==== 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 2V0L . 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) . 22599.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 346 76.9 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 . 51 11.3 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 . 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 0 152 0, 0.0 93,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 171.8 85.9 61.5 39.2 2 5 A A - 0 0 43 91,-0.3 93,-2.7 1,-0.0 2,-0.3 -0.077 360.0-151.3 -65.0 167.6 86.8 59.4 36.1 3 6 A L E +a 95 0A 16 41,-0.4 43,-3.3 91,-0.2 44,-0.4 -0.999 15.5 178.6-143.6 141.5 85.7 55.8 35.7 4 7 A S E -a 96 0A 0 91,-2.2 93,-2.1 -2,-0.3 2,-0.3 -0.941 17.6-139.2-134.6 163.0 87.0 52.7 33.8 5 8 A A E -ab 97 48A 0 42,-2.4 44,-3.1 -2,-0.3 2,-0.4 -0.879 5.3-155.2-121.8 151.2 85.7 49.2 33.7 6 9 A V E -ab 98 49A 0 91,-2.5 93,-2.9 -2,-0.3 2,-0.5 -0.998 13.3-163.6-117.9 130.8 87.2 45.7 33.7 7 10 A I E -ab 99 50A 0 42,-3.0 44,-2.5 -2,-0.4 2,-0.6 -0.965 12.1-143.6-118.3 120.0 85.2 42.9 32.1 8 11 A L E +ab 100 51A 20 91,-2.3 93,-2.9 -2,-0.5 94,-0.4 -0.730 41.0 144.3 -84.1 119.4 86.1 39.3 32.8 9 12 A A + 0 0 3 42,-2.3 44,-0.5 -2,-0.6 14,-0.3 0.046 28.8 108.1-147.3 25.5 85.6 37.3 29.6 10 13 A A + 0 0 6 42,-0.3 44,-1.9 43,-0.1 42,-0.1 0.504 46.9 124.2 -90.6 -5.4 88.3 34.6 29.5 11 14 A G - 0 0 16 42,-0.1 11,-1.7 1,-0.1 12,-0.4 -0.257 55.5-146.0 -72.5 144.1 86.1 31.6 30.2 12 15 A K - 0 0 123 9,-0.2 -1,-0.1 10,-0.1 4,-0.1 0.769 25.4-143.6 -73.6 -29.1 85.8 28.5 28.0 13 16 A G > + 0 0 11 8,-0.2 3,-1.7 2,-0.1 5,-0.4 0.961 25.8 178.0 61.8 54.1 82.1 27.9 28.8 14 17 A T G > S+ 0 0 93 1,-0.3 3,-1.8 2,-0.2 4,-0.1 0.849 72.3 59.5 -57.8 -38.0 82.5 24.1 28.7 15 18 A R G 3 S+ 0 0 178 209,-0.3 211,-0.5 1,-0.3 -1,-0.3 0.464 91.8 68.1 -79.0 -1.6 78.8 23.4 29.6 16 19 A M G < S- 0 0 5 -3,-1.7 -1,-0.3 209,-0.2 -2,-0.2 0.584 95.2-144.3 -80.2 -15.0 77.6 25.3 26.5 17 20 A Y < + 0 0 174 -3,-1.8 2,-0.3 -4,-0.3 -2,-0.1 0.941 52.7 133.4 44.4 59.5 79.2 22.4 24.5 18 21 A S S S- 0 0 41 -5,-0.4 -1,-0.2 2,-0.3 -2,-0.1 -0.898 71.4-128.8-136.1 157.4 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,-0.0 0.608 91.2 83.6 -79.3 -14.1 83.2 25.8 19.7 20 23 A L S S- 0 0 49 1,-0.1 -2,-0.3 -7,-0.1 -4,-0.1 -0.587 89.0-106.5 -86.1 152.6 82.7 29.4 20.8 21 24 A P > - 0 0 4 0, 0.0 3,-1.4 0, 0.0 4,-0.4 -0.346 42.1 -96.7 -70.9 161.6 84.0 30.9 24.1 22 25 A K G > S+ 0 0 27 -11,-1.7 3,-1.0 1,-0.3 10,-0.2 0.835 116.2 46.9 -48.7 -51.4 81.5 31.5 26.9 23 26 A V G 3 S+ 0 0 3 -12,-0.4 10,-2.1 -14,-0.3 11,-0.3 0.508 96.0 72.2 -81.5 -4.5 80.8 35.2 26.5 24 27 A L G < + 0 0 4 -3,-1.4 -1,-0.2 7,-0.2 -2,-0.2 0.651 68.4 108.8 -84.4 -16.0 80.2 35.2 22.7 25 28 A H S < S- 0 0 7 -3,-1.0 7,-2.2 -4,-0.4 8,-0.2 -0.379 73.2-113.6 -62.0 140.1 76.8 33.4 22.9 26 29 A T E -I 31 0B 72 5,-0.3 2,-0.4 6,-0.1 -1,-0.1 -0.435 26.5-169.5 -88.5 149.3 74.1 35.8 22.0 27 30 A I E > S-I 30 0B 0 3,-2.6 3,-1.7 -2,-0.1 203,-0.0 -0.991 89.3 -8.5-124.2 126.6 71.2 37.4 23.9 28 31 A A T 3 S- 0 0 5 -2,-0.4 -1,-0.1 1,-0.3 230,-0.0 0.894 133.9 -53.2 50.5 44.9 68.7 39.2 21.7 29 32 A G T 3 S+ 0 0 53 1,-0.1 -1,-0.3 249,-0.1 231,-0.1 0.445 120.8 97.5 76.6 2.1 71.1 38.8 18.7 30 33 A K E < S-I 27 0B 77 -3,-1.7 -3,-2.6 -5,-0.1 5,-0.1 -0.978 82.4-100.3-127.8 136.3 74.2 40.3 20.5 31 34 A P E >> -I 26 0B 24 0, 0.0 4,-1.3 0, 0.0 3,-0.7 -0.178 33.5-120.9 -49.7 139.8 77.1 38.5 22.2 32 35 A M H >> S+ 0 0 0 -7,-2.2 4,-1.4 -9,-0.3 3,-0.5 0.901 114.3 53.7 -50.7 -45.4 76.6 38.6 26.0 33 36 A V H 3> S+ 0 0 0 -10,-2.1 4,-2.6 1,-0.2 -1,-0.3 0.826 101.1 60.1 -62.7 -31.7 79.9 40.4 26.4 34 37 A K H <> S+ 0 0 43 -3,-0.7 4,-2.5 -11,-0.3 -1,-0.2 0.875 101.2 54.2 -64.1 -38.0 78.7 43.1 23.9 35 38 A H H S+ 0 0 0 -4,-2.3 5,-1.9 2,-0.2 4,-0.4 0.881 110.7 50.9 -63.9 -37.5 80.1 50.1 30.6 41 44 A H H ><5S+ 0 0 119 -4,-2.3 3,-1.9 1,-0.2 -2,-0.2 0.949 109.2 47.0 -67.6 -49.1 80.3 52.7 27.8 42 45 A Q H 3<5S+ 0 0 104 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.695 103.1 65.9 -70.4 -15.0 77.0 54.5 28.6 43 46 A L T 3<5S- 0 0 23 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.688 124.4-105.1 -70.8 -21.4 78.1 54.5 32.2 44 47 A G T < 5 + 0 0 53 -3,-1.9 -41,-0.4 -4,-0.4 -3,-0.2 0.616 55.7 174.3 103.6 19.7 80.8 56.9 31.1 45 48 A S < - 0 0 11 -5,-1.9 -41,-0.3 1,-0.2 -1,-0.2 -0.380 20.7-163.9 -63.9 127.9 83.8 54.5 31.2 46 49 A E S S+ 0 0 120 -43,-3.3 2,-0.3 1,-0.2 -42,-0.2 0.903 79.1 20.0 -77.2 -45.3 87.0 56.0 29.8 47 50 A N - 0 0 57 -44,-0.4 -42,-2.4 2,-0.0 2,-0.4 -0.933 64.7-159.8-120.7 150.1 88.7 52.7 29.3 48 51 A I E -b 5 0A 10 -2,-0.3 21,-3.0 -44,-0.2 2,-0.7 -0.942 10.5-157.4-129.1 108.9 87.2 49.2 29.1 49 52 A H E -bc 6 69A 2 -44,-3.1 -42,-3.0 -2,-0.4 2,-0.8 -0.785 6.8-159.1 -90.8 112.2 89.7 46.5 29.9 50 53 A L E -bc 7 70A 0 19,-2.7 21,-2.4 -2,-0.7 2,-0.8 -0.814 2.4-156.4 -98.2 107.0 88.6 43.2 28.3 51 54 A I E +bc 8 71A 0 -44,-2.5 -42,-2.3 -2,-0.8 2,-0.3 -0.741 28.6 165.0 -81.9 111.4 90.2 40.2 30.0 52 55 A Y E + c 0 72A 23 19,-1.9 21,-2.9 -2,-0.8 -42,-0.3 -0.809 17.4 140.1-126.6 165.9 90.0 37.4 27.4 53 56 A G > + 0 0 19 1,-0.6 3,-1.1 -44,-0.5 -42,-0.1 -0.032 53.3 65.0-161.2 -83.3 91.6 34.0 26.9 54 57 A H T 3 S+ 0 0 81 -44,-1.9 -1,-0.6 1,-0.3 5,-0.1 -0.336 114.4 14.2 -62.6 141.8 89.8 31.0 25.5 55 58 A G T 3> S+ 0 0 30 -3,-0.1 4,-2.6 -35,-0.1 3,-0.3 0.817 80.9 162.1 59.9 33.7 88.5 31.4 22.0 56 59 A G H <> + 0 0 18 -3,-1.1 4,-2.3 1,-0.2 5,-0.2 0.874 69.2 50.7 -50.8 -47.4 90.9 34.4 21.6 57 60 A D H > S+ 0 0 139 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.904 112.7 46.5 -58.0 -44.8 90.8 34.3 17.8 58 61 A L H > S+ 0 0 61 -3,-0.3 4,-2.7 2,-0.2 5,-0.2 0.860 109.3 54.5 -69.6 -35.6 87.0 34.2 17.8 59 62 A M H X S+ 0 0 0 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.924 110.5 47.5 -61.2 -42.7 86.8 37.0 20.4 60 63 A R H < S+ 0 0 115 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.895 115.4 42.7 -67.9 -42.2 89.0 39.2 18.1 61 64 A T H >< S+ 0 0 93 -4,-2.1 3,-0.8 1,-0.2 -2,-0.2 0.928 118.6 44.8 -70.7 -43.1 87.0 38.5 14.9 62 65 A H H 3< S+ 0 0 100 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.770 125.9 30.1 -73.3 -27.0 83.6 38.8 16.6 63 66 A L T >< S+ 0 0 3 -4,-1.9 3,-2.2 -5,-0.2 -1,-0.2 0.017 77.9 131.8-121.1 27.2 84.4 42.0 18.6 64 67 A A T < S+ 0 0 71 -3,-0.8 -1,-0.1 1,-0.3 -2,-0.1 0.784 74.1 46.1 -54.6 -35.8 86.9 43.6 16.2 65 68 A N T 3 S+ 0 0 150 -4,-0.2 -1,-0.3 -3,-0.2 2,-0.2 0.328 83.7 119.3 -93.0 9.3 85.3 47.1 16.3 66 69 A E < - 0 0 38 -3,-2.2 2,-1.8 1,-0.1 -3,-0.1 -0.554 68.0-127.5 -78.3 138.4 84.8 47.3 20.1 67 70 A Q + 0 0 171 -2,-0.2 2,-0.3 2,-0.0 -19,-0.1 -0.594 65.0 124.1 -85.0 76.6 86.6 50.1 21.9 68 71 A V - 0 0 21 -2,-1.8 2,-0.6 -21,-0.1 -19,-0.2 -0.926 67.0-112.6-134.4 158.3 88.3 48.0 24.5 69 72 A N E -c 49 0A 58 -21,-3.0 -19,-2.7 -2,-0.3 2,-1.0 -0.859 35.2-134.6 -90.6 118.8 91.8 47.2 25.8 70 73 A W E -c 50 0A 49 -2,-0.6 2,-0.8 -21,-0.2 -19,-0.1 -0.654 26.7-178.9 -83.7 101.3 92.6 43.6 24.8 71 74 A V E -c 51 0A 13 -21,-2.4 -19,-1.9 -2,-1.0 2,-0.6 -0.843 13.5-153.8-108.9 100.4 94.1 42.0 27.9 72 75 A L E -c 52 0A 87 -2,-0.8 2,-0.8 -21,-0.2 -19,-0.2 -0.640 3.3-161.3 -82.6 113.6 95.1 38.4 27.2 73 76 A Q - 0 0 7 -21,-2.9 3,-0.1 -2,-0.6 -19,-0.1 -0.842 0.7-165.3 -94.3 107.0 95.1 36.2 30.3 74 77 A T S S+ 0 0 123 -2,-0.8 2,-0.3 1,-0.2 -1,-0.1 0.776 75.3 23.9 -67.6 -28.8 97.1 33.1 29.4 75 78 A E S S- 0 0 113 -3,-0.1 2,-1.4 3,-0.1 -1,-0.2 -0.996 74.2-130.0-140.7 138.5 95.9 31.2 32.5 76 79 A Q + 0 0 102 -2,-0.3 3,-0.1 1,-0.2 -23,-0.0 -0.650 40.6 156.8 -85.4 88.0 92.7 31.5 34.6 77 80 A L - 0 0 62 -2,-1.4 116,-2.5 1,-0.4 -1,-0.2 0.220 65.3 -59.2 -98.9 13.6 94.2 31.6 38.1 78 81 A G > - 0 0 8 114,-0.2 4,-2.3 1,-0.1 -1,-0.4 -0.406 55.8 -78.5 126.4 160.4 91.2 33.3 39.6 79 82 A T H > S+ 0 0 38 1,-0.2 4,-2.3 2,-0.2 115,-0.2 0.814 126.2 53.5 -62.7 -32.3 89.2 36.5 39.4 80 83 A A H > S+ 0 0 2 113,-2.8 4,-2.2 2,-0.2 -1,-0.2 0.901 109.3 48.6 -68.5 -41.9 91.8 38.6 41.3 81 84 A H H > S+ 0 0 32 112,-0.8 4,-1.2 2,-0.2 -2,-0.2 0.909 110.2 53.2 -59.2 -44.4 94.5 37.4 38.9 82 85 A A H >X S+ 0 0 4 -4,-2.3 3,-1.0 111,-0.3 4,-0.6 0.961 111.6 43.0 -58.2 -53.8 92.2 38.4 36.0 83 86 A V H >X S+ 0 0 0 -4,-2.3 3,-1.3 1,-0.3 4,-0.8 0.873 107.8 61.5 -62.0 -36.0 91.7 41.9 37.3 84 87 A Q H 3< S+ 0 0 74 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.756 91.3 67.5 -64.3 -24.3 95.4 42.2 38.1 85 88 A Q H << S+ 0 0 64 -4,-1.2 -1,-0.3 -3,-1.0 -2,-0.2 0.835 108.9 37.3 -61.8 -32.4 96.2 41.7 34.4 86 89 A A H X< S+ 0 0 0 -3,-1.3 3,-2.1 -4,-0.6 4,-0.3 0.591 92.4 93.5 -92.9 -13.2 94.6 45.1 33.7 87 90 A A G >< S+ 0 0 7 -4,-0.8 3,-1.9 1,-0.3 -1,-0.1 0.793 72.4 65.6 -57.3 -36.4 95.8 46.8 36.9 88 91 A P G 3 S+ 0 0 98 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.764 103.5 51.2 -55.1 -23.0 98.9 48.4 35.4 89 92 A F G < S+ 0 0 106 -3,-2.1 2,-0.3 2,-0.1 -2,-0.2 0.435 84.4 110.2 -96.1 -3.0 96.5 50.5 33.2 90 93 A F < - 0 0 6 -3,-1.9 2,-0.3 -4,-0.3 6,-0.1 -0.560 68.6-129.5 -72.4 133.5 94.4 51.8 36.1 91 94 A K > - 0 0 105 -2,-0.3 3,-1.6 1,-0.1 83,-0.6 -0.685 18.8-127.2 -76.7 136.8 94.7 55.5 36.9 92 95 A D T 3 S+ 0 0 81 -2,-0.3 83,-1.9 1,-0.3 84,-0.3 0.874 105.5 37.9 -51.5 -44.3 95.4 55.9 40.6 93 96 A N T 3 S+ 0 0 125 81,-0.2 2,-0.3 80,-0.1 -91,-0.3 0.052 96.3 95.7-106.7 24.9 92.5 58.4 41.0 94 97 A E S < S- 0 0 2 -3,-1.6 80,-2.4 -93,-0.1 -91,-0.2 -0.847 75.7-115.9-104.3 150.2 89.9 56.9 38.7 95 98 A N E -aD 3 173A 12 -93,-2.7 -91,-2.2 -2,-0.3 2,-0.4 -0.596 27.0-153.7 -77.0 147.4 87.1 54.6 39.9 96 99 A I E -aD 4 172A 0 76,-2.7 76,-1.8 -2,-0.2 2,-0.4 -0.995 5.2-162.6-126.5 126.9 87.2 51.0 38.5 97 100 A V E -aD 5 171A 0 -93,-2.1 -91,-2.5 -2,-0.4 2,-0.6 -0.927 10.2-147.1-109.4 132.4 84.1 48.8 38.2 98 101 A V E +aD 6 170A 0 72,-2.4 72,-0.6 -2,-0.4 2,-0.3 -0.887 24.7 171.7-103.0 123.1 84.5 45.0 37.8 99 102 A L E -a 7 0A 2 -93,-2.9 -91,-2.3 -2,-0.6 2,-0.4 -0.799 28.0-122.0-127.6 164.9 81.9 43.3 35.6 100 103 A Y E > -a 8 0A 38 -2,-0.3 3,-1.8 3,-0.3 -91,-0.2 -0.937 7.5-144.2-118.3 132.3 81.5 39.8 34.2 101 104 A G T 3 S+ 0 0 0 -93,-2.9 -65,-0.2 -2,-0.4 -66,-0.1 0.677 101.8 54.6 -66.9 -20.4 81.1 39.1 30.5 102 105 A D T 3 S+ 0 0 30 -94,-0.4 121,-1.2 1,-0.2 -1,-0.3 0.150 94.9 71.9 -99.6 16.0 78.6 36.3 31.2 103 106 A A X + 0 0 13 -3,-1.8 3,-0.8 119,-0.2 -3,-0.3 -0.680 57.2 160.3-126.4 77.7 76.3 38.5 33.2 104 107 A P T 3 + 0 0 6 0, 0.0 -1,-0.1 0, 0.0 -65,-0.1 0.527 56.9 70.5 -82.5 -10.7 74.8 40.7 30.5 105 108 A L T 3 + 0 0 9 116,-0.4 115,-0.2 113,-0.3 114,-0.1 0.503 62.9 124.8 -88.1 -5.8 71.6 42.0 32.2 106 109 A I < - 0 0 8 -3,-0.8 2,-0.2 113,-0.1 114,-0.1 -0.316 55.5-136.9 -56.0 130.5 73.4 44.3 34.7 107 110 A T > - 0 0 18 1,-0.1 4,-1.9 -68,-0.0 5,-0.1 -0.607 15.4-127.8 -98.9 155.2 72.0 47.8 34.3 108 111 A K H > S+ 0 0 63 -2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.872 110.2 56.3 -56.8 -42.1 73.5 51.3 34.1 109 112 A E H > S+ 0 0 114 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.887 107.9 45.8 -66.6 -40.6 71.1 52.5 36.8 110 113 A T H > S+ 0 0 3 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.908 113.7 50.0 -66.4 -40.2 72.2 49.8 39.3 111 114 A L H X S+ 0 0 0 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.802 106.2 55.8 -72.2 -28.5 75.9 50.4 38.6 112 115 A E H X S+ 0 0 87 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.909 108.4 47.8 -66.4 -44.5 75.4 54.2 39.0 113 116 A K H X S+ 0 0 95 -4,-1.7 4,-1.6 2,-0.2 -2,-0.2 0.901 111.5 51.8 -58.4 -44.5 74.0 53.6 42.6 114 117 A L H X S+ 0 0 0 -4,-2.0 4,-0.6 1,-0.2 3,-0.3 0.939 111.7 44.8 -59.6 -48.5 76.9 51.3 43.2 115 118 A I H >< S+ 0 0 36 -4,-2.3 3,-0.9 1,-0.2 -1,-0.2 0.884 111.7 53.2 -64.9 -38.9 79.5 53.9 42.2 116 119 A E H 3< S+ 0 0 169 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.800 106.1 53.9 -66.4 -30.4 77.8 56.6 44.1 117 120 A A H 3< S+ 0 0 36 -4,-1.6 -1,-0.2 -3,-0.3 -2,-0.2 0.581 79.6 114.9 -82.2 -11.6 77.8 54.6 47.3 118 121 A K << - 0 0 25 -3,-0.9 6,-0.1 -4,-0.6 3,-0.1 -0.463 60.7-140.8 -67.7 118.2 81.6 54.0 47.2 119 122 A P > - 0 0 21 0, 0.0 3,-2.2 0, 0.0 91,-0.1 -0.400 36.3 -80.2 -74.1 154.4 83.3 55.7 50.2 120 123 A E T 3 S+ 0 0 161 1,-0.3 88,-0.3 -2,-0.1 3,-0.1 -0.304 116.3 0.9 -57.8 134.9 86.7 57.4 49.6 121 124 A N T 3 S+ 0 0 86 1,-0.2 -1,-0.3 86,-0.1 2,-0.1 0.587 122.4 95.9 59.6 14.4 89.5 54.8 49.7 122 125 A G S < S- 0 0 0 -3,-2.2 51,-0.5 85,-0.1 2,-0.4 -0.283 72.5-104.6-115.7-163.0 86.9 52.1 50.1 123 126 A I E -e 209 0A 0 85,-2.1 87,-2.5 49,-0.1 2,-0.5 -0.981 9.4-151.1-129.7 142.2 84.8 49.6 48.2 124 127 A A E -eF 210 171A 0 47,-2.1 47,-2.1 -2,-0.4 2,-0.5 -0.979 22.2-162.0-107.6 124.4 81.2 49.5 47.1 125 128 A L E -eF 211 170A 0 85,-2.6 87,-2.3 -2,-0.5 2,-0.5 -0.912 13.6-134.9-112.3 128.4 80.1 45.9 46.7 126 129 A L E +e 212 0A 0 43,-2.6 41,-1.5 -2,-0.5 42,-0.4 -0.710 31.7 178.8 -82.6 122.5 77.0 44.8 44.8 127 130 A T E -eF 213 166A 0 85,-2.3 87,-2.3 -2,-0.5 2,-0.3 -0.725 13.4-156.7-117.0 169.6 74.9 42.3 46.7 128 131 A V E - F 0 165A 7 37,-1.8 37,-2.2 -2,-0.2 2,-0.6 -0.995 17.5-125.9-148.8 140.8 71.7 40.4 46.1 129 132 A N E - F 0 164A 73 85,-0.3 2,-0.3 -2,-0.3 35,-0.2 -0.805 29.1-172.5 -90.9 120.3 69.0 38.8 48.3 130 133 A L - 0 0 34 33,-2.2 -2,-0.0 -2,-0.6 0, 0.0 -0.820 27.6-142.9-108.5 150.2 68.3 35.2 47.4 131 134 A D S S+ 0 0 160 -2,-0.3 -1,-0.1 1,-0.3 -2,-0.0 0.861 105.4 31.7 -78.0 -36.9 65.6 33.0 48.8 132 135 A N S S+ 0 0 114 1,-0.1 -1,-0.3 31,-0.1 31,-0.1 -0.822 70.8 171.1-118.0 91.1 67.9 30.0 48.8 133 136 A P > + 0 0 4 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 0.298 24.4 145.0 -83.6 10.3 71.4 31.4 49.3 134 137 A T T 3 + 0 0 88 1,-0.3 3,-0.1 3,-0.0 -2,-0.1 -0.234 68.8 16.7 -54.8 131.2 73.0 27.9 49.7 135 138 A G T 3 S+ 0 0 49 1,-0.3 17,-0.3 0, 0.0 2,-0.3 0.147 104.0 105.5 96.0 -17.4 76.5 27.8 48.3 136 139 A Y S < S- 0 0 114 -3,-2.1 2,-0.3 15,-0.1 -1,-0.3 -0.690 78.5-100.8-104.2 149.3 77.0 31.6 48.2 137 140 A G - 0 0 7 -2,-0.3 29,-1.8 29,-0.2 2,-0.3 -0.503 39.7-130.1 -69.9 126.1 79.1 33.9 50.4 138 141 A R E -GH 150 165A 2 12,-3.0 12,-2.1 -2,-0.3 2,-0.5 -0.575 12.7-124.9 -83.5 136.8 77.0 35.7 53.0 139 142 A I E -G 149 0A 3 25,-2.1 2,-0.7 -2,-0.3 10,-0.2 -0.659 20.6-157.2 -78.6 125.0 77.2 39.4 53.6 140 143 A I E -G 148 0A 23 8,-2.3 7,-2.4 -2,-0.5 8,-0.9 -0.919 8.7-164.2-107.3 109.7 78.0 40.3 57.2 141 144 A R E -G 146 0A 101 -2,-0.7 2,-0.5 5,-0.2 5,-0.2 -0.827 13.2-177.4 -96.3 126.2 76.9 43.8 58.1 142 145 A E E > S-G 145 0A 121 3,-2.4 3,-0.7 -2,-0.5 2,-0.4 -0.956 77.3 -36.3-118.9 109.4 78.2 45.5 61.2 143 146 A N T 3 S- 0 0 156 -2,-0.5 -2,-0.0 1,-0.2 0, 0.0 -0.679 125.4 -31.0 70.2-128.2 76.5 48.9 61.3 144 147 A G T 3 S+ 0 0 44 -2,-0.4 2,-0.3 -3,-0.1 67,-0.3 -0.036 122.1 87.7-107.5 30.2 76.2 50.0 57.6 145 148 A N E < S-G 142 0A 45 -3,-0.7 -3,-2.4 65,-0.1 2,-0.6 -0.953 75.4-120.9-132.2 147.8 79.4 48.3 56.5 146 149 A V E +G 141 0A 0 63,-2.5 63,-0.3 -2,-0.3 -5,-0.2 -0.780 31.6 168.5 -86.6 120.8 80.5 44.9 55.2 147 150 A V E + 0 0 44 -7,-2.4 2,-0.3 -2,-0.6 -1,-0.2 0.559 63.6 8.9-107.9 -15.4 83.1 43.4 57.5 148 151 A A E -G 140 0A 34 -8,-0.9 -8,-2.3 2,-0.0 2,-0.6 -0.973 47.9-147.2-163.4 148.3 83.1 39.8 56.1 149 152 A I E -G 139 0A 25 -2,-0.3 2,-0.6 -10,-0.2 -10,-0.2 -0.966 29.7-159.6-114.1 106.7 81.9 37.6 53.3 150 153 A V E -G 138 0A 23 -12,-2.1 -12,-3.0 -2,-0.6 5,-0.1 -0.807 9.9-137.6 -95.8 118.3 81.4 34.2 55.0 151 154 A E >> - 0 0 75 -2,-0.6 4,-1.4 -14,-0.3 3,-1.1 -0.152 28.4 -97.5 -70.4 166.6 81.4 31.2 52.6 152 155 A Q G >4 S+ 0 0 65 -17,-0.3 3,-0.5 1,-0.2 -16,-0.1 0.904 119.8 47.9 -50.0 -52.4 79.0 28.3 52.9 153 156 A K G 34 S+ 0 0 145 1,-0.2 -1,-0.2 -18,-0.1 -2,-0.0 0.582 114.3 46.3 -75.5 -9.6 81.2 25.9 54.7 154 157 A D G <4 S+ 0 0 116 -3,-1.1 -1,-0.2 2,-0.1 -2,-0.2 0.655 86.1 106.9-100.6 -22.2 82.4 28.5 57.4 155 158 A A << - 0 0 15 -4,-1.4 2,-0.0 -3,-0.5 -4,-0.0 -0.315 61.1-138.2 -67.1 138.5 79.0 30.0 58.3 156 159 A N > - 0 0 77 -2,-0.0 4,-1.5 1,-0.0 -1,-0.1 -0.090 41.3 -80.1 -77.8-172.1 77.4 29.2 61.7 157 160 A A H > S+ 0 0 81 1,-0.2 4,-0.5 2,-0.2 3,-0.1 0.914 129.0 41.2 -62.1 -48.4 73.7 28.4 62.1 158 161 A E H >4 S+ 0 0 148 1,-0.2 3,-0.6 2,-0.2 4,-0.3 0.809 111.7 55.9 -72.2 -30.6 72.4 32.0 62.1 159 162 A Q H >4 S+ 0 0 39 1,-0.2 3,-1.1 2,-0.2 -1,-0.2 0.804 98.3 62.7 -71.5 -29.7 74.8 33.2 59.3 160 163 A L H 3< S+ 0 0 57 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.764 97.3 59.2 -63.6 -26.1 73.3 30.4 57.1 161 164 A N T << S+ 0 0 115 -3,-0.6 -1,-0.2 -4,-0.5 -2,-0.2 0.605 78.7 110.5 -80.3 -12.6 70.0 32.2 57.4 162 165 A I < - 0 0 50 -3,-1.1 -22,-0.0 -4,-0.3 -3,-0.0 -0.470 48.6-169.6 -64.5 131.0 71.4 35.4 55.9 163 166 A K + 0 0 89 -2,-0.2 -33,-2.2 -31,-0.1 2,-0.3 0.655 56.4 99.3 -96.9 -22.8 69.9 35.9 52.4 164 167 A E E - F 0 129A 16 -35,-0.2 -25,-2.1 -25,-0.2 2,-0.3 -0.549 57.6-176.2 -71.9 131.0 72.1 38.8 51.3 165 168 A V E -HF 138 128A 3 -37,-2.2 -37,-1.8 -2,-0.3 2,-0.3 -0.872 27.8-102.5-136.6 154.2 74.9 37.3 49.1 166 169 A N E - F 0 127A 24 -29,-1.8 -29,-0.2 -2,-0.3 -39,-0.2 -0.617 23.0-176.3 -82.4 132.5 78.0 38.4 47.2 167 170 A T E - 0 0 33 -41,-1.5 -1,-0.1 -2,-0.3 -40,-0.1 0.631 39.1-124.8 -97.9 -20.9 77.8 38.9 43.4 168 171 A G E S+ 0 0 8 -42,-0.4 2,-0.4 1,-0.3 -41,-0.1 0.308 71.8 121.4 90.4 -10.1 81.5 39.7 42.9 169 172 A V E + 0 0 10 -43,-0.4 -43,-2.6 -72,-0.1 -1,-0.3 -0.749 37.0 154.0 -89.3 136.7 80.8 43.1 41.2 170 173 A M E -DF 98 125A 0 -72,-0.6 -72,-2.4 -2,-0.4 2,-0.4 -0.975 35.1-136.9-157.7 160.5 82.5 46.0 42.9 171 174 A V E +DF 97 124A 0 -47,-2.1 -47,-2.1 -2,-0.3 2,-0.3 -0.992 30.5 146.7-128.6 135.6 83.9 49.4 42.6 172 175 A S E -D 96 0A 0 -76,-1.8 -76,-2.7 -2,-0.4 -49,-0.1 -0.958 49.4 -85.9-154.8 167.5 87.1 50.9 44.1 173 176 A D E > -D 95 0A 5 -51,-0.5 4,-2.1 -2,-0.3 -78,-0.2 -0.418 40.3-113.1 -77.0 156.1 89.7 53.4 43.0 174 177 A G H > S+ 0 0 0 -80,-2.4 4,-2.3 -83,-0.6 -82,-0.2 0.856 114.3 52.1 -58.7 -41.6 92.7 52.3 40.9 175 178 A A H > S+ 0 0 34 -83,-1.9 4,-2.1 -84,-0.2 -1,-0.2 0.908 109.5 50.1 -62.8 -42.9 95.3 52.9 43.5 176 179 A S H > S+ 0 0 4 -84,-0.3 4,-2.8 1,-0.2 5,-0.3 0.910 110.2 50.6 -62.4 -43.0 93.4 50.8 46.1 177 180 A F H X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 5,-0.3 0.920 109.9 49.7 -59.8 -46.5 93.0 47.9 43.5 178 181 A K H X S+ 0 0 72 -4,-2.3 4,-1.1 1,-0.2 -1,-0.2 0.907 115.0 44.7 -58.9 -42.8 96.7 47.9 42.7 179 182 A K H < S+ 0 0 91 -4,-2.1 4,-0.4 2,-0.2 -2,-0.2 0.944 118.8 39.1 -68.1 -51.5 97.6 47.8 46.4 180 183 A W H >< S+ 0 0 0 -4,-2.8 3,-1.2 1,-0.2 4,-0.4 0.853 108.5 60.4 -73.5 -35.4 95.1 45.1 47.5 181 184 A L H >< S+ 0 0 5 -4,-2.6 3,-1.3 -5,-0.3 -1,-0.2 0.880 100.4 56.8 -61.1 -35.7 95.4 42.9 44.4 182 185 A A T 3< S+ 0 0 74 -4,-1.1 -1,-0.3 -5,-0.3 -2,-0.2 0.718 106.4 52.3 -66.4 -19.2 99.1 42.4 45.2 183 186 A R T < S+ 0 0 103 -3,-1.2 2,-0.4 -4,-0.4 -1,-0.2 0.394 81.1 111.1 -98.6 0.5 98.1 41.1 48.6 184 187 A V < - 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