==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 17-NOV-09 3KPY . COMPND 2 MOLECULE: PHENYLETHANOLAMINE N-METHYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR N.DRINKWATER,J.L.MARTIN . 527 4 2 0 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20478.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 377 71.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 48 9.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 56 10.6 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 . 37 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 62 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 145 27.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.3 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 0 0 0 0 2 2 7 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 4 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 PARALLEL BRIDGES PER LADDER . 3 0 0 2 0 0 0 2 2 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 . 0 2 0 0 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 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 24 A A 0 0 92 0, 0.0 205,-0.0 0, 0.0 163,-0.0 0.000 360.0 360.0 360.0 -22.3 35.0 52.6 31.9 2 25 A S > + 0 0 101 1,-0.2 3,-1.7 2,-0.2 4,-0.2 0.704 360.0 68.3 -81.8 -24.7 38.8 52.9 32.0 3 26 A A G > S+ 0 0 40 1,-0.3 3,-1.8 2,-0.2 4,-0.3 0.874 89.5 63.2 -58.8 -36.5 38.8 50.0 29.6 4 27 A Y G 3 S+ 0 0 11 1,-0.3 3,-0.3 2,-0.2 -1,-0.3 0.552 85.5 75.7 -68.4 -5.5 37.3 52.4 27.1 5 28 A Q G < S+ 0 0 131 -3,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.634 97.5 44.9 -79.7 -14.9 40.5 54.4 27.2 6 29 A R S < S+ 0 0 179 -3,-1.8 198,-0.6 -4,-0.2 197,-0.5 0.389 83.3 130.9-104.1 -1.0 42.3 51.8 25.1 7 30 A F - 0 0 8 -3,-0.3 195,-0.2 -4,-0.3 75,-0.1 -0.357 46.5-153.3 -57.4 117.2 39.4 51.5 22.6 8 31 A E > - 0 0 77 193,-2.2 4,-2.1 -2,-0.2 5,-0.2 -0.863 5.0-157.7 -99.8 112.1 40.7 51.8 19.1 9 32 A P H > S+ 0 0 16 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.904 92.2 49.6 -51.7 -50.1 38.1 53.2 16.6 10 33 A R H > S+ 0 0 119 1,-0.2 4,-2.9 2,-0.2 5,-0.1 0.907 110.1 50.6 -60.6 -43.0 39.8 51.7 13.5 11 34 A A H > S+ 0 0 16 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.875 112.1 48.8 -61.6 -36.9 40.1 48.3 15.1 12 35 A Y H X S+ 0 0 9 -4,-2.1 4,-1.7 2,-0.2 5,-0.3 0.920 111.7 46.7 -68.9 -45.2 36.4 48.4 16.0 13 36 A L H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 5,-0.3 0.896 114.1 51.1 -61.3 -41.2 35.4 49.5 12.5 14 37 A R H X S+ 0 0 184 -4,-2.9 4,-0.9 -5,-0.2 -2,-0.2 0.944 111.5 45.6 -57.1 -51.8 37.6 46.7 11.2 15 38 A N H < S+ 0 0 27 -4,-2.5 6,-0.2 1,-0.2 -1,-0.2 0.763 130.0 19.9 -66.6 -29.2 36.1 44.0 13.5 16 39 A N H < S+ 0 0 26 -4,-1.7 -2,-0.2 -5,-0.1 -3,-0.2 0.642 127.4 38.8-119.2 -20.8 32.5 44.9 12.9 17 40 A Y H < S+ 0 0 12 -4,-2.5 -3,-0.2 -5,-0.3 -2,-0.1 0.315 101.7 69.2-125.9 8.9 32.1 46.9 9.6 18 41 A A S X S- 0 0 32 -4,-0.9 4,-1.2 -5,-0.3 3,-0.5 -0.837 94.5 -24.8-115.2 160.7 34.6 45.2 7.3 19 42 A P T 4 S+ 0 0 107 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.078 121.5 20.2 -44.9 145.0 34.2 41.7 5.9 20 43 A P T >4 S+ 0 0 65 0, 0.0 3,-1.8 0, 0.0 219,-0.1 -0.928 139.6 29.0 -83.3 -27.1 32.7 39.3 6.8 21 44 A R T 34 S+ 0 0 13 -3,-0.5 10,-0.5 1,-0.3 -5,-0.1 0.733 124.2 53.1 -62.7 -22.1 30.4 41.2 9.1 22 45 A G T 3< S+ 0 0 9 -4,-1.2 2,-0.5 -8,-0.2 -1,-0.3 0.454 79.0 112.3 -92.0 -3.1 30.7 44.2 6.8 23 46 A D < + 0 0 70 -3,-1.8 8,-0.3 -5,-0.3 6,-0.1 -0.613 40.0 179.5 -71.8 120.1 29.7 42.3 3.6 24 47 A L + 0 0 8 -2,-0.5 -1,-0.2 1,-0.1 5,-0.1 0.563 61.8 85.4 -99.3 -9.1 26.4 43.7 2.6 25 48 A a S S+ 0 0 18 358,-0.1 359,-0.3 2,-0.1 -1,-0.1 0.905 77.6 70.3 -59.0 -47.0 26.0 41.6 -0.6 26 49 A N S > S- 0 0 65 1,-0.1 3,-1.6 -3,-0.1 -1,-0.0 -0.649 73.1-152.5 -76.5 119.2 24.5 38.6 1.3 27 50 A P T 3 S+ 0 0 77 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.633 91.7 63.2 -67.2 -14.3 21.0 39.5 2.5 28 51 A N T 3 S+ 0 0 124 4,-0.1 -3,-0.0 5,-0.0 -4,-0.0 0.439 82.8 102.8 -92.4 0.4 21.3 37.1 5.4 29 52 A G S <> S- 0 0 6 -3,-1.6 4,-1.6 -6,-0.1 5,-0.1 -0.261 83.4-110.1 -77.9 170.4 24.2 38.9 7.1 30 53 A V H > S+ 0 0 12 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.854 111.7 59.0 -70.5 -36.5 23.9 41.2 10.1 31 54 A G H > S+ 0 0 2 -10,-0.5 4,-2.3 -8,-0.3 5,-0.2 0.963 109.0 41.8 -57.7 -56.1 24.6 44.4 8.3 32 55 A P H > S+ 0 0 4 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.893 112.8 55.1 -60.0 -40.7 21.7 44.1 5.9 33 56 A W H X S+ 0 0 30 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.938 109.5 47.2 -57.0 -47.9 19.4 42.9 8.7 34 57 A K H X S+ 0 0 9 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.938 111.8 48.7 -59.7 -49.8 20.2 46.0 10.8 35 58 A L H X S+ 0 0 2 -4,-2.3 4,-3.0 1,-0.2 -1,-0.2 0.880 109.8 54.5 -58.6 -38.2 19.7 48.4 7.9 36 59 A R H X S+ 0 0 69 -4,-2.4 4,-3.1 2,-0.2 5,-0.3 0.916 105.7 50.5 -61.9 -47.2 16.3 46.7 7.1 37 60 A C H X S+ 0 0 1 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.934 115.0 44.5 -56.8 -47.5 15.0 47.2 10.7 38 61 A L H X S+ 0 0 3 -4,-2.1 4,-2.1 2,-0.2 5,-0.2 0.954 116.4 45.3 -62.3 -49.9 15.9 50.9 10.5 39 62 A A H X S+ 0 0 6 -4,-3.0 4,-2.0 1,-0.2 -2,-0.2 0.936 113.4 48.2 -61.5 -51.2 14.5 51.4 7.0 40 63 A Q H X S+ 0 0 81 -4,-3.1 4,-0.8 1,-0.2 -1,-0.2 0.901 110.4 52.7 -56.9 -44.1 11.3 49.6 7.5 41 64 A T H >< S+ 0 0 2 -4,-2.0 3,-0.8 -5,-0.3 5,-0.5 0.929 113.3 41.9 -60.7 -47.5 10.6 51.4 10.8 42 65 A F H >< S+ 0 0 2 -4,-2.1 3,-1.4 1,-0.2 -1,-0.2 0.776 105.4 65.4 -70.5 -26.3 11.1 54.9 9.3 43 66 A A H 3< S+ 0 0 84 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.723 86.9 71.6 -70.7 -19.0 9.1 53.8 6.2 44 67 A T T << S- 0 0 62 -4,-0.8 -1,-0.3 -3,-0.8 -2,-0.2 0.768 98.8-137.1 -62.9 -26.6 6.1 53.5 8.4 45 68 A G S < S+ 0 0 47 -3,-1.4 -3,-0.1 -4,-0.3 -2,-0.1 0.492 77.8 105.9 78.4 5.6 6.0 57.3 8.7 46 69 A E + 0 0 103 -5,-0.5 2,-0.7 1,-0.1 -4,-0.1 0.561 63.4 69.6 -95.2 -9.8 5.2 57.0 12.4 47 70 A V S S+ 0 0 1 -6,-0.3 2,-0.3 -5,-0.2 -2,-0.2 -0.925 74.1 117.4-108.7 109.7 8.7 58.1 13.5 48 71 A S + 0 0 59 -2,-0.7 2,-0.3 105,-0.2 139,-0.1 -0.961 13.5 114.1-164.0 171.8 9.2 61.7 12.7 49 72 A G - 0 0 42 21,-0.8 23,-0.3 -2,-0.3 3,-0.1 -0.979 67.0 -73.0 147.7-157.5 9.7 65.2 14.1 50 73 A R S S+ 0 0 112 -2,-0.3 23,-2.3 1,-0.2 2,-0.4 0.787 101.3 42.0-107.8 -38.1 12.4 67.9 13.9 51 74 A T E +a 73 0A 6 21,-0.2 102,-1.5 20,-0.1 103,-0.9 -0.923 54.3 179.2-124.8 141.9 15.3 66.7 16.2 52 75 A L E -ab 74 154A 0 21,-2.3 23,-2.5 -2,-0.4 2,-0.4 -0.991 10.9-156.1-136.8 141.1 17.0 63.3 16.7 53 76 A I E -ab 75 155A 1 101,-1.9 103,-2.4 -2,-0.4 2,-0.6 -0.979 7.5-148.9-121.7 134.3 19.8 62.3 19.0 54 77 A D E > -ab 76 156A 0 21,-3.0 23,-0.7 -2,-0.4 2,-0.6 -0.887 15.9-147.8-101.4 118.8 22.1 59.3 18.4 55 78 A I E 3 S- b 0 157A 0 101,-3.6 103,-0.6 -2,-0.6 105,-0.2 -0.775 75.9 -2.1 -93.3 118.1 23.3 57.8 21.7 56 79 A G T 3 S+ 0 0 1 -2,-0.6 -1,-0.2 101,-0.1 22,-0.2 0.920 71.6 173.4 72.5 46.8 26.8 56.2 21.7 57 80 A S X - 0 0 0 20,-2.9 3,-1.5 -3,-0.6 21,-0.2 0.803 12.1-177.6 -52.9 -34.8 27.5 56.8 18.0 58 81 A G T 3 - 0 0 0 19,-0.6 -1,-0.2 1,-0.2 29,-0.2 -0.407 64.4 -38.9 58.7-142.3 31.1 55.6 18.3 59 82 A P T 3 S+ 0 0 2 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.029 115.4 100.0 -99.5 26.8 32.8 55.9 14.9 60 83 A T < + 0 0 0 -3,-1.5 27,-0.1 1,-0.1 40,-0.0 -0.880 38.2 174.0-123.3 150.0 29.8 54.8 12.9 61 84 A V > + 0 0 0 -2,-0.3 3,-2.6 2,-0.1 4,-0.3 0.518 59.3 96.8-121.4 -15.7 27.1 56.5 10.8 62 85 A Y G > S+ 0 0 1 1,-0.3 3,-1.4 2,-0.2 4,-0.4 0.777 75.3 69.6 -51.5 -30.8 25.1 53.7 9.2 63 86 A Q G 3 S+ 0 0 1 1,-0.3 -1,-0.3 2,-0.1 -2,-0.1 0.455 103.0 42.6 -71.6 0.8 22.6 53.9 12.0 64 87 A L G <> S+ 0 0 0 -3,-2.6 4,-2.5 2,-0.1 -1,-0.3 0.331 81.5 100.2-124.0 4.8 21.3 57.2 10.7 65 88 A L T <4 S+ 0 0 0 -3,-1.4 4,-0.3 -4,-0.3 -2,-0.1 0.927 96.9 30.2 -62.1 -46.7 21.2 56.6 6.9 66 89 A S T >4 S+ 0 0 6 -4,-0.4 3,-0.6 1,-0.2 -1,-0.2 0.780 118.6 60.2 -78.5 -27.9 17.5 55.9 6.9 67 90 A A G >4 S+ 0 0 1 1,-0.2 3,-2.4 2,-0.1 4,-0.4 0.871 87.3 73.1 -65.5 -38.2 17.0 58.3 9.8 68 91 A C G >< S+ 0 0 0 -4,-2.5 3,-0.5 1,-0.3 -1,-0.2 0.668 88.6 57.7 -62.8 -22.3 18.4 61.4 8.1 69 92 A S G < S+ 0 0 35 -3,-0.6 -1,-0.3 -4,-0.3 -2,-0.1 0.397 107.4 50.3 -87.6 4.5 15.5 62.1 5.7 70 93 A H G < S+ 0 0 47 -3,-2.4 -21,-0.8 1,-0.2 2,-0.4 0.384 109.0 50.7-116.8 -1.4 13.0 62.3 8.6 71 94 A F < - 0 0 0 -3,-0.5 -1,-0.2 -4,-0.4 -21,-0.2 -0.943 52.7-167.5-147.1 120.0 14.9 64.8 10.9 72 95 A E S S+ 0 0 102 -2,-0.4 2,-0.5 -23,-0.3 -21,-0.2 0.759 83.9 49.7 -78.2 -26.5 16.4 68.1 10.0 73 96 A D E S+a 51 0A 16 -23,-2.3 -21,-2.3 55,-0.1 2,-0.4 -0.953 70.3 178.1-120.0 114.6 18.4 68.5 13.2 74 97 A I E -ac 52 128A 0 53,-2.7 55,-1.9 -2,-0.5 56,-1.1 -0.951 13.0-163.5-121.3 133.5 20.6 65.6 14.2 75 98 A T E -ac 53 130A 1 -23,-2.5 -21,-3.0 -2,-0.4 2,-0.3 -0.964 6.8-164.2-112.7 124.7 23.0 65.2 17.2 76 99 A M E -ac 54 131A 1 54,-2.5 56,-2.9 -2,-0.5 2,-0.3 -0.804 14.7-174.5-103.1 152.4 25.6 62.5 17.2 77 100 A T E + c 0 132A 0 -23,-0.7 -20,-2.9 -2,-0.3 -19,-0.6 -0.986 16.3 166.6-145.9 152.2 27.3 61.6 20.5 78 101 A D E - c 0 133A 0 54,-1.9 56,-0.6 -2,-0.3 6,-0.1 -0.961 36.0-131.7-159.1 159.9 30.0 59.5 22.1 79 102 A F S S+ 0 0 73 -2,-0.3 2,-0.4 54,-0.2 -1,-0.1 0.842 89.3 73.0 -74.0 -36.3 31.9 59.2 25.3 80 103 A L > - 0 0 9 1,-0.1 4,-1.6 -3,-0.1 3,-0.2 -0.685 67.4-150.0 -92.0 132.0 35.3 59.0 23.6 81 104 A E H > S+ 0 0 110 -2,-0.4 4,-2.3 1,-0.2 5,-0.2 0.903 99.1 58.5 -55.4 -47.7 37.1 61.9 22.0 82 105 A V H > S+ 0 0 57 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.860 105.7 49.6 -57.0 -38.0 38.8 59.6 19.4 83 106 A N H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.889 109.3 51.0 -66.3 -40.5 35.4 58.4 18.2 84 107 A R H X S+ 0 0 47 -4,-1.6 4,-2.1 1,-0.2 -2,-0.2 0.857 110.6 50.5 -65.0 -34.3 34.1 62.0 17.9 85 108 A Q H X S+ 0 0 89 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.903 108.5 50.9 -67.4 -42.9 37.3 62.7 15.8 86 109 A E H X S+ 0 0 10 -4,-2.1 4,-1.1 1,-0.2 12,-0.3 0.882 110.8 49.4 -63.8 -38.9 36.7 59.7 13.6 87 110 A L H >X S+ 0 0 1 -4,-2.2 4,-2.8 1,-0.2 3,-0.8 0.932 107.6 54.6 -61.6 -46.9 33.1 61.0 13.0 88 111 A G H 3X S+ 0 0 18 -4,-2.1 4,-2.0 1,-0.3 6,-0.3 0.864 101.3 59.5 -56.2 -38.9 34.4 64.4 12.2 89 112 A R H 3<>S+ 0 0 68 -4,-2.0 5,-2.4 1,-0.2 -1,-0.3 0.847 112.8 37.8 -60.4 -35.3 36.7 62.9 9.6 90 113 A W H X<5S+ 0 0 7 -4,-1.1 3,-1.3 -3,-0.8 -2,-0.2 0.884 114.1 53.1 -82.6 -42.0 33.6 61.5 7.7 91 114 A L H 3<5S+ 0 0 19 -4,-2.8 -2,-0.2 1,-0.3 -3,-0.2 0.824 118.2 38.1 -61.8 -31.0 31.3 64.4 8.3 92 115 A Q T 3<5S- 0 0 128 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.210 108.1-122.4-105.0 11.2 33.9 66.8 6.9 93 116 A E T < 5 + 0 0 145 -3,-1.3 -3,-0.2 1,-0.1 -4,-0.1 0.842 55.3 166.4 46.9 40.3 35.1 64.5 4.1 94 117 A E > < - 0 0 92 -5,-2.4 3,-1.1 -6,-0.3 -1,-0.1 -0.228 42.8 -68.1 -79.2 170.8 38.6 64.8 5.6 95 118 A P T 3 S+ 0 0 118 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 -0.313 115.5 12.8 -63.2 138.8 41.6 62.5 4.8 96 119 A G T 3 S+ 0 0 58 1,-0.2 2,-0.1 -3,-0.1 -6,-0.1 0.739 84.3 162.3 69.3 23.2 41.5 58.9 5.9 97 120 A A < - 0 0 30 -3,-1.1 -1,-0.2 -8,-0.2 -10,-0.1 -0.436 48.5 -97.3 -67.5 147.7 37.8 59.0 6.8 98 121 A F - 0 0 33 -12,-0.3 2,-0.8 -2,-0.1 -1,-0.1 -0.353 37.7-118.5 -62.6 150.3 36.2 55.6 7.0 99 122 A N + 0 0 103 1,-0.1 3,-0.3 -3,-0.1 4,-0.1 -0.830 41.3 163.4-100.4 106.1 34.4 54.5 3.8 100 123 A W >> + 0 0 2 -2,-0.8 4,-1.9 1,-0.2 3,-1.8 0.406 41.5 111.0 -97.9 0.5 30.6 54.1 4.5 101 124 A S H 3> S+ 0 0 14 1,-0.3 4,-2.9 2,-0.2 5,-0.2 0.805 72.4 57.8 -51.4 -40.0 29.6 54.1 0.8 102 125 A M H 3> S+ 0 0 61 -3,-0.3 4,-2.0 1,-0.2 -1,-0.3 0.860 110.4 44.8 -56.8 -38.0 28.6 50.5 0.7 103 126 A Y H <> S+ 0 0 7 -3,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.872 111.1 51.8 -75.2 -41.8 26.2 51.1 3.5 104 127 A S H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.924 111.2 49.9 -56.8 -45.9 24.8 54.3 2.0 105 128 A Q H X S+ 0 0 6 -4,-2.9 4,-2.8 -5,-0.2 -2,-0.2 0.946 111.2 47.3 -59.6 -49.4 24.3 52.3 -1.2 106 129 A H H X S+ 0 0 13 -4,-2.0 4,-3.4 2,-0.2 5,-0.2 0.883 109.9 52.4 -65.3 -36.8 22.5 49.5 0.6 107 130 A A H X S+ 0 0 0 -4,-2.6 4,-2.9 2,-0.2 -1,-0.2 0.937 111.4 47.5 -61.1 -46.5 20.2 51.9 2.5 108 131 A C H X>S+ 0 0 1 -4,-2.5 4,-1.7 2,-0.2 5,-0.6 0.919 113.3 49.8 -56.4 -44.8 19.3 53.5 -0.8 109 132 A L H <5S+ 0 0 18 -4,-2.8 -2,-0.2 1,-0.2 3,-0.2 0.957 114.5 42.3 -58.4 -55.3 18.7 50.0 -2.2 110 133 A I H <5S+ 0 0 55 -4,-3.4 -2,-0.2 1,-0.2 -1,-0.2 0.897 110.8 55.8 -60.0 -43.4 16.5 48.9 0.7 111 134 A E H <5S- 0 0 34 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.853 90.1-154.9 -65.2 -33.0 14.6 52.2 0.8 112 135 A G T <5 + 0 0 55 -4,-1.7 -3,-0.1 -5,-0.2 -4,-0.1 0.819 53.4 124.7 67.1 33.8 13.6 51.8 -2.8 113 136 A K S > - 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