==== 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 TRANSFERASE 14-MAY-07 2V0J . COMPND 2 MOLECULE: BIFUNCTIONAL PROTEIN GLMU; . SOURCE 2 ORGANISM_SCIENTIFIC: HAEMOPHILUS INFLUENZAE; . AUTHOR I.MOCHALKIN,S.LIGHTLE,J.F.OHREN,N.Y.CHIRGADZE . 449 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22563.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 342 76.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 121 26.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 24 5.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 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 . 48 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 61 13.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.7 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 1 0 0 2 2 0 1 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 15 4 3 1 2 1 0 1 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 . 1 1 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 K 0 0 153 0, 0.0 93,-0.1 0, 0.0 92,-0.0 0.000 360.0 360.0 360.0 171.4 86.1 61.3 39.2 2 5 A A - 0 0 40 91,-0.5 93,-2.9 43,-0.0 2,-0.3 -0.155 360.0-151.5 -65.4 167.6 86.9 59.3 36.1 3 6 A L E +a 95 0A 16 41,-0.4 43,-3.6 91,-0.2 44,-0.4 -0.998 15.1 179.5-143.2 139.6 85.8 55.7 35.6 4 7 A S E -a 96 0A 0 91,-2.2 93,-2.0 -2,-0.3 2,-0.3 -0.949 18.6-136.9-133.7 161.1 87.1 52.7 33.8 5 8 A A E -ab 97 48A 0 42,-2.5 44,-3.2 -2,-0.3 2,-0.4 -0.845 5.2-156.1-116.9 148.6 85.8 49.2 33.6 6 9 A V E -ab 98 49A 0 91,-2.6 93,-3.0 -2,-0.3 2,-0.5 -0.999 13.5-165.2-115.7 129.6 87.3 45.7 33.7 7 10 A I E -ab 99 50A 0 42,-2.9 44,-2.8 -2,-0.4 2,-0.6 -0.972 13.0-143.6-118.7 122.1 85.3 42.9 32.0 8 11 A L E +ab 100 51A 23 91,-2.4 93,-2.8 -2,-0.5 94,-0.3 -0.746 40.5 145.8 -85.5 116.1 86.1 39.3 32.8 9 12 A A + 0 0 1 42,-2.2 44,-0.4 -2,-0.6 14,-0.3 0.142 29.7 107.3-140.9 20.7 85.6 37.3 29.5 10 13 A A + 0 0 6 42,-0.3 44,-2.0 43,-0.1 42,-0.1 0.488 46.7 124.4 -86.9 -6.5 88.3 34.6 29.4 11 14 A G - 0 0 17 42,-0.1 11,-1.6 1,-0.1 12,-0.4 -0.237 55.0-146.5 -70.9 145.4 86.1 31.5 30.1 12 15 A K - 0 0 124 9,-0.2 -1,-0.1 10,-0.1 4,-0.1 0.765 25.8-144.6 -72.2 -33.0 85.8 28.4 27.9 13 16 A G > + 0 0 12 8,-0.1 3,-1.9 2,-0.1 5,-0.4 0.949 25.1 178.5 63.2 50.2 82.2 27.9 28.7 14 17 A T G > S+ 0 0 90 1,-0.3 3,-1.9 2,-0.2 4,-0.1 0.842 72.7 58.5 -51.0 -41.4 82.5 24.1 28.6 15 18 A R G 3 S+ 0 0 142 1,-0.3 211,-0.5 209,-0.3 -1,-0.3 0.436 91.6 69.2 -81.2 0.8 78.9 23.4 29.6 16 19 A M G < S- 0 0 3 -3,-1.9 -1,-0.3 209,-0.2 -2,-0.2 0.531 95.3-143.6 -80.3 -14.0 77.7 25.4 26.5 17 20 A Y < + 0 0 191 -3,-1.9 2,-0.3 -4,-0.3 -2,-0.1 0.936 53.4 132.7 44.0 61.7 79.1 22.4 24.4 18 21 A S S S- 0 0 41 -5,-0.4 -1,-0.2 2,-0.2 -2,-0.1 -0.927 72.2-130.3-139.4 153.5 80.2 24.9 21.8 19 22 A D S S+ 0 0 165 -2,-0.3 -1,-0.1 -3,-0.1 -2,-0.1 0.620 90.7 86.4 -76.7 -13.6 83.2 25.9 19.6 20 23 A L S S- 0 0 50 1,-0.1 -2,-0.2 -4,-0.1 -4,-0.1 -0.567 88.3-108.8 -82.8 149.2 82.6 29.4 20.8 21 24 A P > - 0 0 4 0, 0.0 3,-1.6 0, 0.0 4,-0.4 -0.389 42.2 -96.5 -71.2 164.5 84.0 30.9 24.0 22 25 A K G > S+ 0 0 30 -11,-1.6 3,-0.8 1,-0.3 10,-0.2 0.778 115.9 47.4 -55.4 -41.6 81.5 31.5 26.8 23 26 A V G 3 S+ 0 0 2 -12,-0.4 10,-2.1 -14,-0.3 11,-0.3 0.488 95.6 71.7 -89.5 -1.7 80.8 35.2 26.4 24 27 A L G < + 0 0 4 -3,-1.6 -1,-0.2 7,-0.2 -2,-0.2 0.583 67.7 110.9 -88.1 -12.3 80.2 35.2 22.6 25 28 A H S < S- 0 0 7 -3,-0.8 7,-2.4 -4,-0.4 2,-0.2 -0.382 73.3-114.8 -60.7 139.0 76.8 33.4 22.9 26 29 A T E -I 31 0B 73 5,-0.3 2,-0.4 6,-0.1 207,-0.1 -0.520 26.9-168.9 -91.5 148.7 74.1 35.9 22.0 27 30 A I E > S-I 30 0B 0 3,-2.9 3,-1.7 -2,-0.2 8,-0.1 -0.995 89.2 -8.6-123.9 126.6 71.2 37.5 23.9 28 31 A A T 3 S- 0 0 7 -2,-0.4 -1,-0.1 1,-0.3 230,-0.0 0.867 133.2 -54.7 50.7 41.2 68.8 39.3 21.7 29 32 A G T 3 S+ 0 0 55 1,-0.2 -1,-0.3 249,-0.1 231,-0.1 0.474 121.4 99.3 80.1 5.2 71.2 38.8 18.7 30 33 A K E < S-I 27 0B 66 -3,-1.7 -3,-2.9 -5,-0.0 -1,-0.2 -0.977 82.1-103.1-129.4 130.0 74.2 40.4 20.5 31 34 A P E >> -I 26 0B 23 0, 0.0 4,-1.5 0, 0.0 3,-0.8 -0.219 32.4-119.0 -49.6 141.7 77.0 38.6 22.3 32 35 A M H 3> S+ 0 0 0 -7,-2.4 4,-1.5 1,-0.2 3,-0.4 0.906 115.3 53.7 -48.0 -45.9 76.7 38.6 26.1 33 36 A V H 3> S+ 0 0 0 -10,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.823 101.5 58.9 -64.1 -32.2 80.0 40.5 26.4 34 37 A K H <> S+ 0 0 45 -3,-0.8 4,-2.7 -11,-0.3 -1,-0.2 0.877 102.0 54.1 -63.8 -40.0 78.8 43.2 23.9 35 38 A H H X S+ 0 0 10 -4,-1.5 4,-2.4 -3,-0.4 -1,-0.2 0.937 111.8 45.4 -55.3 -46.4 75.8 44.0 26.3 36 39 A V H X S+ 0 0 0 -4,-1.5 4,-2.6 2,-0.2 -2,-0.2 0.901 111.7 50.6 -69.1 -42.7 78.3 44.5 29.1 37 40 A I H X S+ 0 0 5 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.930 111.8 48.8 -56.6 -47.3 80.7 46.6 27.0 38 41 A D H X S+ 0 0 43 -4,-2.7 4,-2.7 2,-0.2 -2,-0.2 0.922 111.2 49.2 -61.9 -44.5 77.8 48.8 25.9 39 42 A T H X S+ 0 0 27 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.921 110.6 50.8 -61.1 -42.8 76.7 49.2 29.5 40 43 A A H <>S+ 0 0 0 -4,-2.6 5,-1.8 1,-0.2 4,-0.2 0.902 112.0 47.8 -59.7 -42.5 80.2 50.1 30.6 41 44 A H H ><5S+ 0 0 103 -4,-2.4 3,-1.9 1,-0.2 -2,-0.2 0.918 108.5 52.8 -63.7 -45.0 80.4 52.7 27.8 42 45 A Q H 3<5S+ 0 0 119 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.775 101.8 61.4 -68.6 -22.3 77.0 54.2 28.7 43 46 A L T 3<5S- 0 0 25 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.590 124.5-104.9 -70.2 -14.6 78.3 54.6 32.3 44 47 A G T < 5 + 0 0 54 -3,-1.9 -41,-0.4 -4,-0.2 -3,-0.2 0.705 53.7 178.7 93.7 25.7 81.0 56.9 30.9 45 48 A S < - 0 0 11 -5,-1.8 -41,-0.3 1,-0.2 -1,-0.2 -0.399 19.3-161.1 -63.8 129.2 83.9 54.5 31.1 46 49 A E S S+ 0 0 118 -43,-3.6 2,-0.3 1,-0.2 -42,-0.2 0.918 79.7 18.1 -76.3 -48.8 87.1 56.0 29.8 47 50 A N - 0 0 56 -44,-0.4 -42,-2.5 2,-0.0 2,-0.4 -0.929 65.0-159.1-117.9 150.0 88.8 52.7 29.3 48 51 A I E -b 5 0A 9 -2,-0.3 21,-3.0 -44,-0.2 2,-0.8 -0.945 11.6-156.4-126.8 108.3 87.3 49.2 29.1 49 52 A H E -bc 6 69A 3 -44,-3.2 -42,-2.9 -2,-0.4 2,-0.8 -0.766 6.5-158.6 -89.4 111.5 89.8 46.5 29.9 50 53 A L E -bc 7 70A 0 19,-2.9 21,-2.8 -2,-0.8 2,-0.7 -0.802 1.6-157.0 -96.1 109.5 88.6 43.2 28.3 51 54 A I E +bc 8 71A 0 -44,-2.8 -42,-2.2 -2,-0.8 2,-0.3 -0.769 27.8 165.5 -86.5 114.8 90.2 40.2 29.9 52 55 A Y E + c 0 72A 24 19,-2.2 21,-3.1 -2,-0.7 -42,-0.3 -0.806 18.1 139.9-129.6 167.7 90.1 37.5 27.3 53 56 A G > + 0 0 19 1,-0.6 3,-1.0 -44,-0.4 -42,-0.1 -0.071 53.7 65.7-166.7 -83.9 91.7 34.0 26.9 54 57 A H T 3 S+ 0 0 76 -44,-2.0 -1,-0.6 1,-0.2 5,-0.1 -0.367 113.8 13.8 -63.1 140.1 89.8 31.1 25.5 55 58 A G T 3> S+ 0 0 31 -3,-0.1 4,-2.7 -35,-0.1 3,-0.3 0.834 79.8 164.9 62.6 34.9 88.6 31.4 21.9 56 59 A G H <> S+ 0 0 19 -3,-1.0 4,-2.4 1,-0.2 5,-0.2 0.870 70.1 50.8 -50.4 -47.4 91.0 34.4 21.5 57 60 A D H > S+ 0 0 138 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.901 112.1 46.1 -56.3 -46.6 90.7 34.3 17.7 58 61 A L H > S+ 0 0 58 -3,-0.3 4,-3.0 2,-0.2 5,-0.3 0.883 110.0 54.1 -68.6 -39.2 87.0 34.3 17.8 59 62 A M H X S+ 0 0 0 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.951 110.9 46.7 -54.7 -49.7 86.8 37.1 20.4 60 63 A R H < S+ 0 0 123 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.846 116.6 42.9 -64.6 -37.5 89.0 39.2 18.1 61 64 A T H >< S+ 0 0 90 -4,-1.9 3,-0.6 -5,-0.2 -1,-0.2 0.894 118.1 44.5 -76.6 -40.5 87.0 38.5 15.0 62 65 A H H 3< S+ 0 0 98 -4,-3.0 -2,-0.2 1,-0.2 -3,-0.2 0.732 126.4 30.0 -74.5 -25.2 83.6 38.9 16.6 63 66 A L T >< S+ 0 0 4 -4,-2.0 3,-2.1 -5,-0.3 -1,-0.2 0.047 77.0 131.2-124.2 26.0 84.4 42.0 18.6 64 67 A A T < S+ 0 0 72 -3,-0.6 -1,-0.1 1,-0.3 -2,-0.1 0.752 74.7 46.6 -54.6 -33.7 87.0 43.6 16.3 65 68 A N T 3 S+ 0 0 152 -4,-0.1 -1,-0.3 -3,-0.1 2,-0.2 0.353 83.8 118.8 -94.7 6.5 85.3 47.1 16.3 66 69 A E < - 0 0 39 -3,-2.1 2,-1.7 1,-0.1 -3,-0.1 -0.519 68.3-127.4 -77.3 137.8 84.8 47.3 20.1 67 70 A Q + 0 0 168 -2,-0.2 2,-0.3 2,-0.0 -19,-0.1 -0.599 64.9 124.2 -85.4 77.7 86.6 50.1 21.9 68 71 A V - 0 0 21 -2,-1.7 2,-0.6 -21,-0.1 -19,-0.2 -0.909 67.3-113.3-132.1 157.9 88.3 48.0 24.5 69 72 A N E -c 49 0A 55 -21,-3.0 -19,-2.9 -2,-0.3 2,-0.9 -0.878 36.0-133.9 -89.2 118.8 91.8 47.3 25.8 70 73 A W E -c 50 0A 51 -2,-0.6 2,-0.7 -21,-0.2 -19,-0.2 -0.684 26.6-178.2 -81.7 104.6 92.6 43.7 24.8 71 74 A V E -c 51 0A 13 -21,-2.8 -19,-2.2 -2,-0.9 2,-0.7 -0.880 12.8-154.8-110.9 102.3 94.1 42.0 27.8 72 75 A L E -c 52 0A 89 -2,-0.7 2,-0.7 -21,-0.2 -19,-0.2 -0.691 2.0-158.1 -87.6 110.8 95.1 38.4 27.0 73 76 A Q - 0 0 9 -21,-3.1 3,-0.1 -2,-0.7 9,-0.1 -0.783 3.0-162.3 -88.8 112.4 95.2 36.2 30.1 74 77 A T S S+ 0 0 132 -2,-0.7 2,-0.3 1,-0.2 -1,-0.1 0.758 75.8 18.0 -71.4 -26.5 97.4 33.2 29.4 75 78 A E S S- 0 0 116 3,-0.1 2,-1.1 7,-0.0 -1,-0.2 -0.994 73.3-125.5-145.9 144.5 95.9 31.2 32.4 76 79 A Q + 0 0 101 -2,-0.3 3,-0.1 1,-0.2 -23,-0.0 -0.738 40.7 156.5 -88.3 97.3 92.8 31.4 34.5 77 80 A L - 0 0 58 -2,-1.1 116,-2.6 1,-0.4 -1,-0.2 0.231 65.0 -60.7-106.6 11.5 94.2 31.5 38.0 78 81 A G > - 0 0 10 114,-0.2 4,-2.0 1,-0.1 -1,-0.4 -0.422 56.9 -76.5 126.3 162.8 91.2 33.3 39.6 79 82 A T H > S+ 0 0 41 1,-0.2 4,-2.3 2,-0.2 115,-0.2 0.825 125.9 53.3 -63.6 -33.4 89.2 36.5 39.4 80 83 A A H > S+ 0 0 2 113,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.898 109.2 49.4 -68.9 -39.1 91.8 38.5 41.3 81 84 A H H > S+ 0 0 29 112,-0.9 4,-1.0 -3,-0.2 -2,-0.2 0.883 109.9 52.2 -63.3 -41.1 94.5 37.4 38.9 82 85 A A H >X S+ 0 0 5 -4,-2.0 3,-1.0 111,-0.3 4,-0.6 0.960 111.8 44.2 -61.0 -50.9 92.3 38.3 35.9 83 86 A V H >X S+ 0 0 0 -4,-2.3 3,-1.5 1,-0.3 4,-0.9 0.897 107.3 61.2 -62.6 -37.8 91.6 41.8 37.2 84 87 A Q H 3< S+ 0 0 78 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.763 90.9 68.4 -61.6 -25.0 95.3 42.2 38.1 85 88 A Q H << S+ 0 0 64 -4,-1.0 -1,-0.3 -3,-1.0 -2,-0.2 0.823 108.1 37.5 -61.2 -31.7 96.1 41.7 34.4 86 89 A A H X< S+ 0 0 0 -3,-1.5 3,-2.4 -4,-0.6 4,-0.3 0.587 92.5 94.4 -92.0 -15.2 94.5 45.1 33.7 87 90 A A G >< S+ 0 0 7 -4,-0.9 3,-1.9 1,-0.3 -2,-0.1 0.785 71.8 65.0 -55.5 -36.9 95.8 46.8 36.9 88 91 A P G 3 S+ 0 0 103 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.720 103.6 51.8 -58.4 -17.4 99.0 48.3 35.3 89 92 A F G < S+ 0 0 109 -3,-2.4 2,-0.3 2,-0.1 -2,-0.2 0.415 84.0 110.1 -97.4 -3.7 96.5 50.4 33.2 90 93 A F < - 0 0 5 -3,-1.9 2,-0.3 -4,-0.3 6,-0.1 -0.561 67.6-131.3 -73.0 133.1 94.4 51.7 36.2 91 94 A K > - 0 0 87 -2,-0.3 3,-1.3 1,-0.1 83,-0.6 -0.680 17.8-128.6 -77.4 139.4 94.8 55.4 36.9 92 95 A D T 3 S+ 0 0 81 -2,-0.3 83,-1.8 82,-0.3 84,-0.3 0.869 105.0 41.5 -56.1 -39.7 95.4 55.9 40.7 93 96 A N T 3 S+ 0 0 126 81,-0.2 -91,-0.5 80,-0.1 2,-0.3 0.004 96.7 89.9-108.7 28.3 92.6 58.5 41.0 94 97 A E S < S- 0 0 1 -3,-1.3 80,-2.4 -93,-0.1 2,-0.2 -0.858 76.7-114.5-109.2 156.5 89.9 56.9 38.8 95 98 A N E -aD 3 173A 13 -93,-2.9 -91,-2.2 -2,-0.3 2,-0.4 -0.620 25.8-153.7 -81.1 147.9 87.2 54.5 39.9 96 99 A I E -aD 4 172A 0 76,-2.7 76,-1.7 -2,-0.2 2,-0.4 -0.998 4.3-162.5-123.7 128.8 87.3 51.0 38.5 97 100 A V E -aD 5 171A 0 -93,-2.0 -91,-2.6 -2,-0.4 2,-0.5 -0.935 10.6-146.8-108.7 134.6 84.2 48.8 38.1 98 101 A V E +aD 6 170A 0 72,-2.3 72,-0.6 -2,-0.4 2,-0.3 -0.905 24.3 171.8-105.9 124.6 84.6 45.0 37.7 99 102 A L E -a 7 0A 1 -93,-3.0 -91,-2.4 -2,-0.5 2,-0.5 -0.817 27.9-123.4-130.5 164.4 82.0 43.3 35.6 100 103 A Y E > -a 8 0A 38 -2,-0.3 3,-1.8 3,-0.2 -91,-0.2 -0.950 7.8-144.7-118.8 127.4 81.5 39.8 34.1 101 104 A G T 3 S+ 0 0 0 -93,-2.8 -65,-0.2 -2,-0.5 -66,-0.1 0.608 100.5 58.4 -63.2 -18.0 81.1 39.1 30.4 102 105 A D T 3 S+ 0 0 33 -94,-0.3 121,-1.7 1,-0.2 -1,-0.3 0.184 94.3 68.7 -98.4 15.0 78.7 36.2 31.2 103 106 A A X + 0 0 13 -3,-1.8 3,-0.8 119,-0.2 -3,-0.2 -0.710 57.9 162.6-128.8 79.0 76.2 38.4 33.1 104 107 A P T 3 + 0 0 4 0, 0.0 -65,-0.1 0, 0.0 -1,-0.1 0.543 58.1 71.5 -78.8 -9.7 74.8 40.7 30.4 105 108 A L T 3 + 0 0 8 116,-0.5 115,-0.1 113,-0.2 114,-0.1 0.499 61.7 125.1 -91.1 -4.6 71.6 42.0 32.2 106 109 A I < - 0 0 8 -3,-0.8 2,-0.2 115,-0.1 114,-0.1 -0.322 55.5-135.2 -55.8 132.4 73.4 44.3 34.6 107 110 A T > - 0 0 24 1,-0.1 4,-1.9 -68,-0.0 5,-0.1 -0.613 14.1-129.9 -98.5 153.6 71.9 47.8 34.3 108 111 A K H > S+ 0 0 72 -2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.883 109.8 57.1 -56.7 -42.2 73.5 51.3 34.1 109 112 A E H > S+ 0 0 125 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.903 107.9 44.9 -64.1 -42.8 71.2 52.5 36.8 110 113 A T H > S+ 0 0 10 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.902 114.5 49.8 -64.7 -40.3 72.3 49.9 39.3 111 114 A L H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.825 107.7 53.0 -73.4 -30.9 75.9 50.5 38.5 112 115 A E H X S+ 0 0 91 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.883 110.3 48.8 -64.4 -40.3 75.5 54.3 38.9 113 116 A K H X S+ 0 0 114 -4,-1.7 4,-1.6 -5,-0.2 -2,-0.2 0.903 111.5 50.2 -64.5 -43.7 74.0 53.6 42.4 114 117 A L H X S+ 0 0 0 -4,-2.2 4,-0.6 2,-0.2 3,-0.2 0.929 112.1 45.8 -59.0 -51.0 76.9 51.3 43.1 115 118 A I H >< S+ 0 0 38 -4,-2.4 3,-1.1 1,-0.2 -2,-0.2 0.905 110.7 54.7 -61.0 -42.5 79.5 53.8 42.1 116 119 A E H 3< S+ 0 0 163 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.817 105.7 52.8 -59.8 -35.1 77.7 56.6 44.0 117 120 A A H 3< S+ 0 0 34 -4,-1.6 -1,-0.2 -3,-0.2 -2,-0.2 0.616 79.9 117.2 -77.6 -14.3 77.8 54.5 47.2 118 121 A K << - 0 0 26 -3,-1.1 6,-0.1 -4,-0.6 2,-0.1 -0.389 59.9-139.8 -65.8 119.7 81.6 53.9 47.1 119 122 A P > - 0 0 19 0, 0.0 3,-2.6 0, 0.0 -1,-0.1 -0.450 35.2 -82.0 -77.0 153.1 83.3 55.5 50.1 120 123 A E T 3 S- 0 0 172 1,-0.3 88,-0.4 -2,-0.1 3,-0.1 -0.278 116.5 -0.2 -56.2 134.8 86.7 57.3 49.7 121 124 A N T 3 S+ 0 0 85 1,-0.2 -1,-0.3 86,-0.1 2,-0.1 0.596 123.8 95.5 55.6 18.6 89.5 54.8 49.7 122 125 A G S < S- 0 0 0 -3,-2.6 51,-0.5 85,-0.1 2,-0.4 -0.246 72.9-101.3-119.5-161.1 86.9 52.1 50.1 123 126 A I E -e 209 0A 0 85,-2.4 87,-2.8 49,-0.1 2,-0.5 -0.992 9.1-151.5-133.0 138.2 84.8 49.6 48.1 124 127 A A E -eF 210 171A 0 47,-2.2 47,-2.1 -2,-0.4 2,-0.5 -0.973 23.4-161.6-102.4 121.5 81.1 49.5 47.0 125 128 A L E -eF 211 170A 0 85,-3.0 87,-2.7 -2,-0.5 2,-0.5 -0.910 12.6-136.5-107.9 127.3 80.1 45.9 46.7 126 129 A L E +e 212 0A 0 43,-2.8 41,-1.6 -2,-0.5 43,-0.4 -0.720 31.7 177.8 -81.4 125.1 77.0 44.8 44.7 127 130 A T E -eF 213 166A 0 85,-2.8 87,-2.5 -2,-0.5 2,-0.3 -0.750 14.9-156.7-120.5 169.5 74.9 42.3 46.6 128 131 A V E - F 0 165A 6 37,-1.8 37,-2.8 -2,-0.3 2,-0.5 -0.993 18.1-125.2-146.1 145.6 71.7 40.4 46.0 129 132 A N E - F 0 164A 66 85,-0.4 2,-0.3 -2,-0.3 35,-0.2 -0.845 28.6-168.7 -95.1 126.5 69.1 38.8 48.2 130 133 A L - 0 0 32 33,-2.5 -2,-0.0 -2,-0.5 4,-0.0 -0.894 26.1-144.2-115.0 144.2 68.4 35.1 47.4 131 134 A D S S+ 0 0 155 -2,-0.3 -1,-0.1 1,-0.3 -2,-0.0 0.890 106.7 29.1 -74.3 -39.9 65.5 33.0 48.7 132 135 A N S S+ 0 0 113 1,-0.1 -1,-0.3 2,-0.1 31,-0.1 -0.853 72.3 171.8-115.9 93.0 67.9 30.0 48.7 133 136 A P > + 0 0 4 0, 0.0 3,-2.1 0, 0.0 19,-0.1 0.366 25.8 143.7 -81.3 4.7 71.4 31.5 49.3 134 137 A T T 3 + 0 0 81 1,-0.2 3,-0.1 27,-0.0 -2,-0.1 -0.173 67.9 17.3 -50.1 130.4 72.9 28.0 49.8 135 138 A G T 3 S+ 0 0 50 1,-0.3 -1,-0.2 0, 0.0 2,-0.2 0.141 104.1 103.5 96.0 -17.5 76.5 27.8 48.3 136 139 A Y S < S- 0 0 117 -3,-2.1 2,-0.4 15,-0.1 -1,-0.3 -0.643 80.7 -95.3-102.9 156.5 77.0 31.6 48.1 137 140 A G - 0 0 6 29,-0.3 29,-2.0 -2,-0.2 2,-0.3 -0.537 41.1-130.8 -74.0 123.0 79.1 33.9 50.3 138 141 A R E -GH 150 165A 3 12,-3.7 12,-2.5 -2,-0.4 2,-0.5 -0.560 13.3-127.1 -80.8 134.5 77.0 35.6 53.0 139 142 A I E -G 149 0A 4 25,-2.5 2,-0.6 -2,-0.3 10,-0.2 -0.671 19.8-159.6 -79.8 123.9 77.2 39.3 53.5 140 143 A I E -G 148 0A 23 8,-2.4 7,-2.6 -2,-0.5 8,-0.9 -0.932 7.6-164.2-107.1 113.7 77.9 40.3 57.1 141 144 A R E +G 146 0A 114 -2,-0.6 2,-0.4 5,-0.2 5,-0.2 -0.863 12.1 176.4-101.1 126.9 77.0 43.9 58.0 142 145 A E E > S-G 145 0A 120 3,-2.8 3,-1.2 -2,-0.5 -2,-0.0 -0.974 77.3 -15.1-128.0 118.5 78.3 45.6 61.1 143 146 A N T 3 S- 0 0 164 -2,-0.4 -1,-0.1 1,-0.2 3,-0.1 0.870 129.2 -52.2 56.3 43.6 77.3 49.3 61.5 144 147 A G T 3 S+ 0 0 48 1,-0.2 67,-0.5 66,-0.0 2,-0.3 0.366 119.6 103.0 80.9 -3.9 76.2 49.6 57.9 145 148 A N E < S-G 142 0A 44 -3,-1.2 -3,-2.8 65,-0.1 2,-0.7 -0.838 77.2-113.6-115.9 149.5 79.5 48.3 56.5 146 149 A V E +G 141 0A 0 63,-2.8 -5,-0.2 -2,-0.3 63,-0.2 -0.710 35.2 171.6 -82.3 115.3 80.4 44.9 55.1 147 150 A V E + 0 0 41 -7,-2.6 2,-0.3 -2,-0.7 -1,-0.2 0.600 62.4 0.3-100.2 -16.1 82.9 43.3 57.5 148 151 A A E -G 140 0A 35 -8,-0.9 -8,-2.4 2,-0.0 2,-0.6 -0.966 48.6-139.9-167.5 150.9 83.1 39.8 56.0 149 152 A I E -G 139 0A 25 -2,-0.3 2,-0.6 -10,-0.2 -10,-0.2 -0.974 31.3-159.8-113.9 107.6 81.8 37.6 53.2 150 153 A V E -G 138 0A 23 -12,-2.5 -12,-3.7 -2,-0.6 2,-0.1 -0.823 9.9-137.2 -96.7 120.5 81.3 34.2 54.9 151 154 A E >> - 0 0 70 -2,-0.6 4,-1.7 -14,-0.3 3,-1.6 -0.336 25.4-103.6 -75.2 156.9 81.3 31.3 52.6 152 155 A Q T 34 S+ 0 0 63 1,-0.3 3,-0.4 2,-0.2 -1,-0.1 0.877 119.4 51.4 -40.1 -54.2 78.8 28.4 52.9 153 156 A K T 34 S+ 0 0 139 1,-0.2 -1,-0.3 -18,-0.1 -3,-0.0 0.645 115.5 40.8 -69.4 -17.1 81.3 26.0 54.4 154 157 A D T <4 S+ 0 0 116 -3,-1.6 -1,-0.2 2,-0.1 -2,-0.2 0.647 89.1 110.4 -99.8 -20.9 82.4 28.5 57.1 155 158 A A < - 0 0 15 -4,-1.7 2,-0.1 -3,-0.4 -18,-0.0 -0.272 60.7-135.5 -67.7 137.4 79.0 30.0 58.1 156 159 A N > - 0 0 77 1,-0.0 4,-2.4 -2,-0.0 -1,-0.1 -0.288 40.2 -85.8 -77.4 174.8 77.4 29.2 61.5 157 160 A A H > S+ 0 0 78 1,-0.2 4,-0.6 2,-0.2 -2,-0.1 0.860 128.3 42.2 -54.6 -45.5 73.7 28.3 61.8 158 161 A E H >4 S+ 0 0 148 1,-0.2 3,-0.7 2,-0.2 4,-0.3 0.870 112.2 54.6 -72.6 -36.1 72.4 31.9 61.9 159 162 A Q H >4 S+ 0 0 42 1,-0.2 3,-1.8 2,-0.2 -2,-0.2 0.880 99.8 61.6 -62.2 -39.0 74.8 33.1 59.2 160 163 A L H 3< S+ 0 0 56 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.784 97.2 59.9 -58.0 -28.0 73.4 30.4 56.9 161 164 A N T << S+ 0 0 117 -3,-0.7 -1,-0.3 -4,-0.6 2,-0.2 0.593 78.0 112.1 -77.6 -10.8 70.0 32.1 57.2 162 165 A I < - 0 0 47 -3,-1.8 -22,-0.0 -4,-0.3 -3,-0.0 -0.479 49.7-167.9 -63.7 128.1 71.4 35.3 55.7 163 166 A K + 0 0 85 -2,-0.2 -33,-2.5 -31,-0.1 2,-0.4 0.633 58.1 96.8 -92.6 -20.4 69.8 35.9 52.3 164 167 A E E - F 0 129A 17 -35,-0.2 -25,-2.5 -25,-0.2 2,-0.3 -0.638 57.6-176.5 -80.8 130.1 72.1 38.7 51.2 165 168 A V E -HF 138 128A 2 -37,-2.8 -37,-1.8 -2,-0.4 2,-0.3 -0.860 28.4-102.8-133.6 151.2 74.9 37.3 49.0 166 169 A N E - F 0 127A 23 -29,-2.0 -29,-0.3 -2,-0.3 -39,-0.2 -0.565 22.4-173.0 -74.6 133.7 78.1 38.5 47.2 167 170 A T E - 0 0 34 -41,-1.6 -40,-0.1 -2,-0.3 -1,-0.1 0.587 37.7-124.2 -98.1 -16.5 77.9 39.0 43.5 168 171 A G E S+ 0 0 8 -42,-0.4 2,-0.5 1,-0.3 -41,-0.1 0.320 73.4 123.6 85.6 -9.9 81.6 39.7 42.8 169 172 A V E + 0 0 11 -43,-0.4 -43,-2.8 -72,-0.1 -1,-0.3 -0.752 37.2 153.1 -86.1 128.9 80.7 43.0 41.2 170 173 A M E -DF 98 125A 0 -72,-0.6 -72,-2.3 -2,-0.5 2,-0.4 -0.979 36.2-140.9-157.6 161.8 82.5 45.9 42.9 171 174 A V E +DF 97 124A 0 -47,-2.1 -47,-2.2 -2,-0.3 2,-0.3 -0.996 29.9 145.5-132.7 131.2 83.9 49.4 42.6 172 175 A S E -D 96 0A 0 -76,-1.7 -76,-2.7 -2,-0.4 -49,-0.1 -0.950 49.7 -83.8-151.7 170.4 87.1 50.9 44.1 173 176 A D E > -D 95 0A 4 -51,-0.5 4,-2.3 -2,-0.3 -78,-0.2 -0.407 39.4-114.1 -76.8 156.6 89.8 53.4 43.1 174 177 A G H > S+ 0 0 0 -80,-2.4 4,-2.4 -83,-0.6 -82,-0.3 0.867 114.6 52.2 -58.1 -42.8 92.7 52.3 40.9 175 178 A A H > S+ 0 0 35 -83,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.919 110.3 49.0 -60.0 -44.9 95.4 52.8 43.6 176 179 A S H > S+ 0 0 2 -84,-0.3 4,-2.7 2,-0.2 5,-0.3 0.897 110.1 50.8 -64.6 -43.6 93.4 50.7 46.0 177 180 A F H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 5,-0.3 0.934 110.8 48.8 -56.6 -48.8 93.0 47.9 43.5 178 181 A K H X S+ 0 0 72 -4,-2.4 4,-1.0 1,-0.2 -2,-0.2 0.901 115.1 45.5 -59.1 -42.3 96.7 47.9 42.7 179 182 A K H < S+ 0 0 74 -4,-2.2 4,-0.3 -5,-0.2 -2,-0.2 0.931 119.3 38.3 -64.7 -52.3 97.6 47.7 46.4 180 183 A W H >< S+ 0 0 0 -4,-2.7 3,-1.8 1,-0.2 4,-0.4 0.877 108.6 59.7 -75.4 -39.4 95.1 45.1 47.4 181 184 A L H >< S+ 0 0 5 -4,-2.8 3,-1.1 -5,-0.3 -1,-0.2 0.865 101.1 58.4 -57.3 -34.4 95.4 42.8 44.4 182 185 A A T 3< S+ 0 0 74 -4,-1.0 -1,-0.3 -5,-0.3 -2,-0.2 0.661 105.5 50.7 -67.3 -17.2 99.1 42.4 45.2 183 186 A R T < S+ 0 0 123 -3,-1.8 2,-0.4 -4,-0.3 -1,-0.2 0.380 81.3 113.1-102.1 0.4 98.1 41.0 48.6 184 187 A V < - 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