==== 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 3KQT . 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) . 20357.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 366 69.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 47 8.9 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 . 30 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 60 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 147 27.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.1 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 3 6 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 2 3 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 91 0, 0.0 3,-2.2 0, 0.0 4,-0.3 0.000 360.0 360.0 360.0 -40.1 34.2 52.7 31.9 2 25 A S G > + 0 0 105 1,-0.3 3,-1.6 2,-0.2 4,-0.2 0.800 360.0 67.2 -50.6 -31.9 38.0 53.0 32.2 3 26 A A G > S+ 0 0 44 1,-0.3 3,-1.8 2,-0.2 4,-0.3 0.855 88.8 65.1 -57.4 -35.1 38.2 50.1 29.8 4 27 A Y G X S+ 0 0 11 -3,-2.2 3,-0.6 1,-0.3 -1,-0.3 0.617 82.9 76.4 -66.3 -11.6 36.7 52.4 27.1 5 28 A Q G < S+ 0 0 134 -3,-1.6 -1,-0.3 -4,-0.3 -2,-0.2 0.606 96.7 47.2 -74.7 -11.1 39.9 54.5 27.2 6 29 A R G < S+ 0 0 178 -3,-1.8 198,-0.6 -4,-0.2 197,-0.6 0.482 83.0 128.2-102.5 -9.1 41.7 51.8 25.2 7 30 A F B < -A 202 0A 8 -3,-0.6 195,-0.2 -4,-0.3 75,-0.1 -0.283 46.8-154.9 -53.6 117.0 38.9 51.5 22.7 8 31 A E > - 0 0 77 193,-1.8 4,-2.2 1,-0.2 3,-0.4 -0.864 5.4-156.7-101.0 111.8 40.2 51.8 19.1 9 32 A P H > S+ 0 0 14 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.888 92.4 51.7 -50.5 -46.6 37.6 53.0 16.6 10 33 A R H > S+ 0 0 116 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.874 110.8 47.5 -63.9 -37.2 39.4 51.5 13.5 11 34 A A H > S+ 0 0 17 -3,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.874 112.7 50.0 -70.2 -36.2 39.6 48.1 15.2 12 35 A Y H X S+ 0 0 8 -4,-2.2 4,-1.5 2,-0.2 5,-0.3 0.942 112.5 46.1 -65.4 -48.4 35.9 48.3 16.2 13 36 A L H X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 5,-0.3 0.905 113.9 49.1 -59.4 -44.9 34.9 49.3 12.6 14 37 A R H X S+ 0 0 183 -4,-2.4 4,-0.7 -5,-0.2 -1,-0.2 0.906 111.7 49.9 -61.7 -42.6 37.0 46.5 11.1 15 38 A N H < S+ 0 0 26 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.755 127.7 19.0 -67.1 -29.2 35.6 43.9 13.6 16 39 A N H < S+ 0 0 20 -4,-1.5 -2,-0.2 -3,-0.2 -3,-0.2 0.614 128.5 37.7-122.4 -18.4 31.9 44.7 12.9 17 40 A Y H < S+ 0 0 9 -4,-2.8 -3,-0.2 -5,-0.3 -2,-0.1 0.243 99.8 73.5-130.4 12.3 31.5 46.6 9.7 18 41 A A S >X S- 0 0 28 -4,-0.7 4,-1.4 -5,-0.3 3,-0.5 -0.833 93.4 -27.5-113.7 159.9 34.0 45.0 7.3 19 42 A P T 34 S+ 0 0 100 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 -0.099 122.7 22.5 -46.2 147.5 33.5 41.5 5.9 20 43 A P T >4 S+ 0 0 65 0, 0.0 3,-1.7 0, 0.0 219,-0.1 -0.934 138.7 30.3 -81.6 -24.5 32.1 39.2 6.7 21 44 A R T <4 S+ 0 0 14 -3,-0.5 10,-0.4 1,-0.3 -5,-0.1 0.761 126.8 48.2 -62.4 -25.2 29.7 41.1 9.1 22 45 A G T 3< S+ 0 0 6 -4,-1.4 2,-0.7 -8,-0.2 -1,-0.3 0.268 80.6 107.5-101.1 9.4 30.0 44.1 6.7 23 46 A D < - 0 0 68 -3,-1.7 3,-0.3 -5,-0.3 8,-0.3 -0.805 45.3-175.4 -84.0 119.5 29.4 42.3 3.4 24 47 A L + 0 0 10 -2,-0.7 -1,-0.1 1,-0.2 5,-0.1 0.404 61.2 89.6 -99.4 3.3 25.9 43.4 2.4 25 48 A a S S+ 0 0 16 1,-0.1 359,-0.3 358,-0.1 -1,-0.2 0.881 73.6 74.3 -68.0 -39.4 25.6 41.1 -0.7 26 49 A N S > S- 0 0 62 -3,-0.3 3,-1.7 1,-0.2 5,-0.1 -0.693 70.7-156.6 -79.8 116.0 24.1 38.3 1.3 27 50 A P T 3 S+ 0 0 72 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.705 91.7 60.1 -65.1 -23.4 20.5 39.2 2.2 28 51 A N T 3 S+ 0 0 133 4,-0.1 2,-0.1 5,-0.0 -2,-0.1 0.428 86.0 107.6 -85.3 1.2 20.5 36.7 5.1 29 52 A G S <> S- 0 0 6 -3,-1.7 4,-1.8 1,-0.1 -8,-0.1 -0.315 81.5-114.2 -78.6 164.0 23.4 38.6 6.7 30 53 A V H > S+ 0 0 7 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.816 110.3 59.7 -68.5 -33.6 23.1 40.9 9.8 31 54 A G H > S+ 0 0 1 -10,-0.4 4,-2.2 -8,-0.3 5,-0.2 0.956 108.5 42.9 -61.1 -53.2 23.9 44.1 8.0 32 55 A P H > S+ 0 0 0 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.904 112.1 56.1 -57.3 -43.5 21.0 43.8 5.6 33 56 A W H X S+ 0 0 31 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.937 109.2 45.2 -56.1 -48.0 18.7 42.7 8.5 34 57 A K H X S+ 0 0 7 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.944 114.6 46.8 -61.5 -49.0 19.5 45.9 10.6 35 58 A L H X S+ 0 0 2 -4,-2.2 4,-2.8 1,-0.2 -1,-0.2 0.857 111.6 53.1 -61.5 -35.2 19.1 48.3 7.7 36 59 A R H X S+ 0 0 69 -4,-2.4 4,-2.4 -5,-0.2 5,-0.2 0.871 107.1 51.1 -69.5 -38.1 15.9 46.5 6.8 37 60 A C H X S+ 0 0 0 -4,-2.1 4,-1.7 -5,-0.2 -2,-0.2 0.935 114.4 43.3 -62.8 -46.9 14.5 46.9 10.3 38 61 A L H X S+ 0 0 4 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.955 115.4 48.5 -65.4 -49.3 15.3 50.6 10.3 39 62 A A H X S+ 0 0 8 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.936 111.4 48.0 -55.4 -55.6 14.0 51.2 6.7 40 63 A Q H X S+ 0 0 83 -4,-2.4 4,-0.7 1,-0.2 -1,-0.2 0.865 109.9 54.3 -55.4 -39.0 10.7 49.4 7.2 41 64 A T H >< S+ 0 0 3 -4,-1.7 3,-0.7 -5,-0.2 5,-0.5 0.917 111.6 42.9 -65.1 -43.4 10.1 51.3 10.4 42 65 A F H >< S+ 0 0 3 -4,-2.0 3,-1.6 1,-0.2 -1,-0.2 0.778 103.9 66.1 -72.6 -26.1 10.5 54.7 8.8 43 66 A A H 3< S+ 0 0 86 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.688 86.3 71.1 -72.6 -14.5 8.5 53.7 5.8 44 67 A T T << S- 0 0 65 -3,-0.7 -1,-0.3 -4,-0.7 -2,-0.2 0.687 98.3-138.6 -68.9 -18.6 5.4 53.4 8.0 45 68 A G S < S+ 0 0 48 -3,-1.6 -2,-0.1 -4,-0.2 -3,-0.1 0.595 76.3 108.1 68.8 11.8 5.5 57.2 8.2 46 69 A E + 0 0 98 -5,-0.5 2,-0.8 1,-0.1 -4,-0.1 0.606 62.7 70.1 -93.0 -14.4 4.7 57.0 11.9 47 70 A V S S+ 0 0 1 -6,-0.3 2,-0.3 -5,-0.2 -2,-0.2 -0.885 74.3 123.1-106.7 104.4 8.2 58.0 13.1 48 71 A S + 0 0 60 -2,-0.8 2,-0.3 105,-0.2 139,-0.1 -0.916 12.7 110.3-154.9 171.3 8.5 61.6 12.1 49 72 A G - 0 0 41 21,-0.7 23,-0.4 -2,-0.3 3,-0.1 -0.976 66.6 -75.8 146.7-158.8 9.2 65.1 13.5 50 73 A R S S+ 0 0 123 -2,-0.3 23,-1.9 1,-0.2 2,-0.3 0.759 99.1 39.9-110.8 -36.1 11.9 67.7 13.3 51 74 A T E -b 73 0B 5 21,-0.2 102,-1.5 20,-0.1 103,-0.8 -0.916 54.1-179.3-126.8 149.3 14.8 66.6 15.6 52 75 A L E -bc 74 154B 0 21,-2.5 23,-2.6 -2,-0.3 2,-0.4 -0.993 11.6-154.0-142.4 144.6 16.5 63.3 16.4 53 76 A I E -bc 75 155B 1 101,-1.9 103,-2.3 -2,-0.3 2,-0.6 -0.988 7.4-150.9-123.7 128.9 19.3 62.2 18.7 54 77 A D E -bc 76 156B 0 21,-2.9 23,-0.7 -2,-0.4 2,-0.6 -0.874 18.8-144.4 -96.3 123.5 21.5 59.2 18.1 55 78 A I E S- c 0 157B 0 101,-3.4 103,-0.6 -2,-0.6 106,-0.1 -0.785 73.7 -6.2 -96.8 120.7 22.8 57.7 21.4 56 79 A G S S+ 0 0 1 -2,-0.6 -1,-0.2 101,-0.1 22,-0.2 0.949 73.1 175.5 65.2 49.6 26.3 56.3 21.6 57 80 A S > - 0 0 0 20,-2.8 3,-1.7 -3,-0.5 21,-0.2 0.743 11.1-174.2 -57.2 -28.0 26.9 56.6 17.9 58 81 A G T 3 - 0 0 0 19,-0.6 -1,-0.2 1,-0.2 29,-0.1 -0.363 63.1 -40.6 56.7-143.0 30.5 55.4 18.2 59 82 A P T 3 S+ 0 0 3 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.015 114.7 102.3 -99.3 25.7 32.3 55.8 14.8 60 83 A T < + 0 0 0 -3,-1.7 27,-0.0 1,-0.1 40,-0.0 -0.855 38.3 173.9-120.8 149.8 29.3 54.5 12.8 61 84 A V > + 0 0 1 -2,-0.3 3,-2.2 2,-0.1 4,-0.3 0.417 59.5 97.0-125.4 -6.4 26.6 56.2 10.7 62 85 A Y G > S+ 0 0 1 1,-0.3 3,-1.2 2,-0.2 4,-0.4 0.799 76.4 67.4 -59.1 -29.0 24.7 53.2 9.2 63 86 A Q G 3 S+ 0 0 1 1,-0.2 -1,-0.3 -6,-0.1 4,-0.2 0.603 104.3 42.8 -69.9 -10.5 22.1 53.6 12.0 64 87 A L G <> S+ 0 0 0 -3,-2.2 4,-2.8 2,-0.1 -1,-0.2 0.391 81.5 101.7-113.2 2.4 20.9 56.9 10.6 65 88 A L T <4 S+ 0 0 0 -3,-1.2 4,-0.2 -4,-0.3 -2,-0.1 0.890 95.4 29.6 -61.3 -44.3 20.9 56.1 6.8 66 89 A S T >4 S+ 0 0 4 -4,-0.4 3,-0.8 1,-0.1 -1,-0.2 0.791 118.9 59.3 -80.4 -30.3 17.1 55.6 6.6 67 90 A A G >> S+ 0 0 0 1,-0.2 3,-3.0 -4,-0.2 4,-0.6 0.897 86.4 74.3 -65.4 -41.5 16.5 58.1 9.4 68 91 A C G 3< S+ 0 0 0 -4,-2.8 3,-0.3 1,-0.3 -1,-0.2 0.654 89.2 58.8 -56.6 -19.5 18.1 61.1 7.9 69 92 A S G <4 S+ 0 0 32 -3,-0.8 -1,-0.3 -4,-0.2 -2,-0.1 0.473 107.8 46.6 -89.0 0.1 15.3 61.7 5.4 70 93 A H T <4 S+ 0 0 49 -3,-3.0 -21,-0.7 1,-0.2 2,-0.4 0.444 108.9 55.1-114.6 -7.1 12.7 62.1 8.1 71 94 A F < - 0 0 0 -4,-0.6 -1,-0.2 -3,-0.3 -21,-0.2 -0.936 54.1-168.1-139.5 114.6 14.6 64.5 10.5 72 95 A E S S+ 0 0 104 -2,-0.4 2,-0.5 -23,-0.4 -21,-0.2 0.694 83.0 48.6 -75.8 -19.8 16.0 67.8 9.5 73 96 A D E +b 51 0B 15 -23,-1.9 -21,-2.5 55,-0.1 2,-0.5 -0.937 69.6 178.0-127.3 109.1 18.0 68.2 12.7 74 97 A I E -bd 52 128B 0 53,-2.7 55,-1.7 -2,-0.5 56,-1.2 -0.930 11.9-164.3-115.9 131.4 20.2 65.3 13.8 75 98 A T E -bd 53 130B 1 -23,-2.6 -21,-2.9 -2,-0.5 2,-0.3 -0.961 8.4-162.4-110.9 123.5 22.5 65.2 16.8 76 99 A M E -bd 54 131B 0 54,-2.6 56,-2.9 -2,-0.5 2,-0.3 -0.785 13.3-171.8-102.9 153.6 25.0 62.4 17.0 77 100 A T E + d 0 132B 0 -23,-0.7 -20,-2.8 -2,-0.3 -19,-0.6 -0.966 16.1 166.1-142.6 151.6 26.7 61.5 20.3 78 101 A D E - d 0 133B 0 54,-1.8 56,-0.7 -2,-0.3 6,-0.1 -0.945 35.9-131.9-160.6 160.3 29.4 59.4 22.0 79 102 A F S S+ 0 0 68 -2,-0.3 2,-0.4 54,-0.2 -1,-0.1 0.861 88.6 72.4 -71.4 -37.7 31.3 59.1 25.2 80 103 A L > - 0 0 6 1,-0.1 4,-1.8 -3,-0.1 5,-0.1 -0.663 66.6-149.8 -92.9 133.1 34.7 59.0 23.6 81 104 A E H > S+ 0 0 98 -2,-0.4 4,-2.2 1,-0.2 5,-0.2 0.908 100.7 58.4 -54.8 -47.1 36.6 61.8 21.9 82 105 A V H > S+ 0 0 59 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.872 106.0 49.1 -58.4 -36.4 38.2 59.4 19.5 83 106 A N H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.920 108.6 51.8 -67.6 -42.6 34.8 58.3 18.3 84 107 A R H X S+ 0 0 47 -4,-1.8 4,-2.0 1,-0.2 -2,-0.2 0.853 110.7 50.0 -62.2 -33.9 33.6 61.8 17.8 85 108 A Q H X S+ 0 0 87 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.918 107.3 52.4 -69.1 -45.1 36.7 62.5 15.7 86 109 A E H X S+ 0 0 8 -4,-2.1 4,-1.2 1,-0.2 12,-0.3 0.895 110.2 49.8 -58.7 -38.6 36.2 59.4 13.5 87 110 A L H >X S+ 0 0 1 -4,-2.3 4,-3.1 2,-0.2 3,-0.6 0.941 107.9 54.4 -61.3 -47.0 32.7 60.7 12.9 88 111 A G H 3X S+ 0 0 18 -4,-2.0 4,-2.8 1,-0.3 6,-0.3 0.910 102.5 56.2 -52.9 -48.5 34.1 64.1 12.0 89 112 A R H 3<>S+ 0 0 66 -4,-2.5 5,-2.1 1,-0.2 -1,-0.3 0.844 114.3 39.9 -54.4 -36.6 36.4 62.5 9.4 90 113 A W H X<5S+ 0 0 7 -4,-1.2 3,-0.8 -3,-0.6 -2,-0.2 0.891 115.1 50.0 -80.7 -41.5 33.4 61.0 7.7 91 114 A L H 3<5S+ 0 0 18 -4,-3.1 -2,-0.2 1,-0.2 -3,-0.2 0.839 119.0 38.6 -65.2 -32.2 31.0 63.9 8.0 92 115 A Q T 3<5S- 0 0 131 -4,-2.8 -1,-0.2 -5,-0.3 -2,-0.2 0.358 108.5-122.8 -98.9 2.5 33.6 66.3 6.6 93 116 A E T < 5 + 0 0 138 -3,-0.8 -3,-0.2 -5,-0.2 -4,-0.1 0.846 52.8 168.3 55.5 37.8 34.9 63.8 4.0 94 117 A E > < - 0 0 85 -5,-2.1 3,-1.0 -6,-0.3 -1,-0.1 -0.264 44.3 -70.5 -75.7 165.4 38.4 64.2 5.5 95 118 A P T 3 S+ 0 0 122 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 -0.267 117.0 16.9 -59.6 140.6 41.3 61.8 4.6 96 119 A G T 3 S+ 0 0 58 1,-0.2 2,-0.1 -3,-0.1 -6,-0.1 0.774 83.1 159.2 69.9 27.3 41.0 58.2 5.9 97 120 A A < - 0 0 31 -3,-1.0 -1,-0.2 -8,-0.2 2,-0.1 -0.436 50.9 -94.0 -70.9 155.9 37.3 58.4 6.7 98 121 A F - 0 0 29 -12,-0.3 2,-1.0 -39,-0.1 -1,-0.1 -0.465 35.9-119.3 -70.1 145.2 35.6 55.0 6.9 99 122 A N + 0 0 97 1,-0.2 3,-0.3 -2,-0.1 4,-0.1 -0.764 41.8 163.1 -91.2 101.8 33.9 53.9 3.7 100 123 A W >> + 0 0 2 -2,-1.0 4,-2.1 1,-0.2 3,-1.3 0.361 41.9 108.8 -94.6 2.6 30.2 53.5 4.5 101 124 A S H 3> S+ 0 0 11 1,-0.3 4,-3.4 2,-0.2 5,-0.3 0.816 70.7 58.5 -60.0 -35.3 29.1 53.5 0.8 102 125 A M H 3> S+ 0 0 59 -3,-0.3 4,-2.0 1,-0.2 -1,-0.3 0.885 111.5 44.3 -57.3 -36.9 28.2 49.7 0.8 103 126 A Y H <> S+ 0 0 4 -3,-1.3 4,-2.5 2,-0.2 -2,-0.2 0.880 113.2 49.7 -75.7 -40.0 25.7 50.5 3.6 104 127 A S H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 5,-0.2 0.947 112.6 48.3 -61.1 -48.5 24.5 53.7 1.9 105 128 A Q H X S+ 0 0 15 -4,-3.4 4,-2.7 1,-0.2 -2,-0.2 0.937 112.6 47.8 -55.9 -48.9 24.0 51.8 -1.4 106 129 A H H X S+ 0 0 16 -4,-2.0 4,-2.8 -5,-0.3 -1,-0.2 0.868 109.9 52.5 -67.7 -33.3 22.1 49.0 0.5 107 130 A A H X S+ 0 0 1 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.928 111.0 47.3 -64.0 -44.5 19.9 51.5 2.3 108 131 A C H X>S+ 0 0 2 -4,-2.5 4,-1.7 2,-0.2 5,-0.5 0.908 112.4 51.0 -61.5 -42.7 19.0 53.1 -1.1 109 132 A L H <5S+ 0 0 18 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.960 113.4 43.6 -56.7 -54.8 18.4 49.6 -2.5 110 133 A I H <5S+ 0 0 47 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.884 109.4 56.1 -59.4 -43.3 16.1 48.6 0.4 111 134 A E H <5S- 0 0 35 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.876 91.0-151.6 -65.9 -35.6 14.2 51.9 0.5 112 135 A G T <5 + 0 0 58 -4,-1.7 -3,-0.1 -5,-0.2 -1,-0.1 0.783 57.0 121.5 76.4 28.8 13.2 51.6 -3.1 113 136 A K S > - 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