==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 14-MAY-07 2V0I . COMPND 2 MOLECULE: BIFUNCTIONAL PROTEIN GLMU; . SOURCE 2 ORGANISM_SCIENTIFIC: HAEMOPHILUS INFLUENZAE; . AUTHOR I.MOCHALKIN,S.LIGHTLE,J.F.OHREN,N.Y.CHIRGADZE . 450 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22746.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 344 76.4 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 . 53 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 62 13.8 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 0 0 0 1 3 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 0 143 0, 0.0 93,-0.2 0, 0.0 92,-0.0 0.000 360.0 360.0 360.0 143.2 46.3 -10.6 75.5 2 5 A A - 0 0 33 91,-0.5 93,-2.6 43,-0.0 2,-0.3 -0.160 360.0-144.8 -67.1 172.9 47.8 -10.5 79.0 3 6 A L E +a 95 0A 17 41,-0.4 43,-3.2 91,-0.2 44,-0.3 -0.997 19.5 176.4-145.6 138.1 50.3 -7.9 80.0 4 7 A S E -a 96 0A 0 91,-2.1 93,-2.1 -2,-0.3 2,-0.3 -0.914 20.1-137.1-130.2 166.9 53.4 -7.6 82.2 5 8 A A E -ab 97 48A 0 42,-2.4 44,-3.2 -2,-0.3 2,-0.4 -0.895 7.2-157.8-125.0 148.6 55.8 -4.6 82.7 6 9 A V E -ab 98 49A 0 91,-2.5 93,-3.1 -2,-0.3 2,-0.6 -0.998 12.2-163.7-122.9 127.7 59.5 -4.1 82.9 7 10 A I E -ab 99 50A 0 42,-2.9 44,-2.8 -2,-0.4 2,-0.5 -0.949 11.7-144.8-115.7 115.3 60.7 -1.0 84.7 8 11 A L E +ab 100 51A 21 91,-2.5 93,-2.4 -2,-0.6 94,-0.4 -0.702 40.3 144.8 -80.2 122.7 64.4 0.0 84.2 9 12 A A + 0 0 3 42,-2.0 44,-0.4 -2,-0.5 14,-0.3 0.080 29.0 107.4-149.8 25.1 65.6 1.5 87.5 10 13 A A + 0 0 9 42,-0.3 44,-1.9 43,-0.1 42,-0.1 0.431 48.2 124.9 -93.9 0.5 69.3 0.6 87.9 11 14 A G - 0 0 29 42,-0.1 11,-1.5 1,-0.1 12,-0.4 -0.284 56.2-145.2 -76.1 148.1 70.8 4.0 87.3 12 15 A K - 0 0 129 9,-0.2 6,-0.2 10,-0.1 -1,-0.1 0.784 26.7-143.7 -73.7 -33.9 73.2 5.9 89.6 13 16 A G > - 0 0 13 8,-0.1 3,-2.1 2,-0.1 4,-0.4 0.952 24.5-180.0 65.0 50.7 71.7 9.3 88.6 14 17 A T G > S+ 0 0 88 1,-0.3 3,-1.8 2,-0.2 4,-0.1 0.838 74.3 58.9 -50.7 -41.7 75.1 11.1 88.7 15 18 A R G 3 S+ 0 0 172 1,-0.3 211,-0.5 209,-0.2 -1,-0.3 0.472 92.1 67.7 -78.3 -1.0 73.7 14.5 87.8 16 19 A M G < S- 0 0 4 -3,-2.1 -1,-0.3 209,-0.2 -2,-0.2 0.593 95.8-143.9 -78.2 -16.9 71.4 14.5 90.8 17 20 A Y < + 0 0 169 -3,-1.8 2,-0.3 -4,-0.4 -3,-0.1 0.944 52.7 132.4 45.6 62.1 74.6 14.8 92.9 18 21 A S S S- 0 0 43 -5,-0.4 -1,-0.2 2,-0.2 -2,-0.1 -0.912 71.6-131.2-139.8 155.8 73.0 12.6 95.6 19 22 A D S S+ 0 0 164 -2,-0.3 -1,-0.1 -3,-0.1 -2,-0.0 0.557 90.8 84.9 -83.3 -10.5 73.7 9.5 97.8 20 23 A L S S- 0 0 55 1,-0.1 -2,-0.2 -7,-0.1 -4,-0.1 -0.595 90.2-107.0 -84.1 151.9 70.3 8.2 96.6 21 24 A P > - 0 0 4 0, 0.0 3,-1.4 0, 0.0 4,-0.4 -0.391 41.3 -97.9 -70.5 162.7 70.0 6.2 93.4 22 25 A K G > S+ 0 0 31 -11,-1.5 3,-0.9 1,-0.3 10,-0.2 0.824 115.3 48.4 -53.2 -45.1 68.2 8.0 90.5 23 26 A V G 3 S+ 0 0 4 -12,-0.4 10,-2.0 -14,-0.3 11,-0.3 0.476 95.3 70.3 -87.5 -2.7 64.7 6.7 90.8 24 27 A L G < + 0 0 4 -3,-1.4 -1,-0.2 7,-0.2 -2,-0.2 0.569 68.6 111.3 -90.2 -8.8 64.2 7.2 94.6 25 28 A H S < S- 0 0 6 -3,-0.9 7,-2.4 -4,-0.4 2,-0.2 -0.404 72.3-114.7 -61.3 141.4 64.0 11.0 94.3 26 29 A T E -I 31 0B 69 5,-0.3 2,-0.4 6,-0.1 -1,-0.1 -0.501 28.1-170.0 -93.9 150.1 60.4 12.0 95.1 27 30 A I E > S-I 30 0B 0 3,-2.7 3,-1.7 -2,-0.2 8,-0.1 -0.993 89.5 -5.8-125.0 128.8 57.6 13.6 93.2 28 31 A A T 3 S- 0 0 6 -2,-0.4 -1,-0.1 1,-0.3 230,-0.0 0.852 135.5 -53.4 52.2 36.9 54.6 14.6 95.4 29 32 A G T 3 S+ 0 0 53 1,-0.2 -1,-0.3 231,-0.1 231,-0.1 0.453 121.1 88.7 83.9 2.3 56.3 12.9 98.3 30 33 A K E < S-I 27 0B 70 -3,-1.7 -3,-2.7 -5,-0.1 -1,-0.2 -0.977 85.8 -87.4-131.8 150.2 56.9 9.5 96.8 31 34 A P E >> -I 26 0B 13 0, 0.0 4,-1.2 0, 0.0 3,-1.1 -0.149 34.8-123.1 -49.6 139.3 59.8 8.0 94.8 32 35 A M H >> S+ 0 0 0 -7,-2.4 4,-1.4 1,-0.3 3,-0.6 0.903 113.0 57.1 -48.7 -44.7 59.5 8.4 91.0 33 36 A V H 3> S+ 0 0 0 -10,-2.0 4,-2.6 1,-0.2 -1,-0.3 0.798 98.3 60.2 -63.1 -29.5 59.6 4.7 90.6 34 37 A K H <> S+ 0 0 56 -3,-1.1 4,-2.3 -11,-0.3 -1,-0.2 0.880 101.8 53.2 -65.6 -38.6 56.6 4.2 92.9 35 38 A H H S+ 0 0 0 -4,-2.5 5,-2.0 1,-0.2 4,-0.4 0.888 111.2 48.7 -61.8 -37.7 51.9 -0.5 85.6 41 44 A H H ><5S+ 0 0 106 -4,-2.1 3,-1.0 1,-0.2 -2,-0.2 0.892 110.0 49.7 -68.2 -42.0 49.5 -2.0 88.2 42 45 A Q H 3<5S+ 0 0 121 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.801 103.7 60.7 -68.5 -27.9 46.5 0.1 87.1 43 46 A L T 3<5S- 0 0 22 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.682 123.5-107.4 -69.3 -20.8 47.2 -0.9 83.5 44 47 A G T < 5 + 0 0 48 -3,-1.0 -41,-0.4 -4,-0.4 -3,-0.2 0.688 52.0 176.7 99.3 25.2 46.6 -4.5 84.7 45 48 A S < - 0 0 12 -5,-2.0 -41,-0.3 1,-0.2 -1,-0.2 -0.406 20.9-158.5 -61.8 129.5 50.2 -5.9 84.6 46 49 A E S S+ 0 0 117 -43,-3.2 2,-0.3 1,-0.2 -42,-0.2 0.917 81.5 19.0 -74.2 -48.2 50.3 -9.4 85.8 47 50 A N - 0 0 69 -44,-0.3 -42,-2.4 -3,-0.0 2,-0.4 -0.929 65.9-158.6-118.8 149.8 54.0 -9.2 86.7 48 51 A I E -b 5 0A 11 -2,-0.3 21,-3.2 -44,-0.2 2,-0.7 -0.949 11.2-158.4-127.1 107.4 56.1 -6.1 87.2 49 52 A H E -bc 6 69A 2 -44,-3.2 -42,-2.9 -2,-0.4 2,-0.7 -0.800 5.4-159.2 -91.7 112.2 59.8 -6.7 86.7 50 53 A L E -bc 7 70A 0 19,-2.6 21,-2.8 -2,-0.7 2,-0.7 -0.838 3.3-154.3 -96.0 112.3 61.9 -4.1 88.5 51 54 A I E +bc 8 71A 0 -44,-2.8 -42,-2.0 -2,-0.7 2,-0.3 -0.790 27.1 168.8 -88.0 113.9 65.4 -3.9 87.1 52 55 A Y E + c 0 72A 24 19,-2.3 21,-3.3 -2,-0.7 -42,-0.3 -0.817 18.6 135.9-128.1 163.9 67.6 -2.5 89.9 53 56 A G > + 0 0 16 1,-0.6 3,-1.1 -44,-0.4 -42,-0.1 -0.075 53.4 65.3-164.8 -88.2 71.3 -2.1 90.5 54 57 A H T 3 S+ 0 0 70 -44,-1.9 -1,-0.6 1,-0.3 5,-0.1 -0.304 115.0 12.9 -60.3 140.7 72.9 1.1 91.9 55 58 A G T 3> S+ 0 0 33 -3,-0.1 4,-2.4 -35,-0.1 -1,-0.3 0.854 82.0 164.2 58.3 37.3 71.8 1.9 95.5 56 59 A G H <> + 0 0 16 -3,-1.1 4,-2.2 1,-0.2 5,-0.1 0.854 68.6 50.2 -53.8 -46.1 70.4 -1.6 95.7 57 60 A D H > S+ 0 0 144 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.906 112.6 47.8 -59.5 -44.9 70.1 -1.7 99.5 58 61 A L H > S+ 0 0 62 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.858 109.2 53.9 -65.2 -37.7 68.3 1.7 99.5 59 62 A M H X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.951 109.8 47.8 -59.4 -47.6 65.9 0.5 96.7 60 63 A R H < S+ 0 0 124 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.845 114.7 44.4 -68.3 -32.8 65.0 -2.6 98.8 61 64 A T H >< S+ 0 0 96 -4,-1.8 3,-0.7 2,-0.2 -1,-0.2 0.901 118.0 42.9 -75.2 -41.4 64.4 -0.6 102.0 62 65 A H H 3< S+ 0 0 85 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.718 125.8 33.2 -78.7 -22.4 62.4 2.2 100.4 63 66 A L T >< S+ 0 0 1 -4,-1.9 3,-1.9 -5,-0.2 -1,-0.2 -0.009 78.0 127.7-121.9 26.4 60.3 -0.1 98.1 64 67 A A T < S+ 0 0 74 -3,-0.7 -1,-0.1 1,-0.3 -2,-0.1 0.810 75.5 46.9 -57.5 -34.6 60.1 -3.1 100.5 65 68 A N T 3 S+ 0 0 152 -4,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.337 83.6 117.5 -91.1 5.6 56.3 -3.2 100.1 66 69 A E < - 0 0 39 -3,-1.9 2,-1.7 1,-0.1 -3,-0.1 -0.593 68.2-127.3 -82.3 135.9 56.0 -3.0 96.3 67 70 A Q + 0 0 164 -2,-0.3 2,-0.3 2,-0.0 -1,-0.1 -0.612 65.0 123.1 -82.6 81.9 54.5 -5.9 94.5 68 71 A V - 0 0 24 -2,-1.7 2,-0.7 -21,-0.1 -19,-0.2 -0.924 68.3-110.7-138.5 159.9 57.3 -6.4 92.0 69 72 A N E -c 49 0A 57 -21,-3.2 -19,-2.6 -2,-0.3 2,-0.8 -0.882 37.3-134.6 -91.3 114.4 59.8 -9.0 90.8 70 73 A W E -c 50 0A 55 -2,-0.7 2,-0.6 -21,-0.2 -19,-0.2 -0.657 26.7-177.9 -77.2 110.1 63.2 -7.9 92.0 71 74 A V E -c 51 0A 12 -21,-2.8 -19,-2.3 -2,-0.8 2,-0.5 -0.909 14.0-150.7-116.2 104.7 65.6 -8.3 89.1 72 75 A L E -c 52 0A 86 -2,-0.6 2,-0.8 -21,-0.2 -19,-0.2 -0.621 6.6-164.3 -81.1 120.3 69.2 -7.4 90.0 73 76 A Q - 0 0 7 -21,-3.3 -19,-0.1 -2,-0.5 3,-0.1 -0.890 2.8-170.5-100.8 100.6 71.3 -6.0 87.1 74 77 A T S S+ 0 0 119 -2,-0.8 2,-0.4 1,-0.2 -1,-0.1 0.823 74.2 30.5 -66.4 -30.5 74.9 -6.3 88.4 75 78 A E S S- 0 0 120 -3,-0.1 2,-1.6 3,-0.1 -1,-0.2 -0.996 76.0-134.1-131.7 136.7 76.3 -4.3 85.5 76 79 A Q + 0 0 66 -2,-0.4 3,-0.1 1,-0.2 -23,-0.0 -0.571 41.4 156.3 -90.6 77.7 74.6 -1.5 83.5 77 80 A L - 0 0 62 -2,-1.6 116,-2.4 1,-0.3 -1,-0.2 0.320 62.6 -58.3 -93.0 9.2 75.6 -2.7 80.0 78 81 A G > - 0 0 11 114,-0.2 4,-2.2 1,-0.1 -1,-0.3 -0.478 56.5 -78.2 132.0 161.1 72.7 -1.0 78.1 79 82 A T H > S+ 0 0 50 1,-0.2 4,-1.9 2,-0.2 115,-0.2 0.818 127.3 51.4 -61.0 -33.0 68.9 -0.8 78.0 80 83 A A H > S+ 0 0 3 113,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.896 108.7 51.3 -68.6 -40.2 68.7 -4.1 76.0 81 84 A H H > S+ 0 0 31 112,-0.8 4,-1.0 2,-0.2 -2,-0.2 0.891 108.9 52.4 -62.3 -40.1 70.8 -5.9 78.6 82 85 A A H >X S+ 0 0 4 -4,-2.2 3,-0.9 111,-0.2 4,-0.6 0.954 111.3 44.4 -59.8 -50.8 68.6 -4.5 81.4 83 86 A V H >X S+ 0 0 0 -4,-1.9 3,-1.2 1,-0.3 4,-1.0 0.870 106.6 62.0 -64.9 -34.8 65.4 -5.9 79.7 84 87 A Q H 3< S+ 0 0 79 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.768 91.7 66.1 -64.6 -26.6 67.1 -9.2 79.0 85 88 A Q H << S+ 0 0 63 -4,-1.0 -1,-0.3 -3,-0.9 -2,-0.2 0.838 110.5 36.5 -62.5 -31.7 67.5 -9.7 82.8 86 89 A A H X< S+ 0 0 0 -3,-1.2 3,-2.1 -4,-0.6 4,-0.4 0.617 93.4 93.8 -90.5 -16.3 63.7 -10.0 83.0 87 90 A A G >< S+ 0 0 8 -4,-1.0 3,-1.5 1,-0.3 -2,-0.1 0.786 72.2 65.1 -55.5 -37.5 63.2 -11.8 79.7 88 91 A P G 3 S+ 0 0 101 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.760 103.0 51.5 -56.8 -23.1 63.3 -15.4 81.1 89 92 A F G < S+ 0 0 110 -3,-2.1 -2,-0.2 -4,-0.1 2,-0.2 0.539 84.0 110.4 -88.6 -10.5 60.0 -14.5 82.9 90 93 A F < - 0 0 5 -3,-1.5 2,-0.3 -4,-0.4 6,-0.1 -0.482 67.0-133.9 -66.2 132.1 58.2 -13.2 79.9 91 94 A K > - 0 0 126 -2,-0.2 3,-1.4 1,-0.1 83,-0.6 -0.696 17.3-126.6 -78.8 140.6 55.3 -15.4 78.7 92 95 A D T 3 S+ 0 0 85 -2,-0.3 83,-1.7 1,-0.3 84,-0.3 0.835 106.0 40.7 -58.2 -36.1 55.5 -15.9 74.9 93 96 A N T 3 S+ 0 0 127 81,-0.2 -91,-0.5 80,-0.1 2,-0.3 0.124 96.5 90.8-109.6 20.3 51.9 -14.8 74.4 94 97 A E S < S- 0 0 1 -3,-1.4 80,-2.5 -93,-0.2 2,-0.3 -0.834 76.7-117.1-103.1 152.2 51.7 -11.8 76.8 95 98 A N E -aD 3 173A 13 -93,-2.6 -91,-2.1 -2,-0.3 2,-0.4 -0.640 24.9-152.1 -78.3 147.0 52.5 -8.2 75.8 96 99 A I E -aD 4 172A 0 76,-2.9 76,-1.7 -2,-0.3 2,-0.5 -0.995 3.9-159.1-123.1 124.8 55.5 -6.6 77.7 97 100 A V E -aD 5 171A 0 -93,-2.1 -91,-2.5 -2,-0.4 2,-0.6 -0.912 10.2-144.5-104.5 130.8 55.6 -2.8 78.2 98 101 A V E +aD 6 170A 0 72,-2.7 72,-0.7 -2,-0.5 2,-0.2 -0.875 27.5 169.6 -97.9 122.7 59.0 -1.2 78.9 99 102 A L E -a 7 0A 1 -93,-3.1 -91,-2.5 -2,-0.6 2,-0.4 -0.740 25.5-129.9-127.5 169.3 58.9 1.7 81.3 100 103 A Y E > -a 8 0A 34 3,-0.3 3,-1.9 -93,-0.3 -91,-0.2 -0.993 9.0-142.4-131.3 131.4 61.5 3.8 83.2 101 104 A G T 3 S+ 0 0 0 -93,-2.4 -65,-0.2 -2,-0.4 -66,-0.1 0.604 103.4 56.9 -66.4 -14.8 61.6 4.6 86.9 102 105 A D T 3 S+ 0 0 29 -94,-0.4 121,-2.1 1,-0.2 -1,-0.3 0.264 95.7 66.9 -98.5 9.2 62.9 8.1 86.1 103 106 A A X + 0 0 15 -3,-1.9 3,-0.7 119,-0.2 -3,-0.3 -0.713 62.8 162.3-125.8 77.2 59.9 9.0 83.8 104 107 A P T 3 + 0 0 5 0, 0.0 -1,-0.1 0, 0.0 -65,-0.1 0.543 54.8 67.4 -81.5 -12.7 57.1 9.0 86.4 105 108 A L T 3 + 0 0 12 116,-0.4 115,-0.1 113,-0.2 114,-0.1 0.440 61.1 126.8 -94.8 -2.4 54.3 10.9 84.7 106 109 A I < - 0 0 8 -3,-0.7 2,-0.2 115,-0.1 114,-0.1 -0.354 54.0-137.2 -57.3 128.8 53.3 8.4 82.0 107 110 A T > - 0 0 20 1,-0.1 4,-2.0 -2,-0.1 5,-0.2 -0.596 16.0-122.4 -96.0 154.7 49.6 7.8 82.3 108 111 A K H > S+ 0 0 69 -2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.850 112.7 56.2 -51.6 -40.4 47.5 4.6 82.1 109 112 A E H > S+ 0 0 123 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.915 106.7 46.7 -67.3 -45.3 45.5 6.1 79.2 110 113 A T H > S+ 0 0 24 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.903 113.5 49.4 -61.9 -42.7 48.6 6.8 77.0 111 114 A L H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.840 107.4 54.3 -69.4 -32.2 49.9 3.3 77.6 112 115 A E H X S+ 0 0 81 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.890 109.4 48.8 -66.3 -38.8 46.5 1.7 76.8 113 116 A K H X S+ 0 0 117 -4,-1.9 4,-1.3 2,-0.2 -2,-0.2 0.884 111.5 49.8 -65.1 -39.6 46.6 3.6 73.4 114 117 A L H X S+ 0 0 0 -4,-2.0 4,-0.5 2,-0.2 3,-0.3 0.931 111.7 47.6 -65.1 -44.6 50.2 2.4 72.9 115 118 A I H >< S+ 0 0 36 -4,-2.4 3,-1.1 1,-0.2 -2,-0.2 0.902 110.5 51.6 -65.2 -41.5 49.2 -1.2 73.6 116 119 A E H 3< S+ 0 0 172 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.779 107.1 55.2 -64.3 -29.4 46.1 -1.1 71.4 117 120 A A H 3< S+ 0 0 33 -4,-1.3 -1,-0.2 -3,-0.3 -2,-0.2 0.536 79.8 111.5 -83.7 -9.6 48.3 0.2 68.5 118 121 A K << - 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F 0 165A 7 37,-1.9 37,-2.7 -2,-0.3 2,-0.5 -0.986 19.9-123.9-154.6 142.0 57.5 12.8 70.9 129 132 A N E - F 0 164A 89 85,-0.4 2,-0.4 -2,-0.3 35,-0.2 -0.800 32.0-174.6 -90.2 126.9 58.5 15.9 68.8 130 133 A L - 0 0 23 33,-2.3 -2,-0.0 -2,-0.5 0, 0.0 -0.942 32.1-142.7-122.5 143.3 60.9 18.3 70.6 131 134 A D S S+ 0 0 149 -2,-0.4 -1,-0.1 1,-0.3 -2,-0.0 0.926 107.7 31.6 -64.7 -44.1 62.2 21.7 69.5 132 135 A N + 0 0 114 1,-0.1 -1,-0.3 -3,-0.1 31,-0.1 -0.874 70.0 171.4-115.0 95.6 65.6 20.6 71.0 133 136 A P > + 0 0 11 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 0.223 26.0 142.6 -88.3 14.0 66.0 16.8 70.6 134 137 A T T 3 + 0 0 86 1,-0.2 3,-0.1 18,-0.0 -2,-0.1 -0.329 67.7 20.8 -60.2 133.2 69.7 16.7 71.7 135 138 A G T 3 S+ 0 0 52 1,-0.3 17,-0.3 -2,-0.0 -1,-0.2 0.017 103.4 102.5 100.1 -24.4 70.4 13.6 73.8 136 139 A Y S < S- 0 0 67 -3,-1.7 -1,-0.3 15,-0.1 2,-0.2 -0.612 80.0 -99.0-100.7 150.7 67.5 11.5 72.5 137 140 A G - 0 0 3 29,-0.3 29,-2.4 -2,-0.2 2,-0.3 -0.464 41.9-128.9 -63.1 129.8 67.3 8.7 70.0 138 141 A R E -GH 150 165A 2 12,-3.1 12,-2.1 27,-0.2 2,-0.6 -0.657 12.8-125.9 -86.3 137.6 66.1 10.0 66.6 139 142 A I E -G 149 0A 4 25,-2.3 2,-0.6 -2,-0.3 25,-0.2 -0.742 21.8-154.1 -83.7 120.2 63.2 8.3 64.9 140 143 A I E -G 148 0A 27 8,-2.5 7,-2.5 -2,-0.6 8,-1.2 -0.876 13.9-174.1 -98.7 118.9 64.1 7.3 61.3 141 144 A R E -G 146 0A 96 -2,-0.6 2,-0.5 5,-0.2 5,-0.2 -0.946 11.7-168.4-116.3 132.8 61.2 7.0 58.9 142 145 A E E > S-G 145 0A 121 3,-2.5 3,-1.6 -2,-0.4 -2,-0.0 -0.991 82.2 -12.2-117.5 121.3 61.3 5.8 55.3 143 146 A N T 3 S- 0 0 162 -2,-0.5 -1,-0.1 1,-0.3 3,-0.1 0.886 131.4 -53.9 56.0 41.9 58.1 6.5 53.3 144 147 A G T 3 S+ 0 0 49 1,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.119 116.2 109.6 84.8 -20.6 56.3 7.4 56.5 145 148 A N E < S-G 142 0A 108 -3,-1.6 -3,-2.5 65,-0.1 2,-0.4 -0.712 72.3-115.4 -97.7 142.0 57.1 4.1 58.3 146 149 A V E +G 141 0A 4 63,-0.6 63,-0.3 -2,-0.3 -5,-0.2 -0.561 41.0 160.4 -74.4 126.9 59.5 3.8 61.3 147 150 A V E - 0 0 19 -7,-2.5 2,-0.3 -2,-0.4 56,-0.2 0.521 59.1 -4.0-122.7 -16.3 62.5 1.6 60.4 148 151 A A E -G 140 0A 20 -8,-1.2 -8,-2.5 51,-0.1 2,-0.4 -0.987 49.7-131.4-167.0 164.1 65.1 2.5 63.0 149 152 A I E -G 139 0A 9 47,-0.3 2,-0.5 -2,-0.3 -10,-0.2 -0.999 21.6-162.4-122.2 133.7 66.2 4.5 66.0 150 153 A V E -G 138 0A 27 -12,-2.1 -12,-3.1 -2,-0.4 5,-0.1 -0.971 16.3-131.9-120.0 121.3 69.6 6.2 65.9 151 154 A E >> - 0 0 37 -2,-0.5 3,-1.1 -14,-0.3 4,-0.8 -0.244 24.6-109.0 -68.5 156.3 71.1 7.4 69.2 152 155 A Q G >4 S+ 0 0 55 -17,-0.3 3,-0.7 1,-0.3 -1,-0.1 0.874 118.3 49.4 -50.5 -47.1 72.6 10.9 69.5 153 156 A K G 34 S+ 0 0 144 1,-0.2 -1,-0.3 -18,-0.1 -2,-0.0 0.623 115.8 43.3 -74.3 -15.1 76.2 9.6 69.7 154 157 A D G <4 S+ 0 0 60 -3,-1.1 -1,-0.2 2,-0.1 2,-0.2 0.433 92.9 107.1-103.5 -5.5 75.7 7.4 66.6 155 158 A A << - 0 0 19 -4,-0.8 2,-0.1 -3,-0.7 -3,-0.0 -0.521 61.4-134.3 -86.4 142.1 73.9 9.9 64.5 156 159 A N > - 0 0 89 -2,-0.2 4,-1.8 1,-0.1 3,-0.3 -0.320 41.0 -89.1 -79.7 173.3 75.2 11.8 61.4 157 160 A A T 4 S+ 0 0 79 1,-0.2 4,-0.5 2,-0.2 -2,-0.1 0.820 126.0 48.6 -56.8 -39.2 74.7 15.5 60.9 158 161 A E T >4 S+ 0 0 158 1,-0.2 3,-1.0 2,-0.2 4,-0.4 0.882 108.6 52.7 -68.5 -42.4 71.4 15.1 59.0 159 162 A Q G >4 S+ 0 0 42 -3,-0.3 3,-1.3 1,-0.2 -2,-0.2 0.829 99.5 64.0 -65.8 -32.3 69.9 12.7 61.6 160 163 A L G 3< S+ 0 0 54 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.738 94.4 61.6 -64.1 -23.2 70.6 15.1 64.4 161 164 A N G < S+ 0 0 127 -3,-1.0 -1,-0.3 -4,-0.5 -2,-0.2 0.687 77.7 110.2 -75.9 -18.9 68.2 17.6 62.8 162 165 A I < - 0 0 46 -3,-1.3 -22,-0.0 -4,-0.4 -3,-0.0 -0.381 51.6-166.6 -57.3 129.6 65.3 15.1 63.2 163 166 A K + 0 0 108 -2,-0.1 -33,-2.3 -24,-0.1 2,-0.5 0.633 61.3 90.7 -99.0 -19.1 62.9 16.4 65.8 164 167 A E E - F 0 129A 20 -35,-0.2 -25,-2.3 -25,-0.2 2,-0.3 -0.708 61.9-179.4 -78.8 124.4 60.9 13.2 66.4 165 168 A V E -HF 138 128A 1 -37,-2.7 -37,-1.9 -2,-0.5 2,-0.3 -0.841 30.1-100.9-129.1 164.5 62.6 11.3 69.3 166 169 A N E - F 0 127A 17 -29,-2.4 -29,-0.3 -2,-0.3 -39,-0.2 -0.622 14.7-163.2 -82.7 132.8 62.2 8.1 71.2 167 170 A T E - 0 0 30 -41,-2.0 -40,-0.1 -2,-0.3 -1,-0.1 0.560 43.8-118.9 -84.8 -14.0 60.7 8.2 74.7 168 171 A G E S+ 0 0 7 -42,-0.4 2,-0.4 1,-0.3 -41,-0.1 0.124 76.3 122.8 96.8 -18.1 62.1 4.8 75.4 169 172 A V E + 0 0 9 -43,-0.3 -43,-2.2 51,-0.1 2,-0.3 -0.634 32.2 154.0 -87.1 128.3 58.6 3.3 76.0 170 173 A M E -DF 98 125A 2 -72,-0.7 -72,-2.7 -2,-0.4 2,-0.4 -0.973 28.4-149.2-149.8 161.6 57.7 0.3 73.8 171 174 A V E +DF 97 124A 0 -47,-2.5 -47,-2.0 -2,-0.3 2,-0.3 -0.999 25.9 146.8-136.0 134.0 55.4 -2.7 73.8 172 175 A S E -D 96 0A 0 -76,-1.7 -76,-2.9 -2,-0.4 -49,-0.1 -0.955 49.7 -84.5-152.9 168.7 55.9 -6.1 72.1 173 176 A D E > -D 95 0A 4 -51,-0.5 4,-2.2 -2,-0.3 -78,-0.2 -0.417 40.1-113.4 -76.9 156.3 55.0 -9.7 72.8 174 177 A G H > S+ 0 0 0 -80,-2.5 4,-2.2 -83,-0.6 -82,-0.3 0.869 114.1 52.0 -58.9 -40.8 57.2 -11.8 75.1 175 178 A A H > S+ 0 0 36 -83,-1.7 4,-2.3 -84,-0.2 -1,-0.2 0.914 109.8 48.9 -63.4 -43.5 58.3 -14.2 72.3 176 179 A S H > S+ 0 0 2 -84,-0.3 4,-2.5 2,-0.2 5,-0.3 0.891 109.2 53.7 -65.3 -40.1 59.4 -11.4 70.0 177 180 A F H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 5,-0.3 0.953 109.8 46.5 -56.4 -52.5 61.3 -9.7 72.8 178 181 A K H X S+ 0 0 71 -4,-2.2 4,-1.5 1,-0.2 -2,-0.2 0.924 113.5 50.4 -55.6 -46.0 63.3 -12.9 73.5 179 182 A K H < S+ 0 0 82 -4,-2.3 4,-0.4 1,-0.2 -2,-0.2 0.940 117.4 37.0 -57.0 -53.4 64.0 -13.4 69.8 180 183 A W H >< S+ 0 0 0 -4,-2.5 3,-1.0 1,-0.2 4,-0.3 0.833 109.5 59.8 -76.9 -35.0 65.3 -9.8 69.1 181 184 A L H >< S+ 0 0 5 -4,-2.7 3,-1.4 -5,-0.3 -1,-0.2 0.883 101.0 57.3 -61.3 -36.4 67.2 -9.3 72.4 182 185 A A T 3< S+ 0 0 78 -4,-1.5 -1,-0.3 -5,-0.3 -2,-0.2 0.721 106.4 50.8 -65.3 -21.2 69.4 -12.3 71.6 183 186 A R T < S+ 0 0 97 -3,-1.0 2,-0.4 -4,-0.4 -1,-0.3 0.338 84.3 109.5-100.3 5.4 70.3 -10.6 68.3 184 187 A V < - 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