==== 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 19-DEC-06 2OBF . COMPND 2 MOLECULE: PHENYLETHANOLAMINE N-METHYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR N.DRINKWATER,J.L.MARTIN . 528 4 2 0 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20553.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 373 70.6 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 . 35 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 65 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 142 26.9 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 1 0 0 0 1 1 4 5 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 91 0, 0.0 3,-1.2 0, 0.0 4,-0.0 0.000 360.0 360.0 360.0 -66.9 34.7 52.0 32.0 2 25 A S G > + 0 0 104 1,-0.3 3,-1.1 2,-0.2 4,-0.2 0.627 360.0 71.6 -71.7 -13.3 38.5 52.7 32.2 3 26 A A G > S+ 0 0 34 1,-0.3 3,-1.6 2,-0.2 4,-0.3 0.771 82.8 69.4 -71.7 -26.1 38.8 49.9 29.7 4 27 A Y G < S+ 0 0 7 -3,-1.2 -1,-0.3 1,-0.3 -2,-0.2 0.482 82.0 76.2 -71.2 -0.1 37.3 52.3 27.1 5 28 A Q G < S+ 0 0 136 -3,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.702 96.3 44.2 -83.0 -19.9 40.5 54.3 27.3 6 29 A R S < S+ 0 0 154 -3,-1.6 197,-0.6 -4,-0.2 198,-0.6 0.400 84.3 132.7 -99.8 -2.4 42.3 51.7 25.2 7 30 A F B -A 202 0A 8 -4,-0.3 195,-0.2 196,-0.2 75,-0.1 -0.347 43.7-157.0 -56.5 112.7 39.4 51.5 22.8 8 31 A E >> - 0 0 74 193,-2.3 4,-2.6 -2,-0.3 3,-0.5 -0.847 6.8-158.4 -99.3 108.6 40.7 51.7 19.2 9 32 A P H 3> S+ 0 0 15 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.865 93.1 51.9 -50.6 -43.9 38.0 52.9 16.7 10 33 A R H 3> S+ 0 0 116 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.868 111.4 46.4 -64.8 -36.8 39.8 51.4 13.7 11 34 A A H <> S+ 0 0 14 -3,-0.5 4,-1.7 2,-0.2 191,-0.2 0.893 112.0 51.7 -71.8 -39.1 40.1 48.0 15.4 12 35 A Y H X S+ 0 0 9 -4,-2.6 4,-1.5 189,-0.2 5,-0.3 0.927 109.9 50.9 -60.9 -44.4 36.4 48.2 16.4 13 36 A L H X S+ 0 0 0 -4,-2.6 4,-2.9 1,-0.2 5,-0.4 0.874 111.8 43.1 -62.7 -44.2 35.4 49.0 12.8 14 37 A R H < S+ 0 0 181 -4,-1.8 4,-0.4 1,-0.2 -1,-0.2 0.793 111.6 56.4 -75.7 -24.7 37.3 46.2 11.1 15 38 A N H < S+ 0 0 27 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.829 128.1 13.0 -72.3 -31.5 36.1 43.7 13.8 16 39 A N H < S+ 0 0 24 -4,-1.5 -2,-0.2 -5,-0.2 -3,-0.2 0.689 131.0 37.1-119.8 -26.4 32.5 44.5 13.1 17 40 A Y S < S+ 0 0 22 -4,-2.9 -3,-0.2 -5,-0.3 -4,-0.1 0.345 101.0 72.1-116.6 8.7 31.8 46.5 9.9 18 41 A A S >> S- 0 0 26 -4,-0.4 4,-1.3 -5,-0.4 3,-0.5 -0.764 93.8 -24.5-114.6 162.6 34.3 45.0 7.5 19 42 A P T 34 S+ 0 0 107 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 -0.124 122.1 19.5 -47.7 143.6 34.1 41.5 6.0 20 43 A P T >4 S+ 0 0 60 0, 0.0 3,-1.1 0, 0.0 219,-0.1 -0.963 137.2 32.1 -84.2 -24.8 32.7 39.1 6.9 21 44 A R T <4 S+ 0 0 13 -3,-0.5 10,-0.4 1,-0.3 9,-0.1 0.750 122.4 53.2 -62.6 -22.6 30.3 40.8 9.3 22 45 A G T 3< S+ 0 0 8 -4,-1.3 -1,-0.3 -8,-0.1 -5,-0.1 0.637 76.7 117.9 -88.1 -16.3 30.3 43.8 7.0 23 46 A D < - 0 0 70 -3,-1.1 8,-0.4 -5,-0.2 -5,-0.0 -0.269 36.1-179.8 -55.1 132.7 29.3 42.0 3.8 24 47 A L + 0 0 14 7,-0.1 -1,-0.2 6,-0.1 5,-0.1 0.448 62.1 82.8-113.1 -5.4 26.0 43.3 2.6 25 48 A a S S+ 0 0 19 358,-0.1 359,-0.2 2,-0.0 -1,-0.1 0.936 77.6 69.9 -66.7 -47.8 25.7 41.2 -0.6 26 49 A N S > S- 0 0 81 1,-0.2 3,-1.6 357,-0.1 357,-0.0 -0.617 75.4-148.1 -74.5 123.5 24.2 38.1 1.1 27 50 A P T 3 S+ 0 0 84 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.678 93.7 64.4 -64.7 -18.0 20.7 38.9 2.3 28 51 A N T 3 S+ 0 0 125 4,-0.1 -2,-0.0 5,-0.0 -3,-0.0 0.484 80.8 104.2 -85.7 -5.0 21.2 36.5 5.2 29 52 A G S <> S- 0 0 13 -3,-1.6 4,-1.5 1,-0.1 5,-0.1 -0.218 82.1-113.7 -73.4 168.7 23.9 38.5 6.9 30 53 A V H > S+ 0 0 19 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.837 112.2 58.9 -70.7 -34.8 23.5 40.7 10.0 31 54 A G H > S+ 0 0 10 -10,-0.4 4,-2.3 -8,-0.4 5,-0.3 0.976 107.3 44.3 -59.8 -58.0 24.2 43.9 8.1 32 55 A P H > S+ 0 0 0 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.908 114.1 51.9 -53.1 -44.1 21.3 43.4 5.6 33 56 A W H X S+ 0 0 23 -4,-1.5 4,-2.0 1,-0.2 -2,-0.2 0.887 111.2 46.4 -59.2 -44.1 19.0 42.4 8.5 34 57 A A H X S+ 0 0 12 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.884 111.8 48.3 -69.1 -43.3 19.8 45.5 10.6 35 58 A L H X S+ 0 0 4 -4,-2.3 4,-3.0 -5,-0.2 5,-0.2 0.870 111.1 53.9 -65.2 -34.4 19.4 48.1 7.8 36 59 A R H X S+ 0 0 81 -4,-1.8 4,-3.1 -5,-0.3 5,-0.3 0.939 106.7 50.2 -63.8 -49.0 16.1 46.4 7.0 37 60 A C H X S+ 0 0 0 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.916 115.4 43.6 -56.0 -45.8 14.8 46.7 10.5 38 61 A L H X S+ 0 0 3 -4,-2.1 4,-2.1 2,-0.2 5,-0.2 0.955 115.5 47.0 -66.0 -50.1 15.8 50.4 10.5 39 62 A A H X S+ 0 0 7 -4,-3.0 4,-1.9 1,-0.2 -2,-0.2 0.911 112.5 49.2 -58.8 -47.5 14.4 51.2 7.1 40 63 A Q H X S+ 0 0 79 -4,-3.1 4,-0.6 -5,-0.2 -1,-0.2 0.930 109.0 52.8 -60.5 -46.4 11.1 49.4 7.6 41 64 A T H >< S+ 0 0 3 -4,-1.9 3,-1.4 -5,-0.3 5,-0.4 0.947 113.6 41.8 -55.4 -52.5 10.5 51.1 10.9 42 65 A F H >< S+ 0 0 3 -4,-2.1 3,-1.7 1,-0.3 -1,-0.2 0.803 105.0 67.8 -65.8 -27.4 11.0 54.6 9.4 43 66 A A H 3< S+ 0 0 79 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.617 85.6 69.1 -68.3 -12.6 9.0 53.5 6.4 44 67 A T T << S- 0 0 63 -3,-1.4 -1,-0.3 -4,-0.6 -2,-0.2 0.593 100.6-135.1 -79.7 -11.4 5.8 53.3 8.5 45 68 A G S < S+ 0 0 46 -3,-1.7 -2,-0.1 -4,-0.2 -3,-0.1 0.424 79.3 106.3 72.5 -1.1 6.0 57.1 8.8 46 69 A E + 0 0 97 -5,-0.4 2,-1.1 1,-0.2 -4,-0.1 0.714 61.0 70.9 -82.9 -21.9 5.3 56.9 12.5 47 70 A V S S+ 0 0 0 -6,-0.4 2,-0.3 -5,-0.2 -1,-0.2 -0.773 77.4 126.3 -97.2 92.9 8.8 57.7 13.7 48 71 A S + 0 0 62 -2,-1.1 2,-0.3 105,-0.1 23,-0.1 -0.941 11.9 107.2-146.0 167.2 9.0 61.4 12.8 49 72 A G - 0 0 39 21,-1.1 23,-0.3 -2,-0.3 3,-0.1 -0.979 66.1 -77.7 161.5-151.1 9.7 64.9 14.1 50 73 A R S S+ 0 0 112 -2,-0.3 23,-2.8 1,-0.3 2,-0.4 0.733 100.0 42.2-115.0 -40.0 12.4 67.6 13.9 51 74 A T E +b 73 0B 5 21,-0.2 102,-1.4 20,-0.1 103,-0.8 -0.900 56.5 178.6-119.0 147.0 15.2 66.5 16.2 52 75 A L E -bc 74 154B 0 21,-2.4 23,-2.5 -2,-0.4 2,-0.4 -0.988 12.4-153.2-142.7 146.9 16.9 63.2 16.9 53 76 A I E -bc 75 155B 1 101,-2.0 103,-2.4 -2,-0.3 2,-0.6 -0.988 5.8-151.5-127.7 130.6 19.7 62.1 19.1 54 77 A D E > -bc 76 156B 0 21,-3.0 23,-0.8 -2,-0.4 3,-0.6 -0.896 19.4-143.8-101.6 115.3 22.0 59.1 18.5 55 78 A I E 3 S- c 0 157B 0 101,-3.2 103,-0.6 -2,-0.6 105,-0.2 -0.699 74.7 -9.1 -85.5 120.6 23.3 57.7 21.9 56 79 A G T 3 S+ 0 0 2 -2,-0.5 -1,-0.2 101,-0.1 22,-0.2 0.956 72.4 178.4 59.7 54.8 26.9 56.4 21.9 57 80 A S X - 0 0 0 20,-2.2 3,-1.7 -3,-0.6 21,-0.2 0.700 11.8-171.5 -60.3 -24.2 27.4 56.6 18.2 58 81 A G T 3 - 0 0 0 19,-0.6 -1,-0.2 1,-0.2 29,-0.2 -0.366 61.5 -41.2 60.3-143.0 30.9 55.4 18.5 59 82 A P T 3 S+ 0 0 2 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.039 113.8 101.2-106.5 31.1 32.7 55.7 15.1 60 83 A T < + 0 0 0 -3,-1.7 27,-0.0 1,-0.1 40,-0.0 -0.836 39.4 176.4-119.3 157.3 29.7 54.5 13.0 61 84 A V > + 0 0 0 -2,-0.3 3,-2.5 468,-0.1 4,-0.4 0.494 59.5 96.7-129.6 -14.7 27.0 56.1 10.9 62 85 A Y G > S+ 0 0 9 1,-0.3 3,-0.9 2,-0.2 4,-0.4 0.753 76.1 68.1 -51.2 -29.8 25.0 53.2 9.4 63 86 A Q G 3 S+ 0 0 2 1,-0.2 -1,-0.3 -6,-0.1 4,-0.1 0.487 104.3 43.5 -72.8 -0.7 22.4 53.5 12.2 64 87 A L G <> S+ 0 0 0 -3,-2.5 4,-3.0 3,-0.1 -1,-0.2 0.439 81.9 97.8-121.8 -2.8 21.3 56.9 10.8 65 88 A L T <4 S+ 0 0 0 -3,-0.9 4,-0.2 -4,-0.4 -2,-0.1 0.885 96.8 31.1 -54.9 -47.1 21.1 56.2 7.1 66 89 A S T 4 S+ 0 0 6 -4,-0.4 3,-0.5 1,-0.1 -1,-0.2 0.759 119.9 56.8 -83.2 -26.3 17.4 55.6 6.9 67 90 A A T >4 S+ 0 0 0 1,-0.2 3,-2.9 2,-0.1 4,-0.4 0.904 87.1 73.9 -71.8 -43.7 16.7 58.0 9.8 68 91 A C G >< S+ 0 0 0 -4,-3.0 3,-0.5 1,-0.3 -1,-0.2 0.667 89.3 60.1 -48.1 -24.4 18.3 61.1 8.4 69 92 A S G 3 S+ 0 0 33 -3,-0.5 -1,-0.3 -4,-0.2 -2,-0.1 0.451 105.0 50.4 -86.3 3.0 15.5 61.8 5.9 70 93 A H G < S+ 0 0 42 -3,-2.9 -21,-1.1 1,-0.2 2,-0.3 0.410 109.2 47.8-116.5 -2.9 12.9 62.0 8.8 71 94 A F < - 0 0 0 -3,-0.5 -1,-0.2 -4,-0.4 -21,-0.2 -0.953 54.7-164.1-144.5 122.7 14.7 64.5 11.0 72 95 A E S S+ 0 0 107 -2,-0.3 2,-0.6 -23,-0.3 -21,-0.2 0.728 84.5 54.1 -77.0 -23.4 16.3 67.9 10.1 73 96 A D E S+b 51 0B 13 -23,-2.8 -21,-2.4 55,-0.1 2,-0.5 -0.897 70.0 177.7-116.5 104.0 18.2 68.2 13.3 74 97 A I E -bd 52 128B 0 53,-3.6 55,-2.0 -2,-0.6 56,-1.1 -0.900 10.8-165.7-112.1 135.0 20.5 65.3 14.2 75 98 A T E -bd 53 130B 1 -23,-2.5 -21,-3.0 -2,-0.5 2,-0.3 -0.968 5.0-164.6-118.9 120.7 22.8 65.1 17.2 76 99 A M E -bd 54 131B 0 54,-2.8 56,-2.7 -2,-0.5 2,-0.3 -0.756 14.3-178.4-102.1 151.7 25.5 62.4 17.4 77 100 A T E + d 0 132B 0 -23,-0.8 -20,-2.2 -2,-0.3 -19,-0.6 -0.896 15.5 164.9-144.5 172.1 27.3 61.5 20.6 78 101 A D - 0 0 0 54,-1.6 56,-0.5 -2,-0.3 6,-0.1 -0.749 36.6-128.1 172.5 143.7 29.9 59.4 22.3 79 102 A F S S+ 0 0 77 54,-0.2 2,-0.4 -2,-0.2 -1,-0.1 0.907 89.2 73.1 -61.5 -48.6 31.9 59.0 25.5 80 103 A L >> - 0 0 8 1,-0.1 4,-1.8 53,-0.1 3,-0.9 -0.592 67.5-149.3 -82.6 127.1 35.3 58.8 23.8 81 104 A E H 3> S+ 0 0 98 -2,-0.4 4,-2.0 1,-0.3 5,-0.2 0.889 98.8 61.2 -54.0 -43.0 37.0 61.8 22.2 82 105 A V H 3> S+ 0 0 61 1,-0.2 4,-1.2 2,-0.2 -1,-0.3 0.804 104.5 46.4 -57.6 -33.7 38.6 59.4 19.7 83 106 A N H <> S+ 0 0 0 -3,-0.9 4,-2.1 2,-0.2 -1,-0.2 0.913 108.7 54.3 -76.6 -41.7 35.3 58.2 18.3 84 107 A R H X S+ 0 0 50 -4,-1.8 4,-1.9 1,-0.3 -2,-0.2 0.852 110.3 49.1 -58.7 -33.5 33.9 61.7 18.0 85 108 A Q H X S+ 0 0 94 -4,-2.0 4,-2.1 2,-0.2 -1,-0.3 0.828 106.2 54.7 -74.9 -32.9 36.9 62.5 16.0 86 109 A E H X S+ 0 0 8 -4,-1.2 4,-1.0 2,-0.2 12,-0.3 0.858 109.4 49.5 -68.3 -34.2 36.5 59.4 13.8 87 110 A L H >X S+ 0 0 1 -4,-2.1 4,-3.6 2,-0.2 3,-0.7 0.932 107.4 53.4 -67.7 -47.5 33.0 60.7 13.0 88 111 A G H 3X S+ 0 0 15 -4,-1.9 4,-3.7 1,-0.3 6,-0.4 0.917 102.9 58.3 -53.8 -45.6 34.2 64.2 12.2 89 112 A R H 3<>S+ 0 0 66 -4,-2.1 5,-1.7 1,-0.2 8,-0.3 0.857 114.9 36.6 -53.9 -36.8 36.6 62.7 9.7 90 113 A W H X<5S+ 0 0 8 -4,-1.0 3,-1.2 -3,-0.7 -2,-0.2 0.894 117.8 49.3 -82.8 -43.1 33.6 61.1 7.9 91 114 A L H 3<5S+ 0 0 17 -4,-3.6 -2,-0.2 1,-0.3 -3,-0.2 0.888 118.0 41.2 -61.4 -40.7 31.2 64.0 8.4 92 115 A Q T 3<5S- 0 0 125 -4,-3.7 -1,-0.3 -5,-0.3 -2,-0.2 0.264 109.0-124.5 -90.7 9.7 33.8 66.5 7.2 93 116 A E T < 5 + 0 0 143 -3,-1.2 -3,-0.2 -5,-0.2 -4,-0.1 0.790 55.0 165.1 51.0 29.5 34.9 64.1 4.4 94 117 A E > < - 0 0 89 -5,-1.7 3,-1.0 -6,-0.4 -1,-0.1 -0.122 43.7 -74.3 -70.0 169.7 38.4 64.4 5.8 95 118 A P T 3 S+ 0 0 117 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 -0.342 113.9 21.9 -67.4 147.5 41.3 62.1 5.0 96 119 A G T 3 S+ 0 0 59 1,-0.2 -6,-0.1 -3,-0.1 -7,-0.1 0.616 83.1 155.0 73.7 12.6 41.3 58.6 6.4 97 120 A A < - 0 0 32 -3,-1.0 -1,-0.2 -8,-0.3 2,-0.1 -0.393 51.9-101.2 -70.8 150.9 37.6 58.5 7.1 98 121 A F - 0 0 28 -12,-0.3 2,-0.8 -39,-0.1 -1,-0.1 -0.469 36.8-118.6 -70.0 144.3 36.0 55.1 7.2 99 122 A N + 0 0 100 1,-0.1 3,-0.2 -2,-0.1 4,-0.1 -0.779 40.6 164.1 -93.1 111.6 34.1 54.2 4.0 100 123 A W >> + 0 0 2 -2,-0.8 4,-2.2 1,-0.1 3,-1.0 0.322 41.8 111.9-103.1 4.0 30.4 53.6 4.5 101 124 A S H 3> S+ 0 0 13 1,-0.3 4,-3.0 2,-0.2 5,-0.2 0.827 74.7 55.7 -47.5 -41.8 29.4 53.9 0.9 102 125 A M H 3> S+ 0 0 73 -3,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.901 110.2 46.7 -59.3 -40.5 28.5 50.2 0.7 103 126 A Y H <> S+ 0 0 14 -3,-1.0 4,-2.3 2,-0.2 -2,-0.2 0.886 112.0 50.2 -68.3 -39.9 26.1 50.8 3.6 104 127 A S H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 5,-0.2 0.951 111.0 48.8 -61.9 -50.3 24.7 53.9 2.0 105 128 A Q H X S+ 0 0 14 -4,-3.0 4,-2.5 1,-0.2 -1,-0.2 0.871 113.0 47.8 -57.8 -40.2 24.1 52.1 -1.3 106 129 A H H X S+ 0 0 21 -4,-2.0 4,-3.1 -5,-0.2 -1,-0.2 0.875 108.8 53.7 -70.9 -36.3 22.4 49.3 0.6 107 130 A A H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.926 111.9 45.3 -62.4 -44.6 20.2 51.7 2.5 108 131 A C H X>S+ 0 0 1 -4,-2.6 4,-1.6 2,-0.2 5,-0.6 0.929 112.9 51.3 -63.7 -44.0 19.1 53.3 -0.7 109 132 A L H <5S+ 0 0 18 -4,-2.5 3,-0.3 -5,-0.2 -2,-0.2 0.952 114.4 42.5 -57.3 -51.0 18.6 49.8 -2.2 110 133 A I H <5S+ 0 0 47 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.858 111.6 54.5 -65.1 -38.5 16.4 48.7 0.8 111 134 A E H <5S- 0 0 33 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.781 90.4-154.6 -68.5 -26.3 14.5 52.0 1.0 112 135 A G T <5 + 0 0 58 -4,-1.6 -3,-0.1 -3,-0.3 -4,-0.1 0.821 54.3 123.5 55.6 39.7 13.5 51.7 -2.6 113 136 A K S > - 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