==== 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 10-OCT-08 2W0W . COMPND 2 MOLECULE: GLUCOSAMINE-1-PHOSPHATE N-ACETYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HAEMOPHILUS INFLUENZAE; . AUTHOR I.MOCHALKIN,M.MELNICK . 450 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23236.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 361 80.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 123 27.3 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 . 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 . 61 13.6 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 . 64 14.2 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 2 2 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 13 6 2 1 1 1 0 1 1 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 1 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 K 0 0 145 0, 0.0 93,-0.2 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 163.8 46.3 -10.6 75.8 2 5 A A E -a 94 0A 38 91,-0.7 93,-3.3 43,-0.0 2,-0.4 -0.343 360.0-138.4 -79.1 170.8 47.6 -10.5 79.3 3 6 A L E +a 95 0A 19 41,-0.4 43,-3.3 91,-0.2 44,-0.4 -0.994 23.3 171.7-140.0 139.4 50.2 -7.9 80.4 4 7 A S E -a 96 0A 0 91,-2.2 93,-2.2 -2,-0.4 2,-0.3 -0.952 21.2-138.7-136.7 160.2 53.3 -7.6 82.5 5 8 A A E -ab 97 48A 0 42,-2.7 44,-3.2 -2,-0.3 2,-0.4 -0.866 7.1-154.7-123.7 152.4 55.8 -4.8 82.9 6 9 A V E -ab 98 49A 0 91,-2.7 93,-3.6 -2,-0.3 2,-0.6 -0.990 13.3-166.5-122.5 121.7 59.6 -4.2 83.2 7 10 A I E -ab 99 50A 0 42,-2.1 44,-2.6 -2,-0.4 2,-0.5 -0.928 12.9-145.5-112.5 118.2 60.9 -1.2 85.0 8 11 A L E +ab 100 51A 23 91,-2.4 93,-2.7 -2,-0.6 94,-0.3 -0.720 37.3 149.7 -80.2 125.1 64.5 -0.2 84.6 9 12 A A + 0 0 4 42,-2.2 44,-0.4 -2,-0.5 14,-0.2 0.121 37.7 99.1-144.1 18.1 65.6 1.3 87.9 10 13 A A + 0 0 7 42,-0.3 44,-1.8 43,-0.1 42,-0.1 0.649 50.9 123.8 -88.3 -17.8 69.3 0.4 88.2 11 14 A G - 0 0 38 42,-0.1 12,-0.3 1,-0.1 11,-0.3 0.044 57.7-137.7 -55.3 152.9 70.8 3.8 87.0 12 15 A K - 0 0 132 9,-0.1 10,-0.9 10,-0.1 -1,-0.1 0.898 17.4-149.4 -77.6 -45.8 73.2 5.9 89.1 13 16 A G > + 0 0 13 8,-0.2 3,-1.9 9,-0.1 4,-0.4 0.910 25.5 171.7 69.1 45.5 71.9 9.4 88.6 14 17 A T G > S+ 0 0 84 1,-0.3 3,-2.0 2,-0.2 4,-0.1 0.861 71.6 61.4 -50.3 -44.7 75.3 11.1 88.9 15 18 A R G 3 S+ 0 0 164 1,-0.3 211,-0.4 209,-0.1 -1,-0.3 0.531 92.2 67.2 -67.8 -5.6 73.9 14.5 87.9 16 19 A M G < S- 0 0 3 -3,-1.9 -1,-0.3 209,-0.2 -2,-0.2 0.693 94.8-143.7 -79.2 -22.6 71.6 14.4 90.9 17 20 A Y < + 0 0 164 -3,-2.0 2,-0.3 -4,-0.4 -3,-0.1 0.946 51.4 138.5 52.5 57.5 74.7 14.7 93.2 18 21 A S - 0 0 43 -5,-0.4 -1,-0.2 2,-0.2 4,-0.1 -0.941 67.9-144.1-136.2 146.7 73.1 12.4 95.7 19 22 A D S S+ 0 0 164 -2,-0.3 -1,-0.1 -3,-0.1 -2,-0.0 0.474 92.8 81.9 -80.4 -9.4 73.8 9.5 98.1 20 23 A L S S- 0 0 54 -7,-0.1 -2,-0.2 -4,-0.1 2,-0.2 -0.771 94.1-110.6 -87.7 141.3 70.2 8.5 97.1 21 24 A P >> - 0 0 9 0, 0.0 3,-2.3 0, 0.0 4,-0.6 -0.530 32.7-104.9 -72.7 144.9 69.8 6.6 93.8 22 25 A K G >4 S+ 0 0 32 -10,-0.9 3,-1.9 -11,-0.3 10,-0.3 0.788 115.3 50.1 -26.8 -62.7 68.1 8.5 91.0 23 26 A V G 34 S+ 0 0 5 -12,-0.3 10,-2.1 1,-0.3 11,-0.3 0.599 100.2 64.2 -70.7 -12.9 64.7 6.7 91.1 24 27 A L G <4 S+ 0 0 3 -3,-2.3 -1,-0.3 7,-0.2 -2,-0.2 0.590 74.7 109.9 -85.4 -12.8 64.3 7.1 94.9 25 28 A H S << S- 0 0 10 -3,-1.9 7,-2.6 -4,-0.6 2,-0.2 -0.411 73.0-115.5 -61.4 141.3 64.1 10.9 94.5 26 29 A T E -I 31 0B 69 5,-0.3 2,-0.4 6,-0.1 -1,-0.1 -0.469 27.0-167.9 -96.4 150.4 60.5 11.9 95.2 27 30 A I E > S-I 30 0B 0 3,-3.1 3,-1.7 -2,-0.2 8,-0.1 -0.995 90.7 -9.1-123.7 126.0 57.6 13.5 93.3 28 31 A A T 3 S- 0 0 6 -2,-0.4 -1,-0.1 1,-0.3 230,-0.0 0.871 134.4 -51.6 51.4 40.3 54.8 14.6 95.7 29 32 A G T 3 S+ 0 0 53 1,-0.2 -1,-0.3 249,-0.1 231,-0.1 0.478 121.6 91.9 83.9 2.4 56.5 12.8 98.6 30 33 A K E < S-I 27 0B 74 -3,-1.7 -3,-3.1 231,-0.1 -1,-0.2 -0.984 83.3 -93.0-132.9 145.9 57.0 9.5 97.0 31 34 A P E >> -I 26 0B 22 0, 0.0 4,-1.1 0, 0.0 3,-1.1 -0.162 33.0-119.5 -55.7 142.7 59.9 8.0 95.0 32 35 A M H 3> S+ 0 0 0 -7,-2.6 4,-1.1 -9,-0.3 3,-0.5 0.873 113.7 54.2 -45.2 -47.2 59.8 8.3 91.2 33 36 A V H 3> S+ 0 0 0 -10,-2.1 4,-2.3 1,-0.2 -1,-0.3 0.791 99.4 61.7 -65.6 -28.3 59.8 4.6 90.7 34 37 A K H <> S+ 0 0 43 -3,-1.1 4,-2.4 -11,-0.3 -1,-0.2 0.883 100.4 53.2 -68.1 -38.8 56.8 4.2 93.0 35 38 A H H X S+ 0 0 15 -4,-1.1 4,-2.1 -3,-0.5 -1,-0.2 0.856 110.5 48.5 -55.2 -41.4 54.7 6.3 90.6 36 39 A V H X S+ 0 0 0 -4,-1.1 4,-2.7 2,-0.2 -2,-0.2 0.891 109.5 51.4 -71.3 -41.9 55.7 4.0 87.7 37 40 A I H X S+ 0 0 4 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.934 110.7 49.2 -58.4 -47.3 54.9 0.8 89.7 38 41 A D H X S+ 0 0 43 -4,-2.4 4,-2.9 1,-0.2 5,-0.2 0.910 111.9 47.8 -62.6 -43.9 51.4 2.2 90.5 39 42 A T H X S+ 0 0 27 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.926 110.3 52.5 -60.9 -44.5 50.8 3.0 86.9 40 43 A A H X>S+ 0 0 0 -4,-2.7 5,-2.0 1,-0.2 4,-0.7 0.897 113.4 44.2 -57.9 -41.3 52.0 -0.4 85.8 41 44 A H H ><5S+ 0 0 105 -4,-2.3 3,-0.8 2,-0.2 -2,-0.2 0.912 112.2 50.3 -70.3 -45.0 49.6 -2.0 88.3 42 45 A Q H 3<5S+ 0 0 119 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.831 103.8 61.5 -62.3 -32.7 46.6 0.3 87.3 43 46 A L H 3<5S- 0 0 21 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.801 125.5-105.4 -60.3 -31.3 47.4 -0.7 83.7 44 47 A G T <<5 + 0 0 47 -3,-0.8 -41,-0.4 -4,-0.7 -3,-0.2 0.567 55.4 172.2 115.5 15.9 46.6 -4.3 84.7 45 48 A S < - 0 0 10 -5,-2.0 -41,-0.3 1,-0.1 -1,-0.2 -0.291 23.3-162.5 -58.0 130.6 50.1 -5.9 84.9 46 49 A E S S+ 0 0 126 -43,-3.3 2,-0.4 1,-0.2 -42,-0.2 0.923 81.7 25.3 -75.9 -49.8 50.2 -9.4 86.3 47 50 A N - 0 0 68 -44,-0.4 -42,-2.7 -7,-0.0 2,-0.5 -0.898 64.2-161.8-113.9 146.5 53.9 -9.2 87.0 48 51 A I E -b 5 0A 11 -2,-0.4 21,-3.4 -44,-0.2 2,-0.9 -0.971 10.8-158.1-123.5 114.0 56.1 -6.1 87.5 49 52 A H E -bc 6 69A 2 -44,-3.2 -42,-2.1 -2,-0.5 2,-0.8 -0.790 5.5-161.0 -98.5 98.8 59.8 -6.8 87.0 50 53 A L E -bc 7 70A 0 19,-1.6 21,-3.3 -2,-0.9 2,-0.7 -0.709 2.3-158.8 -83.3 108.9 61.9 -4.3 88.8 51 54 A I E +bc 8 71A 1 -44,-2.6 -42,-2.2 -2,-0.8 2,-0.3 -0.801 24.6 171.0 -85.2 116.9 65.5 -4.2 87.4 52 55 A Y E + c 0 72A 22 19,-2.6 21,-2.9 -2,-0.7 -42,-0.3 -0.875 20.2 137.2-131.6 163.7 67.7 -2.7 90.0 53 56 A G > + 0 0 14 1,-0.5 3,-0.7 -44,-0.4 -42,-0.1 -0.006 51.3 67.1-158.5 -90.7 71.4 -2.1 90.7 54 57 A H T 3 S+ 0 0 73 -44,-1.8 -1,-0.5 1,-0.2 5,-0.1 -0.253 114.7 10.6 -59.0 136.2 73.0 1.1 92.1 55 58 A G T 3> S+ 0 0 34 -3,-0.1 4,-1.8 3,-0.1 -1,-0.2 0.925 83.1 166.3 56.8 48.0 72.1 1.9 95.7 56 59 A G H <> + 0 0 14 -3,-0.7 4,-2.3 1,-0.2 5,-0.2 0.894 67.0 51.1 -61.2 -48.2 70.5 -1.6 96.0 57 60 A D H > S+ 0 0 140 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.894 110.1 51.0 -57.6 -42.1 70.2 -1.7 99.7 58 61 A L H > S+ 0 0 65 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.886 108.4 52.5 -65.2 -40.2 68.4 1.7 99.7 59 62 A M H X S+ 0 0 0 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.950 109.9 48.3 -54.9 -52.9 66.0 0.5 97.0 60 63 A R H < S+ 0 0 130 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.825 115.7 42.4 -64.4 -35.8 65.1 -2.6 99.1 61 64 A T H >< S+ 0 0 99 -4,-2.0 3,-0.5 -5,-0.2 -1,-0.2 0.872 118.4 45.0 -75.1 -39.5 64.4 -0.7 102.3 62 65 A H H 3< S+ 0 0 102 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.2 0.693 124.6 32.8 -78.9 -21.2 62.6 2.2 100.6 63 66 A L T >< S+ 0 0 3 -4,-2.1 3,-2.1 -5,-0.2 -1,-0.2 0.077 76.3 129.3-123.1 24.2 60.4 -0.1 98.4 64 67 A A T < S+ 0 0 66 -3,-0.5 -1,-0.1 1,-0.3 -2,-0.1 0.840 75.5 46.6 -47.7 -47.1 60.0 -3.1 100.7 65 68 A N T 3 S+ 0 0 153 -4,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.398 82.9 121.5 -80.4 2.3 56.2 -3.3 100.4 66 69 A E < - 0 0 36 -3,-2.1 2,-2.1 1,-0.1 -3,-0.1 -0.542 67.3-129.3 -75.7 128.1 56.1 -2.9 96.6 67 70 A Q + 0 0 168 -2,-0.3 2,-0.3 2,-0.1 -19,-0.1 -0.502 65.0 122.6 -77.6 76.9 54.5 -5.9 94.8 68 71 A V - 0 0 25 -2,-2.1 2,-0.7 -21,-0.1 -19,-0.2 -0.875 68.3-113.1-137.7 161.0 57.3 -6.5 92.4 69 72 A N E -c 49 0A 55 -21,-3.4 -19,-1.6 -2,-0.3 2,-0.6 -0.920 37.3-136.0 -99.0 112.8 59.7 -9.1 91.2 70 73 A W E -c 50 0A 56 -2,-0.7 2,-0.6 -21,-0.2 -19,-0.2 -0.589 23.2-176.1 -77.3 111.3 63.2 -8.0 92.3 71 74 A V E -c 51 0A 12 -21,-3.3 -19,-2.6 -2,-0.6 2,-0.3 -0.899 13.2-150.8-114.7 104.2 65.8 -8.4 89.5 72 75 A L E -c 52 0A 86 -2,-0.6 2,-0.8 -21,-0.2 -19,-0.2 -0.545 2.6-147.8 -78.4 131.9 69.3 -7.5 90.5 73 76 A Q + 0 0 19 -21,-2.9 3,-0.1 -2,-0.3 9,-0.1 -0.872 23.1 169.6-101.4 102.9 71.7 -6.3 87.8 74 77 A T + 0 0 106 -2,-0.8 2,-0.4 1,-0.2 -1,-0.2 0.980 67.6 40.1 -74.1 -62.1 75.3 -7.4 88.8 75 78 A E S S- 0 0 117 1,-0.0 2,-1.5 2,-0.0 -1,-0.2 -0.793 80.5-132.8 -97.6 129.0 77.1 -6.5 85.6 76 79 A Q + 0 0 97 -2,-0.4 3,-0.1 1,-0.2 -1,-0.0 -0.615 46.7 149.5 -83.0 87.4 76.3 -3.2 83.8 77 80 A L - 0 0 45 -2,-1.5 116,-2.3 1,-0.4 4,-0.3 -0.008 60.7 -82.9-114.3 27.5 76.0 -4.5 80.2 78 81 A G >> - 0 0 11 114,-0.2 4,-1.4 1,-0.1 3,-0.5 0.032 51.1 -72.1 87.6 163.2 73.5 -2.1 78.7 79 82 A T H 3> S+ 0 0 54 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.781 125.0 56.6 -67.4 -35.3 69.7 -2.0 78.7 80 83 A A H 3> S+ 0 0 1 113,-1.9 4,-1.5 1,-0.2 -1,-0.2 0.863 109.6 47.8 -62.1 -36.6 69.0 -4.9 76.4 81 84 A H H <> S+ 0 0 37 112,-0.7 4,-0.9 -3,-0.5 -2,-0.2 0.818 109.6 53.3 -74.3 -33.0 71.0 -7.2 78.7 82 85 A A H >X S+ 0 0 1 -4,-1.4 3,-0.8 111,-0.2 4,-0.7 0.940 110.1 45.5 -65.3 -49.2 69.2 -5.9 81.8 83 86 A V H >X S+ 0 0 0 -4,-2.2 4,-1.1 1,-0.3 3,-1.0 0.853 105.0 63.9 -64.1 -34.0 65.7 -6.6 80.3 84 87 A Q H 3< S+ 0 0 65 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.805 94.3 60.9 -58.1 -31.4 67.0 -10.0 79.2 85 88 A Q H << S+ 0 0 51 -4,-0.9 -1,-0.3 -3,-0.8 -2,-0.2 0.808 109.3 41.5 -65.1 -31.7 67.5 -10.8 82.9 86 89 A A H X< S+ 0 0 0 -3,-1.0 3,-1.6 -4,-0.7 4,-0.4 0.629 96.0 87.1 -84.7 -15.0 63.7 -10.4 83.4 87 90 A A G >< S+ 0 0 5 -4,-1.1 3,-1.6 1,-0.3 -2,-0.2 0.792 72.9 65.8 -60.3 -37.4 63.0 -12.2 80.1 88 91 A P G 3 S+ 0 0 100 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.686 101.2 54.3 -60.3 -14.8 63.0 -15.8 81.5 89 92 A F G < S+ 0 0 112 -3,-1.6 -2,-0.2 -4,-0.1 2,-0.1 0.606 83.5 109.5 -91.8 -14.2 59.8 -14.8 83.5 90 93 A F < - 0 0 5 -3,-1.6 2,-0.3 -4,-0.4 6,-0.1 -0.410 65.1-136.0 -64.8 132.6 57.9 -13.5 80.4 91 94 A K > - 0 0 140 -2,-0.1 3,-1.4 1,-0.1 83,-0.6 -0.737 16.2-128.3 -83.9 139.8 54.9 -15.6 79.3 92 95 A D T 3 S+ 0 0 87 -2,-0.3 83,-1.0 82,-0.3 84,-0.3 0.864 104.4 46.9 -55.6 -41.8 54.8 -16.1 75.5 93 96 A N T 3 S+ 0 0 131 81,-0.1 -91,-0.7 80,-0.1 2,-0.3 0.206 96.7 87.7 -93.6 13.0 51.2 -15.0 75.1 94 97 A E E < S-a 2 0A 2 -3,-1.4 80,-2.3 -93,-0.2 -91,-0.2 -0.851 76.2-117.1-111.8 149.4 51.4 -11.8 77.2 95 98 A N E -aD 3 173A 14 -93,-3.3 -91,-2.2 -2,-0.3 2,-0.5 -0.578 24.9-152.1 -75.0 145.5 52.3 -8.3 76.3 96 99 A I E -aD 4 172A 0 76,-2.6 76,-1.5 -2,-0.2 2,-0.5 -0.985 5.0-160.9-123.2 117.0 55.4 -6.8 78.0 97 100 A V E -aD 5 171A 0 -93,-2.2 -91,-2.7 -2,-0.5 2,-0.5 -0.872 9.0-146.9 -99.7 129.4 55.7 -3.1 78.5 98 101 A V E +aD 6 170A 0 72,-2.7 72,-0.7 -2,-0.5 2,-0.2 -0.845 26.6 171.3 -96.6 124.5 59.2 -1.6 79.2 99 102 A L E -a 7 0A 1 -93,-3.6 -91,-2.4 -2,-0.5 2,-0.4 -0.783 27.6-125.7-129.3 171.2 59.2 1.4 81.5 100 103 A Y E > -a 8 0A 44 3,-0.3 3,-2.4 -2,-0.2 -91,-0.2 -0.978 7.2-145.7-129.2 123.5 61.7 3.6 83.3 101 104 A G T 3 S+ 0 0 0 -93,-2.7 -65,-0.1 -2,-0.4 -66,-0.1 0.451 101.6 57.0 -65.6 -1.5 61.7 4.3 87.0 102 105 A D T 3 S+ 0 0 32 -94,-0.3 121,-1.9 1,-0.2 -1,-0.3 0.237 92.5 68.8-112.1 8.1 63.0 7.8 86.3 103 106 A A X + 0 0 14 -3,-2.4 3,-0.9 119,-0.2 -3,-0.3 -0.664 63.9 166.8-120.2 76.4 60.2 8.8 84.0 104 107 A P T 3 + 0 0 4 0, 0.0 -65,-0.1 0, 0.0 -1,-0.1 0.582 58.1 65.0 -73.8 -16.8 57.4 9.0 86.6 105 108 A L T 3 + 0 0 13 116,-0.4 115,-0.1 113,-0.3 114,-0.1 0.534 62.2 130.4 -90.9 -9.0 54.6 10.8 84.8 106 109 A I < - 0 0 7 -3,-0.9 2,-0.2 113,-0.2 114,-0.1 -0.186 52.4-136.5 -45.3 127.9 53.8 8.2 82.1 107 110 A T > - 0 0 17 1,-0.1 4,-1.8 -68,-0.0 5,-0.1 -0.570 16.3-125.5 -99.2 159.1 50.0 7.7 82.2 108 111 A K H > S+ 0 0 76 -2,-0.2 4,-1.9 2,-0.2 5,-0.2 0.890 110.9 53.7 -55.9 -45.0 47.7 4.7 82.1 109 112 A E H > S+ 0 0 111 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.898 108.9 46.4 -64.5 -44.7 45.8 6.2 79.2 110 113 A T H > S+ 0 0 21 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.871 113.1 50.0 -64.8 -39.6 48.9 6.7 77.0 111 114 A L H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.824 107.8 53.6 -69.9 -31.7 50.1 3.2 77.7 112 115 A E H X S+ 0 0 93 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.863 108.7 49.8 -67.5 -38.3 46.7 1.8 76.9 113 116 A K H X S+ 0 0 126 -4,-1.7 4,-0.9 2,-0.2 -2,-0.2 0.842 111.5 49.7 -65.6 -36.8 46.9 3.6 73.5 114 117 A L H < S+ 0 0 0 -4,-1.6 4,-0.3 2,-0.2 -2,-0.2 0.897 110.7 48.0 -71.1 -44.2 50.4 2.1 72.9 115 118 A I H >< S+ 0 0 34 -4,-2.2 3,-1.7 1,-0.2 -2,-0.2 0.943 111.0 50.7 -61.5 -48.1 49.5 -1.4 73.8 116 119 A E H 3< S+ 0 0 173 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.718 107.3 54.5 -67.2 -22.6 46.4 -1.4 71.5 117 120 A A T 3< S+ 0 0 37 -4,-0.9 -1,-0.3 -3,-0.2 -2,-0.2 0.494 81.8 112.1 -87.9 -5.8 48.4 -0.1 68.6 118 121 A K < - 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0 0 17 -7,-2.4 2,-0.3 -2,-0.4 56,-0.2 0.719 57.2 -4.5-118.6 -38.2 62.7 1.0 60.5 148 151 A A E -G 140 0A 32 -8,-1.2 -8,-2.4 51,-0.1 2,-0.4 -0.922 50.8-128.8-150.1 172.4 65.5 2.1 62.9 149 152 A I E -G 139 0A 20 -2,-0.3 2,-0.5 -10,-0.2 -10,-0.2 -0.999 22.1-162.4-127.4 132.5 66.6 4.5 65.7 150 153 A V E -G 138 0A 24 -12,-2.5 -12,-3.5 -2,-0.4 2,-0.1 -0.969 9.3-142.5-122.7 122.2 69.8 6.5 65.4 151 154 A E >> - 0 0 70 -2,-0.5 3,-1.9 -14,-0.3 4,-0.9 -0.337 32.8-100.6 -74.8 160.4 71.6 8.2 68.3 152 155 A Q G >4 S+ 0 0 63 -17,-0.3 3,-1.2 1,-0.3 -16,-0.1 0.875 117.6 58.9 -46.1 -51.4 73.3 11.6 68.1 153 156 A K G 34 S+ 0 0 204 1,-0.3 -1,-0.3 -18,-0.1 -2,-0.0 0.523 114.9 35.8 -65.2 -6.6 76.8 10.2 67.8 154 157 A D G <4 S+ 0 0 116 -3,-1.9 2,-0.3 2,-0.1 -1,-0.3 0.453 90.9 114.5-119.9 -9.2 75.9 8.3 64.6 155 158 A A << - 0 0 14 -3,-1.2 2,-0.0 -4,-0.9 -3,-0.0 -0.517 55.4-142.5 -78.2 125.9 73.4 10.7 63.0 156 159 A N > - 0 0 81 -2,-0.3 4,-2.8 1,-0.1 5,-0.2 -0.230 39.2 -84.0 -74.5 171.1 74.3 12.4 59.7 157 160 A A T 4 S+ 0 0 79 1,-0.2 4,-0.1 2,-0.2 -2,-0.1 0.813 130.3 39.5 -44.8 -44.3 73.5 16.0 58.7 158 161 A E T >4 S+ 0 0 150 2,-0.2 3,-1.5 1,-0.2 4,-0.4 0.871 113.1 53.1 -78.0 -41.4 70.0 15.1 57.6 159 162 A Q G >4 S+ 0 0 39 1,-0.3 3,-1.7 2,-0.2 -2,-0.2 0.879 101.0 61.9 -61.6 -38.9 69.2 12.6 60.3 160 163 A L G 3< S+ 0 0 57 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.603 96.9 62.9 -60.0 -12.7 70.2 15.2 62.9 161 164 A N G < S+ 0 0 113 -3,-1.5 -1,-0.3 -5,-0.2 2,-0.2 0.641 74.8 108.3 -88.7 -18.2 67.2 17.2 61.4 162 165 A I < - 0 0 49 -3,-1.7 -22,-0.0 -4,-0.4 -3,-0.0 -0.446 51.0-166.0 -62.5 126.4 64.6 14.6 62.4 163 166 A K + 0 0 113 -2,-0.2 -33,-2.8 -25,-0.1 2,-0.5 0.516 60.9 92.3 -97.1 -6.7 62.5 16.0 65.3 164 167 A E E - F 0 129A 13 -35,-0.2 -25,-2.6 -25,-0.2 2,-0.2 -0.789 60.3-173.4 -89.7 126.4 60.8 12.8 66.3 165 168 A V E -HF 138 128A 5 -37,-2.8 -37,-1.7 -2,-0.5 2,-0.5 -0.766 26.6 -98.9-123.9 164.9 62.8 11.0 69.1 166 169 A N E - F 0 127A 30 -29,-2.3 -29,-0.3 -2,-0.2 -39,-0.2 -0.703 20.0-172.0 -87.2 125.3 62.8 7.7 71.1 167 170 A T E - 0 0 27 -41,-1.9 -40,-0.1 -2,-0.5 -1,-0.1 0.546 39.7-125.9 -88.1 -11.5 61.2 7.7 74.6 168 171 A G E S+ 0 0 7 -42,-0.4 2,-0.4 1,-0.3 -41,-0.1 0.220 70.3 126.7 86.1 -14.9 62.5 4.1 75.2 169 172 A V E + 0 0 8 -43,-0.3 -43,-3.2 51,-0.1 2,-0.3 -0.651 33.1 160.1 -82.5 127.2 59.0 2.9 76.1 170 173 A M E -DF 98 125A 4 -72,-0.7 -72,-2.7 -2,-0.4 2,-0.4 -0.989 28.8-151.6-148.5 153.4 57.9 -0.1 74.1 171 174 A V E +DF 97 124A 0 -47,-2.9 -47,-2.3 -2,-0.3 2,-0.3 -0.987 26.6 145.5-125.8 134.9 55.4 -3.0 74.0 172 175 A S E -D 96 0A 1 -76,-1.5 -76,-2.6 -2,-0.4 -49,-0.1 -0.958 49.7 -86.7-155.0 164.1 55.8 -6.5 72.5 173 176 A D E > -D 95 0A 8 -51,-0.5 4,-1.9 -2,-0.3 -78,-0.2 -0.359 41.2-111.6 -70.9 154.9 54.7 -10.0 73.2 174 177 A G H > S+ 0 0 0 -80,-2.3 4,-2.4 -83,-0.6 -82,-0.3 0.917 113.7 49.3 -52.0 -57.9 56.9 -12.2 75.6 175 178 A A H > S+ 0 0 37 -83,-1.0 4,-2.2 1,-0.2 -1,-0.2 0.858 110.4 52.8 -53.0 -41.2 58.1 -14.8 73.0 176 179 A S H > S+ 0 0 3 -84,-0.3 4,-3.2 2,-0.2 5,-0.3 0.910 109.0 49.1 -61.7 -45.9 59.2 -11.9 70.6 177 180 A F H X S+ 0 0 0 -4,-1.9 4,-3.3 2,-0.2 5,-0.3 0.972 112.1 47.1 -56.5 -59.2 61.2 -10.2 73.4 178 181 A K H X S+ 0 0 71 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.879 116.4 47.6 -47.0 -44.0 63.0 -13.4 74.3 179 182 A K H X S+ 0 0 81 -4,-2.2 4,-0.8 -5,-0.2 -2,-0.2 0.931 117.7 37.2 -68.9 -49.9 63.6 -14.1 70.6 180 183 A W H < S+ 0 0 0 -4,-3.2 3,-0.3 2,-0.2 -2,-0.2 0.865 112.6 57.6 -74.7 -37.4 64.9 -10.6 69.7 181 184 A L H >< S+ 0 0 4 -4,-3.3 3,-1.9 -5,-0.3 -1,-0.2 0.921 103.1 53.7 -57.5 -47.8 66.8 -10.0 72.9 182 185 A A H 3< S+ 0 0 69 -4,-1.6 -1,-0.2 -5,-0.3 -2,-0.2 0.838 106.1 55.0 -55.0 -34.7 68.9 -13.1 72.4 183 186 A R T 3< S+ 0 0 112 -4,-0.8 2,-0.5 -3,-0.3 -1,-0.3 0.371 81.4 110.4 -85.0 3.2 69.9 -11.8 68.9 184 187 A V < - 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