0 -8.2 33.4 57 57 A R + 0 0 25 94,-2.5 2,-0.4 -2,-0.3 94,-0.2 -0.588 28.5 179.7 -84.6 137.3 7.8 -6.2 33.9 58 58 A Y - 0 0 15 -2,-0.3 2,-0.6 -16,-0.1 -14,-0.1 -0.996 17.8-144.5-139.4 133.9 7.7 -2.5 34.7 59 59 A R > - 0 0 90 -2,-0.4 3,-0.6 -16,-0.1 7,-0.5 -0.866 10.3-158.3-100.4 114.2 4.7 -0.2 35.3 60 60 A Y T 3 S+ 0 0 51 -2,-0.6 296,-0.1 1,-0.2 295,-0.0 -0.482 81.4 24.4 -75.6 160.9 5.0 3.4 34.1 61 61 A N T 3 S+ 0 0 160 -2,-0.2 -1,-0.2 1,-0.1 2,-0.1 0.859 89.3 164.8 45.3 42.2 2.6 5.9 35.8 62 62 A N < - 0 0 48 -3,-0.6 -1,-0.1 6,-0.0 6,-0.0 -0.473 43.5 -99.8 -79.9 159.3 2.3 3.6 38.8 63 63 A I S S+ 0 0 158 1,-0.3 2,-0.1 -2,-0.1 3,-0.0 -0.927 120.4 21.5-121.5 104.1 0.9 4.8 42.2 64 64 A P S > S- 0 0 72 0, 0.0 3,-0.9 0, 0.0 -1,-0.3 0.597 114.1-111.2 -80.7 168.5 3.3 5.4 43.7 65 65 A A T 3 S+ 0 0 40 1,-0.2 -5,-0.1 -2,-0.1 -2,-0.1 -0.325 96.5 11.8 -61.9 140.0 5.8 5.8 40.9 66 66 A D T 3 S+ 0 0 3 -7,-0.5 -1,-0.2 1,-0.1 -24,-0.1 0.823 77.4 147.2 65.3 36.8 8.5 3.1 40.6 67 67 A A < + 0 0 18 -3,-0.9 2,-0.3 -8,-0.2 157,-0.2 0.082 53.9 63.0 -95.5 22.9 6.8 0.6 43.0 68 68 A G + 0 0 13 -9,-0.1 -25,-0.8 18,-0.0 2,-0.3 -0.979 64.1 91.6-138.4 155.3 7.9 -2.6 41.3 69 69 A G B S-N 42 0C 11 -2,-0.3 2,-1.0 -27,-0.2 -27,-0.3 -0.981 75.9 -18.5 163.4-152.0 11.4 -4.0 40.7 70 70 A R + 0 0 12 -29,-2.5 2,-0.3 -2,-0.3 80,-0.2 -0.787 69.5 178.9 -97.1 99.8 14.1 -6.3 42.0 71 71 A Y E -O 149 0D 3 78,-1.4 78,-1.6 -2,-1.0 2,-0.4 -0.676 27.8-161.1-108.9 152.0 13.3 -6.7 45.6 72 72 A L E -O 148 0D 6 -2,-0.3 2,-0.6 76,-0.2 76,-0.2 -0.918 16.3-153.6-130.9 107.1 14.8 -8.6 48.5 73 73 A Y E -O 147 0D 1 74,-2.4 74,-2.3 -2,-0.4 2,-0.7 -0.702 6.8-153.9 -82.6 119.3 12.4 -9.1 51.4 74 74 A V E -OP 146 81D 0 7,-2.9 7,-1.5 -2,-0.6 2,-0.7 -0.826 4.2-162.6 -98.3 115.4 14.2 -9.5 54.7 75 75 A N E +OP 145 80D 18 70,-2.7 70,-1.5 -2,-0.7 2,-0.6 -0.874 10.7 178.1 -96.7 113.2 12.3 -11.5 57.4 76 76 A D E > S-OP 144 79D 25 3,-2.5 3,-2.1 -2,-0.7 68,-0.2 -0.897 74.5 -43.7-115.7 97.6 13.8 -10.8 60.8 77 77 A G T 3 S- 0 0 74 66,-0.9 -1,-0.1 -2,-0.6 3,-0.1 0.878 124.2 -37.8 43.7 49.4 11.7 -12.7 63.4 78 78 A G T 3 S+ 0 0 49 1,-0.2 2,-0.6 152,-0.1 -1,-0.3 0.084 114.6 112.4 97.3 -24.2 8.4 -11.7 61.8 79 79 A D E < -P 76 0D 52 -3,-2.1 -3,-2.5 2,-0.0 2,-0.4 -0.763 50.6-162.3 -88.5 118.5 9.4 -8.1 60.8 80 80 A V E +P 75 0D 14 -2,-0.6 2,-0.3 -5,-0.2 -5,-0.2 -0.860 19.6 151.6-107.7 131.4 9.6 -7.7 57.0 81 81 A W E -P 74 0D 0 -7,-1.5 -7,-2.9 -2,-0.4 5,-0.1 -0.961 34.2-128.8-147.4 164.2 11.4 -4.9 55.2 82 82 A T > - 0 0 1 3,-0.4 3,-1.7 -2,-0.3 8,-0.2 -0.970 12.9-140.1-118.5 135.3 13.2 -4.1 52.0 83 83 A P T 3 S+ 0 0 5 0, 0.0 26,-0.1 0, 0.0 -1,-0.1 0.714 105.3 60.5 -61.2 -24.7 16.7 -2.5 51.7 84 84 A S T 3 S- 0 0 5 2,-0.2 2,-2.2 -12,-0.2 -42,-0.1 0.322 106.1-132.6 -83.4 7.7 15.5 -0.4 48.7 85 85 A W <> + 0 0 42 -3,-1.7 4,-3.5 6,-0.0 5,-0.5 -0.464 69.1 101.4 71.7 -72.1 12.9 1.1 51.1 86 86 A L T 4 + 0 0 19 -2,-2.2 -2,-0.2 1,-0.2 -18,-0.0 -0.543 67.3 32.3 -69.4 150.5 10.1 0.6 48.6 87 87 A P T 4 S+ 0 0 15 0, 0.0 138,-0.3 0, 0.0 -1,-0.2 -0.983 133.0 29.1 -83.2 -20.9 7.9 -1.4 48.4 88 88 A V T 4 S- 0 0 36 -3,-0.2 -2,-0.2 136,-0.2 137,-0.1 0.838 82.3-155.6 -73.7 -36.5 7.5 -2.0 52.2 89 89 A K < + 0 0 110 -4,-3.5 -3,-0.2 1,-0.2 2,-0.2 0.818 27.3 166.9 65.3 33.7 8.6 1.5 53.2 90 90 A A - 0 0 16 -5,-0.5 -1,-0.2 -8,-0.2 2,-0.1 -0.486 47.2 -92.5 -71.7 147.5 9.8 0.4 56.7 91 91 A D - 0 0 128 -2,-0.2 2,-0.3 2,-0.0 -1,-0.1 -0.404 46.4-156.7 -60.6 133.8 11.9 2.9 58.6 92 92 A L - 0 0 37 1,-0.1 18,-0.2 -2,-0.1 3,-0.1 -0.865 23.0-146.5-115.2 152.4 15.6 2.3 58.0 93 93 A D S S+ 0 0 111 16,-2.8 2,-0.3 -2,-0.3 17,-0.2 0.736 91.2 14.7 -82.0 -27.5 18.6 3.2 60.2 94 94 A H E + C 0 109A 61 15,-1.2 15,-2.1 -3,-0.0 2,-0.3 -0.983 63.3 176.5-150.3 135.4 20.7 3.8 57.1 95 95 A F E + C 0 108A 19 -2,-0.3 2,-0.3 -79,-0.2 13,-0.2 -0.993 9.2 159.1-137.0 136.5 20.0 4.2 53.4 96 96 A E E - C 0 107A 45 11,-2.1 11,-2.9 -2,-0.3 2,-0.4 -0.939 15.8-168.8-154.4 133.9 22.4 4.9 50.5 97 97 A A E -BC 15 106A 0 -82,-2.7 -82,-3.8 -2,-0.3 2,-0.5 -0.989 6.7-166.3-119.2 129.1 22.3 4.4 46.7 98 98 A R E -BC 14 105A 55 7,-2.4 7,-2.1 -2,-0.4 2,-0.7 -0.964 5.9-157.8-116.0 118.0 25.4 4.8 44.6 99 99 A H E +BC 13 104A 1 -86,-2.7 -86,-2.2 -2,-0.5 5,-0.2 -0.862 25.0 168.4 -95.3 116.5 24.9 5.1 40.8 100 100 A G - 0 0 0 3,-2.8 2,-1.1 -2,-0.7 -88,-0.1 -0.401 47.1 -61.3-114.9-170.3 28.2 4.1 39.0 101 101 A L S S- 0 0 5 -90,-0.4 214,-0.1 1,-0.2 3,-0.1 -0.650 118.3 -22.5 -82.5 99.3 29.3 3.3 35.5 102 102 A G S S+ 0 0 3 -2,-1.1 19,-1.1 -75,-0.6 2,-0.3 0.482 134.2 69.6 79.1 0.5 27.3 0.3 34.4 103 103 A Y E - D 0 120A 6 17,-0.2 -3,-2.8 -75,-0.1 2,-0.3 -0.986 55.2-173.3-143.1 156.4 26.8 -0.6 38.1 104 104 A S E -CD 99 119A 0 15,-1.9 15,-3.3 -2,-0.3 2,-0.3 -0.971 11.3-149.6-137.1 155.6 24.9 0.6 41.2 105 105 A T E -CD 98 118A 17 -7,-2.1 -7,-2.4 -2,-0.3 2,-0.4 -0.956 6.9-165.8-121.3 150.1 24.8 -0.4 44.8 106 106 A I E -CD 97 117A 4 11,-2.2 11,-2.3 -2,-0.3 2,-0.5 -0.975 7.0-174.0-136.4 120.3 21.9 -0.1 47.2 107 107 A T E +CD 96 116A 8 -11,-2.9 -11,-2.1 -2,-0.4 2,-0.4 -0.958 7.6 169.5-122.3 128.9 22.3 -0.4 50.9 108 108 A G E -CD 95 115A 0 7,-2.3 7,-2.8 -2,-0.5 2,-0.4 -1.000 8.7-170.3-136.4 138.3 19.6 -0.4 53.6 109 109 A E E +CD 94 114A 28 -15,-2.1 -16,-2.8 -2,-0.4 -15,-1.2 -0.988 9.7 165.5-133.4 140.5 19.8 -1.3 57.3 110 110 A R - 0 0 47 3,-2.4 3,-0.5 -2,-0.4 -18,-0.1 -0.950 64.9 -6.8-156.5 135.1 17.2 -1.9 60.0 111 111 A N S S- 0 0 89 -2,-0.3 27,-0.1 1,-0.2 3,-0.1 0.862 131.8 -43.3 44.6 50.2 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180 180 A P T 3 S+ 0 0 80 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.671 120.0 23.8 -57.5 -17.5 24.2 -27.5 39.8 181 181 A H T 3 S- 0 0 79 22,-0.1 2,-0.3 24,-0.1 -3,-0.0 0.271 137.3 -53.5-128.1 10.1 25.2 -24.3 41.7 182 182 A G E < S-G 179 0A 7 -3,-1.4 -3,-1.7 22,-0.2 2,-0.3 -0.861 88.3 -35.6 157.0-121.4 22.1 -23.5 43.7 183 183 A S E - H 0 203A 1 20,-1.9 20,-2.6 22,-0.3 2,-0.3 -0.999 48.5-174.2-142.8 142.0 18.5 -23.1 42.5 184 184 A A E -GH 176 202A 0 -8,-2.5 -8,-2.3 -2,-0.3 2,-0.4 -0.972 13.8-153.6-138.5 150.3 17.1 -21.6 39.3 185 185 A I E -GH 175 201A 0 16,-2.1 16,-2.6 -2,-0.3 2,-0.5 -0.947 17.8-145.3-117.2 140.4 13.6 -20.8 37.9 186 186 A Y E -GH 174 200A 0 -12,-3.3 -12,-1.8 -2,-0.4 2,-0.8 -0.937 4.3-156.7-112.8 124.0 13.1 -20.7 34.2 187 187 A H E +GH 173 199A 0 12,-3.0 12,-2.5 -2,-0.5 -14,-0.2 -0.884 25.6 162.6 -95.0 111.5 10.7 -18.3 32.5 188 188 A R > + 0 0 12 -16,-1.9 3,-1.7 -2,-0.8 4,-0.4 -0.140 4.0 162.7-127.0 36.3 9.9 -19.9 29.3 189 189 A T T 3 S+ 0 0 0 1,-0.3 -18,-0.1 -17,-0.2 8,-0.1 -0.389 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A G >< - 0 0 15 -4,-1.6 3,-1.3 -5,-0.5 -3,-0.1 0.200 32.1 -54.7 87.7 147.9 -1.6 -12.6 48.1 220 220 A A T 3 S+ 0 0 61 1,-0.2 3,-0.1 -4,-0.1 -5,-0.0 -0.214 120.9 10.1 -56.2 143.3 -5.0 -11.3 47.1 221 221 A Y T 3 S+ 0 0 227 1,-0.2 2,-0.3 0, 0.0 -1,-0.2 0.583 104.1 126.8 64.4 16.0 -5.8 -7.6 47.7 222 222 A N < - 0 0 61 -3,-1.3 -1,-0.2 -7,-0.1 2,-0.1 -0.757 52.8-144.4-111.9 147.3 -2.2 -6.9 48.4 223 223 A S > - 0 0 64 -2,-0.3 3,-1.1 -3,-0.1 -135,-0.0 -0.414 42.9 -98.5 -89.7 175.7 0.5 -4.5 47.2 224 224 A L G > S+ 0 0 27 1,-0.2 3,-0.9 -157,-0.2 -136,-0.2 0.751 126.8 60.1 -67.2 -21.6 4.1 -5.6 46.8 225 225 A G G 3 S+ 0 0 23 -138,-0.3 -1,-0.2 1,-0.2 -143,-0.0 0.638 108.0 43.3 -77.4 -16.2 4.7 -3.8 50.2 226 226 A E G < S+ 0 0 97 -3,-1.1 -1,-0.2 -7,-0.1 -2,-0.2 0.025 82.6 163.2-110.8 23.6 2.1 -6.2 51.8 227 227 A A <> - 0 0 2 -3,-0.9 4,-0.9 1,-0.1 -9,-0.2 -0.193 29.6-149.2 -60.4 132.5 3.4 -9.3 50.1 228 228 A A H > S+ 0 0 36 -10,-1.2 4,-2.5 -11,-0.2 5,-0.3 0.863 83.9 58.6 -74.1 -43.9 2.1 -12.4 51.9 229 229 A V H >>S+ 0 0 10 -12,-2.6 4,-2.1 1,-0.2 5,-0.7 0.933 106.7 48.6 -58.4 -46.8 4.8 -15.1 51.5 230 230 A P H 45S+ 0 0 0 0, 0.0 -1,-0.2 0, 0.0 -2,-0.2 0.847 113.3 49.8 -61.1 -31.6 7.6 -13.0 53.1 231 231 A L H <5S+ 0 0 95 -4,-0.9 -2,-0.2 -3,-0.2 -3,-0.1 0.853 108.3 49.8 -74.7 -37.5 5.2 -12.3 56.0 232 232 A K H <5S- 0 0 84 -4,-2.5 -1,-0.2 2,-0.1 -3,-0.2 0.835 109.1-132.6 -67.4 -31.5 4.2 -16.0 56.5 233 233 A G T <5S+ 0 0 18 -4,-2.1 2,-0.3 -5,-0.3 -4,-0.1 0.458 73.3 75.2 95.5 2.6 8.0 -16.6 56.5 234 234 A E S - 0 0 24 -2,-0.4 3,-1.9 -115,-0.2 -120,-0.3 -0.316 59.0 -66.5 -66.2 164.5 26.7 -14.2 64.6 257 257 A P T 3 S+ 0 0 62 0, 0.0 -1,-0.2 0, 0.0 -120,-0.2 -0.350 124.7 9.6 -58.2 133.9 27.3 -10.5 65.5 258 258 A G T 3 S+ 0 0 62 -122,-1.8 2,-0.2 1,-0.3 -121,-0.1 0.437 99.6 133.6 77.7 -1.2 29.4 -8.7 62.9 259 259 A E < - 0 0 83 -3,-1.9 -123,-2.6 -124,-0.0 2,-0.3 -0.512 39.6-157.1 -81.4 147.9 29.2 -11.7 60.6 260 260 A S E -F 135 0A 58 -125,-0.2 2,-0.4 -2,-0.2 -125,-0.2 -0.933 7.3-160.3-128.2 151.3 28.4 -11.3 56.9 261 261 A R E -F 134 0A 73 -127,-2.6 -127,-2.9 -2,-0.3 2,-0.5 -0.992 8.4-150.5-130.6 141.2 27.0 -13.5 54.3 262 262 A E E -F 133 0A 67 -2,-0.4 2,-0.4 -129,-0.2 -129,-0.2 -0.933 13.0-178.5-117.2 133.2 27.3 -13.1 50.5 263 263 A L E -F 132 0A 0 -131,-2.5 -131,-2.9 -2,-0.5 2,-0.5 -0.944 14.3-150.4-128.0 144.0 24.8 -14.3 47.9 264 264 A V E -F 131 0A 1 -2,-0.4 -60,-1.3 -133,-0.2 2,-0.3 -0.948 13.1-172.5-120.9 114.7 24.9 -14.1 44.2 265 265 A Y E -FI 130 203A 1 -135,-2.3 -135,-2.4 -2,-0.5 2,-0.4 -0.746 6.1-162.4-100.2 150.1 21.7 -13.8 42.2 266 266 A V E -FI 129 202A 4 -64,-2.7 -64,-2.6 -2,-0.3 2,-0.5 -0.996 15.9-170.7-139.3 132.6 21.6 -14.0 38.5 267 267 A L E -FI 128 201A 8 -139,-2.3 -139,-2.3 -2,-0.4 2,-0.3 -0.933 26.6-175.4-119.7 106.9 19.0 -13.0 35.9 268 268 A G E -FI 127 200A 0 -68,-2.8 -68,-2.3 -2,-0.5 2,-0.5 -0.783 28.9-144.7-113.3 148.0 20.0 -14.3 32.4 269 269 A Y E - I 0 199A 12 -143,-2.5 2,-0.4 -2,-0.3 -70,-0.2 -0.925 29.4-172.7 -98.1 124.8 18.8 -14.2 28.9 270 270 A V E 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280 A D S > S- 0 0 46 5,-0.6 3,-0.7 1,-0.1 5,-0.1 -0.715 80.7-121.8-123.7 163.2 13.9 -34.4 25.6 281 281 A D T 3 S+ 0 0 168 -2,-0.2 -1,-0.1 1,-0.2 -3,-0.0 0.855 112.7 59.2 -67.3 -34.0 12.4 -36.2 22.6 282 282 A A T 3 S- 0 0 62 1,-0.1 -1,-0.2 -3,-0.0 -3,-0.0 0.623 102.5-133.1 -74.3 -15.3 9.0 -35.1 23.8 283 283 A K S < S+ 0 0 125 -3,-0.7 -2,-0.1 2,-0.1 3,-0.1 0.895 73.4 115.0 62.6 43.7 9.9 -31.4 23.6 284 284 A Q + 0 0 104 1,-0.1 2,-0.5 2,-0.0 -1,-0.1 0.511 62.8 64.8-111.6 -12.4 8.4 -30.5 27.0 285 285 A V S S- 0 0 50 -5,-0.1 -6,-2.7 -111,-0.0 -5,-0.6 -0.951 80.1-124.5-125.9 120.6 11.7 -29.6 28.7 286 286 A V B -U 278 0F 0 -2,-0.5 2,-0.4 -8,-0.2 -8,-0.2 -0.313 31.0-112.9 -62.9 138.8 14.0 -26.6 27.8 287 287 A N - 0 0 15 -10,-2.7 3,-0.1 1,-0.1 4,-0.1 -0.625 34.1-170.6 -68.7 124.8 17.6 -27.5 27.0 288 288 A K >> + 0 0 29 -2,-0.4 4,-2.6 1,-0.1 3,-0.6 0.391 49.4 107.4-106.7 3.3 19.4 -25.9 29.9 289 289 A E H 3> S+ 0 0 127 1,-0.3 4,-2.3 2,-0.2 -1,-0.1 0.893 82.9 44.4 -48.8 -56.4 23.1 -26.3 28.9 290 290 A R H 3> S+ 0 0 91 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.771 113.4 52.7 -64.5 -28.5 23.8 -22.6 28.1 291 291 A A H <> S+ 0 0 0 -3,-0.6 4,-2.4 2,-0.2 -1,-0.2 0.920 109.2 47.3 -73.8 -46.7 22.0 -21.5 31.3 292 292 A H H X S+ 0 0 54 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.888 109.1 56.7 -57.8 -40.1 24.0 -23.8 33.5 293 293 A A H >X S+ 0 0 38 -4,-2.3 4,-1.0 -5,-0.3 3,-0.7 0.979 108.9 45.2 -56.2 -54.8 27.1 -22.5 31.8 294 294 A L H >< S+ 0 0 7 -4,-2.0 3,-1.0 1,-0.2 4,-0.4 0.900 111.6 53.0 -51.3 -46.6 26.2 -18.9 32.7 295 295 A L H >< S+ 0 0 12 -4,-2.4 3,-0.6 1,-0.3 -1,-0.2 0.768 104.0 55.2 -68.4 -26.4 25.3 -20.0 36.2 296 296 A S H X< S+ 0 0 47 -4,-2.0 3,-0.8 -3,-0.7 -1,-0.3 0.708 99.7 62.7 -76.0 -19.7 28.7 -21.6 36.7 297 297 A R T << S+ 0 0 103 -4,-1.0 -1,-0.2 -3,-1.0 -2,-0.2 0.601 115.0 31.3 -80.1 -11.3 30.4 -18.3 35.7 298 298 A F T < S+ 0 0 9 -3,-0.6 -1,-0.2 -4,-0.4 -2,-0.2 -0.163 81.2 117.7-135.6 40.1 28.8 -16.6 38.8 299 299 A A S < S+ 0 0 18 -3,-0.8 2,-0.3 -5,-0.1 -35,-0.1 0.691 75.7 39.2 -81.2 -19.1 28.7 -19.5 41.2 300 300 A T S > S- 0 0 54 -4,-0.1 4,-1.5 1,-0.1 5,-0.1 -0.875 78.5-119.1-131.0 162.4 31.0 -17.7 43.7 301 301 A S H > S+ 0 0 14 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.837 112.2 59.7 -64.5 -34.2 31.8 -14.3 45.2 302 302 A E H > S+ 0 0 135 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.929 105.7 46.6 -63.4 -45.5 35.3 -14.4 43.8 303 303 A Q H > S+ 0 0 72 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.871 112.9 50.1 -62.0 -41.2 34.0 -14.8 40.2 304 304 A T H X S+ 0 0 0 -4,-1.5 4,-2.2 1,-0.2 -1,-0.2 0.909 109.1 51.6 -66.7 -41.4 31.5 -12.0 40.7 305 305 A D H X S+ 0 0 70 -4,-2.6 4,-1.6 1,-0.2 -1,-0.2 0.827 109.1 50.9 -66.4 -32.6 34.2 -9.7 42.1 306 306 A A H X S+ 0 0 60 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.848 108.9 50.0 -73.4 -35.3 36.5 -10.3 39.1 307 307 A A H X S+ 0 0 19 -4,-1.7 4,-1.7 2,-0.2 -184,-0.4 0.900 110.6 50.9 -70.4 -38.5 33.7 -9.5 36.6 308 308 A F H X S+ 0 0 45 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.888 110.7 49.0 -60.7 -41.3 33.0 -6.3 38.6 309 309 A A H X S+ 0 0 46 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.849 107.9 53.5 -69.6 -36.5 36.7 -5.4 38.4 310 310 A A H X S+ 0 0 49 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.844 106.9 53.5 -63.9 -35.5 36.8 -6.1 34.7 311 311 A L H X S+ 0 0 6 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.891 107.1 50.1 -69.5 -38.4 33.9 -3.7 34.3 312 312 A K H X S+ 0 0 59 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.959 111.3 49.9 -59.1 -48.0 35.9 -1.0 36.2 313 313 A D H X S+ 0 0 114 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.866 107.5 54.4 -58.5 -41.6 38.8 -1.6 33.8 314 314 A Y H X S+ 0 0 41 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.893 111.4 43.2 -59.1 -45.0 36.6 -1.4 30.8 315 315 A W H X S+ 0 0 4 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.897 110.4 56.6 -73.0 -36.7 35.3 2.1 31.8 316 316 A T H < S+ 0 0 66 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.922 109.9 45.5 -57.6 -45.8 38.8 3.3 32.8 317 317 A D H >< S+ 0 0 106 -4,-2.2 3,-1.4 1,-0.2 -1,-0.2 0.926 112.4 51.4 -62.9 -45.4 40.0 2.4 29.3 318 318 A L H >< S+ 0 0 8 -4,-2.0 3,-0.8 1,-0.3 -2,-0.2 0.867 109.4 49.6 -59.6 -38.3 36.9 4.1 27.7 319 319 A L T 3< S+ 0 0 16 -4,-2.5 -1,-0.3 1,-0.2 3,-0.2 0.381 91.4 82.9 -85.2 6.0 37.4 7.3 29.6 320 320 A S T < S+ 0 0 59 -3,-1.4 -1,-0.2 -4,-0.2 3,-0.2 0.461 73.8 71.5 -90.5 -0.3 41.1 7.5 28.7 321 321 A T S < S+ 0 0 25 -3,-0.8 452,-2.5 1,-0.3 2,-0.4 0.858 108.8 17.1 -87.2 -35.8 40.6 9.2 25.3 322 322 A Y E S+V 772 0G 2 450,-0.2 2,-0.3 -3,-0.2 -1,-0.3 -0.984 71.0 142.2-139.6 126.1 39.6 12.6 26.5 323 323 A S E -V 771 0G 35 448,-1.4 448,-2.5 -2,-0.4 2,-0.3 -0.974 23.9-153.1-150.4 169.8 39.9 14.3 29.8 324 324 A V E -V 770 0G 7 -2,-0.3 2,-0.4 446,-0.2 446,-0.2 -0.970 6.8-152.3-141.9 153.3 40.6 17.7 31.3 325 325 A S E +V 769 0G 79 444,-2.2 444,-2.2 -2,-0.3 2,-0.3 -0.981 36.4 136.1-127.3 119.8 42.1 19.3 34.4 326 326 A S E -V 768 0G 26 -2,-0.4 442,-0.2 442,-0.2 439,-0.1 -0.842 66.1 -91.7-145.0-176.4 41.0 22.7 35.5 327 327 A N S S+ 0 0 94 440,-0.7 2,-0.8 -2,-0.3 441,-0.1 0.671 103.9 81.9 -70.9 -21.7 39.9 24.9 38.4 328 328 A D > - 0 0 22 1,-0.1 4,-1.8 2,-0.1 -2,-0.2 -0.795 56.1-176.5 -96.2 113.1 36.3 24.0 37.7 329 329 A E H > S+ 0 0 102 -2,-0.8 4,-1.8 2,-0.2 -1,-0.1 0.642 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49.1 -63.5 -44.1 29.0 7.9 30.1 342 342 A Q H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.845 105.0 59.7 -63.6 -33.8 25.6 9.3 29.1 343 343 A C H X S+ 0 0 0 -4,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.825 102.6 52.1 -64.8 -32.1 26.8 9.3 25.5 344 344 A M H X S+ 0 0 2 -4,-1.2 4,-1.9 -3,-0.5 -1,-0.2 0.902 108.9 50.5 -69.2 -42.7 27.4 5.6 25.7 345 345 A V H X S+ 0 0 5 -4,-1.6 4,-2.9 1,-0.2 5,-0.4 0.915 110.6 48.2 -59.1 -46.1 23.8 5.1 26.9 346 346 A T H X S+ 0 0 0 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.847 108.7 54.2 -67.8 -34.0 22.3 7.2 24.1 347 347 A F H < S+ 0 0 4 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.939 117.1 37.5 -60.2 -47.5 24.3 5.3 21.5 348 348 A N H < S+ 0 0 12 -4,-1.9 -2,-0.2 1,-0.1 -3,-0.1 0.932 131.9 23.2 -70.1 -50.9 23.0 2.0 22.8 349 349 A M H >< S- 0 0 2 -4,-2.9 3,-1.9 1,-0.2 4,-0.4 0.609 80.6-171.5 -99.0 -16.2 19.3 2.8 23.7 350 350 A S T 3< - 0 0 1 -4,-1.7 -1,-0.2 -5,-0.4 14,-0.1 -0.383 66.3 -38.3 58.5-126.4 18.7 5.9 21.5 351 351 A R T 3 S+ 0 0 7 12,-0.8 -1,-0.2 -2,-0.1 8,-0.2 0.067 116.2 94.8-115.6 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