==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 21-OCT-11 3UAN . COMPND 2 MOLECULE: HEPARAN SULFATE GLUCOSAMINE 3-O-SULFOTRANSFERASE . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR A.F.MOON,Y.XU,S.M.WOODY,J.M.KRAHN,R.J.LINHARDT,J.LIU,L.C.PED . 508 5 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23686.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 348 68.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 38 7.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 23 4.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 1 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 . 35 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 72 14.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 164 32.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.8 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 2 4 4 0 4 2 0 2 0 0 0 0 0 0 2 0 0 0 2 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 5 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 PARALLEL BRIDGES PER LADDER . 1 1 2 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 0 ANTIPARALLEL BRIDGES PER LADDER . 1 2 0 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 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 54 A S 0 0 113 0, 0.0 2,-0.3 0, 0.0 61,-0.2 0.000 360.0 360.0 360.0 134.1 31.2 11.5 23.5 2 55 A T E -A 61 0A 47 59,-2.1 59,-3.0 57,-0.1 2,-0.4 -0.917 360.0 -98.7-141.7 165.8 27.6 12.4 22.8 3 56 A Q E +A 60 0A 30 -2,-0.3 2,-0.3 57,-0.2 57,-0.2 -0.772 41.7 178.7 -89.9 133.4 24.2 12.4 24.4 4 57 A Q - 0 0 48 55,-0.6 3,-0.1 -2,-0.4 303,-0.1 -0.968 35.2-101.8-130.8 148.2 21.9 9.5 23.6 5 58 A L - 0 0 31 -2,-0.3 62,-0.3 1,-0.1 2,-0.1 -0.367 58.5 -86.2 -63.3 150.4 18.4 8.6 24.7 6 59 A P - 0 0 3 0, 0.0 62,-0.2 0, 0.0 -1,-0.1 -0.375 28.8-162.2 -67.6 134.1 18.6 5.8 27.4 7 60 A Q S S+ 0 0 72 60,-1.5 85,-1.5 1,-0.2 2,-0.3 0.523 83.7 27.2 -88.1 -11.2 18.7 2.2 26.1 8 61 A T E -bc 68 92B 0 59,-1.5 61,-0.9 83,-0.2 2,-0.4 -0.993 68.8-163.1-146.8 149.8 17.6 1.1 29.5 9 62 A I E -bc 69 93B 0 83,-1.2 85,-2.8 -2,-0.3 2,-0.8 -0.998 19.8-139.4-133.4 134.0 15.6 2.6 32.3 10 63 A I E -bc 70 94B 0 59,-2.7 61,-2.2 -2,-0.4 64,-0.2 -0.848 27.7-179.1 -87.0 110.6 15.3 1.7 36.0 11 64 A I - 0 0 1 83,-2.3 64,-3.1 -2,-0.8 2,-0.3 0.469 30.6-138.5 -97.3 -3.7 11.6 2.3 36.4 12 65 A G - 0 0 0 82,-0.5 84,-2.9 1,-0.2 -1,-0.2 -0.950 39.6-133.3 145.0-168.1 11.1 1.4 40.1 13 66 A V > - 0 0 0 -2,-0.3 3,-2.6 82,-0.3 5,-0.3 0.586 52.2-116.5 -85.8 156.7 9.8 0.4 42.5 14 67 A R T 3 S+ 0 0 63 58,-0.5 93,-0.1 1,-0.3 -3,-0.0 -0.309 102.3 6.4 -47.0 127.7 10.0 3.3 44.9 15 68 A K T 3 S+ 0 0 26 91,-0.1 -1,-0.3 1,-0.1 91,-0.1 0.607 96.4 119.0 65.8 15.8 12.2 2.2 47.9 16 69 A G S < S- 0 0 1 -3,-2.6 -2,-0.1 80,-0.1 -1,-0.1 0.665 98.3 -85.1 -81.7 -14.6 13.1 -1.0 46.0 17 70 A G S > S+ 0 0 24 -4,-0.3 4,-2.3 79,-0.1 5,-0.2 0.643 74.5 152.8 111.6 35.8 16.8 -0.2 46.0 18 71 A T H > S+ 0 0 6 -5,-0.3 4,-2.2 1,-0.2 5,-0.1 0.869 72.4 47.5 -68.5 -39.1 16.9 2.0 42.8 19 72 A R H > S+ 0 0 46 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.936 111.8 50.6 -67.9 -45.5 19.9 4.1 43.8 20 73 A A H > S+ 0 0 17 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.941 111.4 49.1 -55.6 -47.7 21.9 1.0 44.8 21 74 A L H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.925 112.7 46.8 -59.6 -47.3 21.1 -0.7 41.5 22 75 A L H X S+ 0 0 1 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.946 113.9 46.6 -60.9 -49.8 22.1 2.4 39.5 23 76 A E H < S+ 0 0 33 -4,-2.9 4,-0.4 1,-0.2 -2,-0.2 0.911 114.7 47.6 -60.4 -42.3 25.4 2.9 41.3 24 77 A M H >< S+ 0 0 12 -4,-2.7 3,-1.2 -5,-0.3 4,-0.2 0.909 112.0 48.8 -68.0 -41.5 26.3 -0.7 41.1 25 78 A L H >< S+ 0 0 0 -4,-2.5 3,-2.0 -5,-0.3 -1,-0.2 0.867 102.2 64.6 -64.0 -34.8 25.5 -0.9 37.4 26 79 A S T 3< S+ 0 0 40 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.613 82.1 78.1 -68.0 -10.2 27.6 2.2 36.9 27 80 A L T < S+ 0 0 37 -3,-1.2 -1,-0.3 -4,-0.4 -2,-0.2 0.726 75.0 95.8 -66.2 -21.6 30.7 0.3 37.9 28 81 A H S X S- 0 0 2 -3,-2.0 3,-1.7 -4,-0.2 -3,-0.0 -0.551 77.4-139.0 -74.5 132.0 30.6 -1.2 34.4 29 82 A P T 3 S+ 0 0 78 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.763 101.6 56.1 -61.1 -25.8 32.9 0.6 32.0 30 83 A D T 3 S+ 0 0 54 158,-0.1 36,-3.3 35,-0.1 2,-0.5 0.175 92.2 89.3 -94.3 16.7 30.3 0.3 29.2 31 84 A V E < -d 66 0B 9 -3,-1.7 2,-0.5 34,-0.2 36,-0.2 -0.959 52.0-170.1-118.5 130.9 27.5 2.1 31.3 32 85 A A E -d 67 0B 10 34,-2.9 36,-2.1 -2,-0.5 2,-0.4 -0.980 17.5-163.1-116.0 119.5 26.9 5.8 31.4 33 86 A A E -d 68 0B 30 -2,-0.5 2,-0.3 34,-0.2 36,-0.2 -0.833 22.4-122.2-110.5 139.5 24.4 6.8 34.1 34 87 A A - 0 0 4 34,-2.5 36,-0.2 -2,-0.4 24,-0.1 -0.630 25.6-140.7 -70.5 132.3 22.3 9.9 34.6 35 88 A E S S+ 0 0 69 -2,-0.3 2,-0.2 34,-0.1 -1,-0.1 0.850 75.8 39.5 -67.9 -37.8 23.3 11.2 38.1 36 89 A N S S- 0 0 124 1,-0.0 34,-0.4 -3,-0.0 2,-0.4 -0.666 96.6 -88.1-111.0 163.9 19.9 12.3 39.2 37 90 A E - 0 0 73 -2,-0.2 34,-0.2 1,-0.2 -2,-0.1 -0.591 39.3-160.2 -64.6 126.2 16.3 11.0 39.0 38 91 A V - 0 0 11 32,-0.4 -1,-0.2 -2,-0.4 33,-0.1 0.873 0.2-162.0 -84.6 -37.2 15.0 12.6 35.7 39 92 A H > + 0 0 23 31,-0.1 4,-0.7 3,-0.1 7,-0.2 0.916 36.3 144.5 54.3 48.6 11.3 12.3 36.2 40 93 A F T 4 + 0 0 1 2,-0.1 7,-0.4 6,-0.1 6,-0.1 0.964 67.3 35.2 -79.7 -55.7 10.6 12.8 32.4 41 94 A F T 4 S+ 0 0 0 1,-0.2 -1,-0.1 5,-0.1 42,-0.1 0.725 121.5 46.0 -76.1 -21.3 7.6 10.6 31.8 42 95 A D T 4 S+ 0 0 17 1,-0.1 2,-0.6 38,-0.0 -1,-0.2 0.734 98.7 68.5 -98.1 -26.4 5.9 11.2 35.1 43 96 A W >X - 0 0 129 -4,-0.7 4,-2.8 1,-0.1 3,-1.1 -0.865 66.7-152.6 -97.5 123.4 6.1 15.0 35.6 44 97 A E H 3> S+ 0 0 90 -2,-0.6 4,-2.3 1,-0.3 5,-0.2 0.850 95.1 61.4 -63.7 -34.4 4.0 16.9 33.1 45 98 A E H 34 S+ 0 0 70 1,-0.2 -1,-0.3 2,-0.2 4,-0.1 0.781 115.0 36.3 -61.9 -25.5 6.3 20.0 33.3 46 99 A H H X4 S+ 0 0 39 -3,-1.1 3,-1.5 -7,-0.2 4,-0.3 0.885 116.2 48.4 -91.9 -49.2 9.0 17.7 32.0 47 100 A Y H >< S+ 0 0 62 -4,-2.8 3,-1.7 -7,-0.4 -3,-0.2 0.846 102.8 63.9 -63.5 -33.3 7.2 15.4 29.5 48 101 A S T 3< S+ 0 0 65 -4,-2.3 -1,-0.3 1,-0.3 299,-0.1 0.656 93.0 65.0 -65.3 -15.8 5.5 18.4 27.8 49 102 A Q T < S- 0 0 89 -3,-1.5 4,-0.3 1,-0.2 -1,-0.3 0.603 105.5-129.6 -84.2 -12.3 8.9 19.6 26.7 50 103 A G X> - 0 0 5 -3,-1.7 4,-1.4 -4,-0.3 3,-1.0 -0.039 32.0 -59.3 91.1 169.5 9.5 16.6 24.5 51 104 A L H 3> S+ 0 0 23 292,-2.7 4,-2.8 1,-0.3 293,-0.2 0.742 125.2 69.8 -60.9 -25.3 12.2 14.0 23.9 52 105 A G H 3> S+ 0 0 8 292,-2.5 4,-1.4 -3,-0.2 -1,-0.3 0.906 100.7 46.4 -59.1 -41.5 14.6 16.8 23.1 53 106 A W H <> S+ 0 0 45 -3,-1.0 4,-0.9 291,-0.4 3,-0.3 0.932 110.3 53.0 -65.1 -45.3 14.5 17.9 26.7 54 107 A Y H >< S+ 0 0 0 -4,-1.4 3,-1.2 1,-0.2 4,-0.4 0.928 106.4 53.7 -55.0 -47.7 15.0 14.3 27.9 55 108 A L H >< S+ 0 0 1 -4,-2.8 3,-1.5 1,-0.3 -1,-0.2 0.872 103.1 56.5 -56.0 -39.4 18.1 14.0 25.6 56 109 A T H 3< S+ 0 0 74 -4,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.723 102.0 57.2 -67.9 -20.7 19.6 17.1 27.2 57 110 A Q T << S+ 0 0 89 -3,-1.2 -1,-0.3 -4,-0.9 -2,-0.2 0.528 88.5 102.7 -85.1 -8.0 19.4 15.5 30.7 58 111 A M S < S- 0 0 5 -3,-1.5 -25,-0.1 -4,-0.4 -53,-0.1 -0.446 76.9-111.7 -79.8 148.9 21.4 12.4 29.6 59 112 A P - 0 0 28 0, 0.0 -55,-0.6 0, 0.0 2,-0.3 -0.329 38.8-100.5 -65.1 158.9 25.0 11.9 30.4 60 113 A F E -A 3 0A 129 -57,-0.2 2,-0.3 -27,-0.1 -57,-0.2 -0.691 47.9-166.4 -79.2 137.1 27.6 12.0 27.6 61 114 A S E -A 2 0A 5 -59,-3.0 -59,-2.1 -2,-0.3 6,-0.1 -0.928 19.9-120.6-129.6 152.2 28.5 8.6 26.5 62 115 A S > - 0 0 43 -2,-0.3 3,-2.1 -61,-0.2 -30,-0.1 -0.449 44.7 -95.3 -81.5 162.4 31.2 6.9 24.4 63 116 A P T 3 S+ 0 0 136 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.734 123.0 46.5 -53.1 -31.5 30.2 4.8 21.3 64 117 A H T 3 S+ 0 0 75 2,-0.1 2,-0.3 -33,-0.0 -2,-0.0 0.098 94.4 107.9-100.8 23.1 30.2 1.5 23.1 65 118 A Q < - 0 0 48 -3,-2.1 2,-0.5 -34,-0.1 -34,-0.2 -0.788 61.0-137.4-110.2 148.4 28.3 2.7 26.1 66 119 A L E - d 0 31B 25 -36,-3.3 -34,-2.9 -2,-0.3 2,-0.4 -0.851 20.1-142.1 -99.1 126.5 24.7 2.0 27.3 67 120 A T E + d 0 32B 0 -2,-0.5 -60,-1.5 -62,-0.3 -59,-1.5 -0.768 25.9 174.1 -94.2 133.6 22.9 5.1 28.7 68 121 A V E -bd 8 33B 0 -36,-2.1 -34,-2.5 -2,-0.4 2,-0.3 -0.977 13.5-175.7-137.7 146.5 20.6 4.5 31.7 69 122 A E E -b 9 0B 0 -61,-0.9 -59,-2.7 -2,-0.3 2,-0.4 -0.954 15.4-141.9-133.3 159.0 18.5 6.7 34.1 70 123 A K E +b 10 0B 2 -34,-0.4 -32,-0.4 -2,-0.3 -59,-0.2 -0.988 24.0 163.0-123.7 127.6 16.5 5.8 37.2 71 124 A T > - 0 0 0 -61,-2.2 3,-1.5 -2,-0.4 4,-0.4 -0.879 19.6-162.3-136.5 106.8 13.2 7.3 38.2 72 125 A P G > S+ 0 0 12 0, 0.0 3,-0.6 0, 0.0 -58,-0.5 0.768 83.5 66.4 -63.1 -26.2 11.4 5.2 40.8 73 126 A A G 3 S+ 0 0 31 1,-0.2 3,-0.4 2,-0.1 4,-0.2 0.690 80.3 80.1 -68.8 -21.8 8.0 6.8 40.2 74 127 A Y G X S+ 0 0 0 -3,-1.5 3,-2.0 1,-0.2 6,-0.3 0.918 85.4 57.9 -53.9 -48.6 7.6 5.4 36.7 75 128 A F T < S+ 0 0 1 -64,-3.1 -1,-0.2 -3,-0.6 -2,-0.1 0.864 112.8 36.8 -53.2 -44.6 6.5 1.9 37.8 76 129 A T T 3 S+ 0 0 27 -4,-0.4 -1,-0.3 -3,-0.4 -2,-0.2 0.124 93.2 101.1 -98.9 20.2 3.5 3.0 39.7 77 130 A S X - 0 0 19 -3,-2.0 3,-2.0 -4,-0.2 -1,-0.0 -0.895 61.0-155.0-109.6 106.1 2.5 5.8 37.4 78 131 A P T 3 S+ 0 0 103 0, 0.0 4,-0.4 0, 0.0 -1,-0.1 0.759 90.5 50.3 -49.6 -37.2 -0.4 4.7 35.1 79 132 A K T 3> S+ 0 0 78 1,-0.2 4,-0.9 2,-0.1 3,-0.1 0.643 95.1 75.7 -79.0 -15.9 0.4 7.1 32.3 80 133 A V H <> S+ 0 0 0 -3,-2.0 4,-2.3 -6,-0.3 3,-0.4 0.884 80.9 60.6 -73.4 -44.2 4.1 6.2 32.0 81 134 A P H > S+ 0 0 1 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.914 106.3 48.6 -50.8 -46.8 4.2 2.8 30.2 82 135 A E H > S+ 0 0 125 -4,-0.4 4,-1.7 1,-0.2 -2,-0.2 0.852 110.8 51.0 -64.6 -33.7 2.5 4.2 27.1 83 136 A R H X S+ 0 0 47 -4,-0.9 4,-1.4 -3,-0.4 -1,-0.2 0.885 111.0 46.6 -71.7 -39.5 4.9 7.2 26.9 84 137 A I H X S+ 0 0 0 -4,-2.3 4,-2.9 1,-0.2 3,-0.2 0.921 110.7 53.9 -67.7 -42.1 8.0 5.1 27.2 85 138 A H H < S+ 0 0 65 -4,-2.5 -2,-0.2 -5,-0.3 -1,-0.2 0.860 105.2 54.7 -56.4 -39.2 6.6 2.7 24.6 86 139 A S H < S+ 0 0 69 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.860 111.2 44.6 -64.1 -36.6 6.1 5.7 22.3 87 140 A M H < S- 0 0 33 -4,-1.4 -2,-0.2 -3,-0.2 -1,-0.2 0.934 139.1 -8.7 -71.5 -46.8 9.7 6.6 22.6 88 141 A N >< - 0 0 44 -4,-2.9 3,-1.6 -5,-0.1 -1,-0.2 -0.672 51.2-170.4-160.5 98.8 11.0 3.1 22.2 89 142 A P T 3 S+ 0 0 66 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 0.744 92.5 51.6 -61.5 -24.7 8.9 -0.1 22.0 90 143 A T T 3 S+ 0 0 95 -5,-0.1 -5,-0.1 67,-0.1 67,-0.0 0.297 80.1 133.7 -98.0 9.5 12.0 -2.3 22.2 91 144 A I < - 0 0 2 -3,-1.6 2,-0.5 -7,-0.1 -83,-0.2 -0.190 55.1-126.6 -61.3 149.1 13.6 -0.7 25.2 92 145 A R E -c 8 0B 53 -85,-1.5 -83,-1.2 70,-0.1 2,-0.4 -0.867 27.6-158.9 -96.9 130.7 15.0 -2.9 28.0 93 146 A L E -ce 9 162B 0 68,-3.0 70,-2.5 -2,-0.5 2,-0.5 -0.870 9.4-149.9-116.6 143.2 13.6 -2.1 31.5 94 147 A L E -ce 10 163B 0 -85,-2.8 -83,-2.3 -2,-0.4 -82,-0.5 -0.944 13.3-176.3-111.4 130.0 14.9 -2.8 35.0 95 148 A L E - e 0 164B 0 68,-2.8 70,-3.2 -2,-0.5 2,-0.5 -0.978 7.4-162.3-127.9 116.6 12.5 -3.3 37.9 96 149 A I E - e 0 165B 0 -84,-2.9 2,-0.4 -2,-0.5 70,-0.2 -0.888 13.3-174.0-104.7 124.3 13.8 -3.8 41.4 97 150 A L E - e 0 166B 0 68,-2.6 70,-3.0 -2,-0.5 71,-0.7 -0.934 10.1-172.2-123.3 137.8 11.4 -5.2 43.9 98 151 A R - 0 0 31 -2,-0.4 5,-0.1 69,-0.2 158,-0.1 -0.768 53.5 -62.9-114.0 166.7 11.6 -5.9 47.7 99 152 A D > - 0 0 2 -2,-0.3 4,-2.6 1,-0.1 5,-0.2 -0.245 53.5-128.1 -44.5 129.8 9.2 -7.7 50.0 100 153 A P H > S+ 0 0 0 0, 0.0 4,-1.8 0, 0.0 -1,-0.1 0.844 105.9 48.7 -61.9 -36.3 6.0 -5.6 49.7 101 154 A S H > S+ 0 0 5 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.927 112.8 47.3 -67.3 -45.0 5.6 -5.2 53.5 102 155 A E H > S+ 0 0 46 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.875 110.1 54.1 -62.8 -37.1 9.2 -4.2 53.9 103 156 A R H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.891 106.4 52.0 -63.4 -40.1 8.8 -1.8 51.0 104 157 A V H X S+ 0 0 0 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.939 110.9 47.3 -59.2 -48.2 5.8 -0.2 52.8 105 158 A L H X S+ 0 0 19 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.855 111.7 50.7 -62.1 -37.4 7.9 0.3 55.9 106 159 A S H X S+ 0 0 11 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.880 110.3 50.2 -65.2 -38.5 10.8 1.7 53.9 107 160 A D H X S+ 0 0 2 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.935 111.7 47.1 -66.8 -47.3 8.3 4.1 52.2 108 161 A Y H X S+ 0 0 9 -4,-2.6 4,-2.9 1,-0.2 -2,-0.2 0.917 109.2 54.6 -59.0 -45.8 6.9 5.2 55.6 109 162 A T H X S+ 0 0 10 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.848 107.4 50.1 -61.5 -36.1 10.4 5.7 57.1 110 163 A Q H X S+ 0 0 34 -4,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.916 112.3 46.3 -68.6 -41.5 11.4 8.0 54.3 111 164 A V H X S+ 0 0 30 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.888 111.6 52.3 -70.2 -35.9 8.3 10.2 54.7 112 165 A L H X S+ 0 0 42 -4,-2.9 4,-2.7 2,-0.2 -2,-0.2 0.955 109.1 50.1 -58.9 -50.3 8.8 10.2 58.4 113 166 A Y H X S+ 0 0 77 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.908 107.3 54.3 -54.8 -45.3 12.4 11.4 57.9 114 167 A N H X S+ 0 0 72 -4,-2.4 4,-1.2 1,-0.2 -1,-0.2 0.919 110.8 46.1 -54.5 -45.7 11.1 14.1 55.5 115 168 A H H <>S+ 0 0 34 -4,-2.1 5,-3.0 1,-0.2 3,-0.3 0.905 109.6 54.1 -65.7 -41.7 8.8 15.3 58.3 116 169 A L H ><5S+ 0 0 102 -4,-2.7 3,-1.4 1,-0.2 -2,-0.2 0.884 104.8 54.4 -59.2 -40.5 11.5 15.2 61.0 117 170 A Q H 3<5S+ 0 0 103 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.839 111.8 44.5 -62.3 -33.3 13.8 17.4 58.8 118 171 A K T 3<5S- 0 0 148 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.308 114.0-119.4 -93.0 7.1 11.0 20.0 58.7 119 172 A H T < 5 + 0 0 171 -3,-1.4 -3,-0.2 1,-0.2 -2,-0.1 0.854 66.0 145.7 55.9 39.4 10.3 19.6 62.4 120 173 A K < - 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