==== 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 24-JAN-07 2ONY . 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) . 20628.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 369 70.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 51 9.7 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 . 33 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 59 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 144 27.3 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 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 0 4 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 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 0 100 0, 0.0 3,-2.5 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 -51.0 34.3 52.1 32.0 2 25 A S G > + 0 0 103 1,-0.3 3,-1.9 2,-0.2 4,-0.3 0.742 360.0 73.6 -56.9 -21.2 38.0 53.0 32.2 3 26 A A G > S+ 0 0 40 1,-0.3 3,-1.8 2,-0.2 -1,-0.3 0.846 83.7 66.8 -60.7 -32.1 38.4 50.1 29.8 4 27 A Y G < S+ 0 0 10 -3,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.405 82.4 76.1 -72.0 3.8 36.8 52.4 27.2 5 28 A Q G < S+ 0 0 134 -3,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.693 98.1 43.8 -85.1 -18.9 39.9 54.6 27.4 6 29 A R S < S+ 0 0 160 -3,-1.8 198,-0.7 -4,-0.3 2,-0.5 0.316 83.6 130.8-105.2 7.7 41.8 52.0 25.3 7 30 A F - 0 0 8 196,-0.2 195,-0.2 -4,-0.2 75,-0.1 -0.480 46.6-153.5 -65.3 111.5 38.9 51.6 22.8 8 31 A E > - 0 0 80 193,-2.5 4,-2.3 -2,-0.5 3,-0.3 -0.795 5.1-157.2 -93.5 112.2 40.3 51.9 19.3 9 32 A P H > S+ 0 0 15 0, 0.0 4,-2.7 0, 0.0 5,-0.3 0.936 91.8 50.7 -52.3 -53.9 37.7 53.1 16.7 10 33 A R H > S+ 0 0 122 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.853 112.3 48.2 -54.6 -36.3 39.5 51.6 13.6 11 34 A A H > S+ 0 0 17 -3,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.890 111.1 50.6 -72.2 -38.4 39.7 48.3 15.3 12 35 A Y H X S+ 0 0 8 -4,-2.3 4,-1.3 189,-0.2 5,-0.3 0.931 112.8 45.4 -62.9 -46.7 36.1 48.4 16.4 13 36 A L H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 5,-0.3 0.822 112.3 51.6 -65.5 -35.8 34.9 49.2 12.8 14 37 A R H X S+ 0 0 179 -4,-1.7 4,-0.5 -5,-0.3 -1,-0.2 0.861 110.6 48.5 -70.2 -36.8 37.2 46.6 11.3 15 38 A N H < S+ 0 0 29 -4,-2.0 -2,-0.2 -5,-0.1 -1,-0.2 0.755 128.9 19.8 -75.1 -26.6 35.8 43.9 13.6 16 39 A N H < S+ 0 0 25 -4,-1.3 -2,-0.2 -5,-0.1 -3,-0.2 0.681 129.1 35.4-118.6 -24.8 32.2 44.7 13.0 17 40 A Y H < S+ 0 0 23 -4,-2.6 -3,-0.2 -5,-0.3 -2,-0.1 0.334 100.8 73.3-118.8 9.8 31.7 46.6 9.8 18 41 A A S X S- 0 0 28 -4,-0.5 4,-1.6 -5,-0.3 3,-0.4 -0.728 93.9 -27.2-111.9 164.1 34.3 45.2 7.5 19 42 A P T 4 S+ 0 0 108 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 -0.178 120.7 22.3 -50.9 149.8 33.9 41.7 5.9 20 43 A P T >4 S+ 0 0 62 0, 0.0 3,-1.3 0, 0.0 219,-0.1 -0.951 136.3 30.3 -86.8 -24.4 32.5 39.3 6.8 21 44 A R T 34 S+ 0 0 14 -3,-0.4 10,-0.4 1,-0.3 -5,-0.1 0.732 125.2 51.7 -62.7 -19.9 30.0 40.9 9.2 22 45 A G T 3< S+ 0 0 7 -4,-1.6 -1,-0.3 -8,-0.1 2,-0.1 0.587 78.2 113.0 -93.7 -11.7 30.1 44.0 6.9 23 46 A D < - 0 0 72 -3,-1.3 8,-0.4 -5,-0.3 3,-0.1 -0.435 42.9-174.3 -61.8 131.5 29.5 42.2 3.7 24 47 A L + 0 0 13 7,-0.1 -1,-0.2 -2,-0.1 5,-0.1 0.346 62.2 89.0-109.6 5.0 26.1 43.4 2.5 25 48 A a S S+ 0 0 18 3,-0.0 359,-0.2 358,-0.0 -1,-0.1 0.876 74.2 69.9 -71.0 -39.0 25.8 41.1 -0.5 26 49 A N S > S- 0 0 78 1,-0.2 3,-1.7 357,-0.1 5,-0.1 -0.713 73.4-148.8 -84.0 124.2 24.1 38.2 1.3 27 50 A P T 3 S+ 0 0 76 0, 0.0 6,-0.2 0, 0.0 -1,-0.2 0.860 95.2 58.5 -57.8 -36.9 20.6 39.1 2.3 28 51 A N T 3 S+ 0 0 129 4,-0.1 2,-0.1 -3,-0.1 -3,-0.0 0.279 83.3 109.9 -79.3 10.6 20.8 36.8 5.4 29 52 A G S <> S- 0 0 10 -3,-1.7 4,-1.8 1,-0.1 5,-0.1 -0.400 81.8-115.2 -81.2 165.1 23.7 38.7 6.8 30 53 A V H > S+ 0 0 19 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.832 113.4 59.8 -68.9 -31.7 23.4 40.9 9.9 31 54 A G H > S+ 0 0 8 -10,-0.4 4,-2.2 -8,-0.4 5,-0.3 0.974 108.9 40.6 -59.6 -58.1 24.2 44.0 7.8 32 55 A P H > S+ 0 0 0 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.917 115.6 52.8 -56.4 -45.1 21.2 43.6 5.5 33 56 A W H X S+ 0 0 32 -4,-1.8 4,-1.8 1,-0.2 -2,-0.2 0.929 109.9 47.4 -57.6 -49.1 18.9 42.5 8.3 34 57 A K H X S+ 0 0 8 -4,-2.6 4,-1.9 1,-0.2 3,-0.3 0.943 112.2 47.0 -60.3 -52.5 19.8 45.6 10.4 35 58 A L H X S+ 0 0 2 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.843 110.5 55.6 -59.2 -33.3 19.3 48.2 7.7 36 59 A R H X S+ 0 0 72 -4,-1.9 4,-2.5 -5,-0.3 5,-0.3 0.874 103.7 52.9 -68.7 -38.3 16.1 46.5 6.8 37 60 A C H X S+ 0 0 2 -4,-1.8 4,-1.8 -3,-0.3 -2,-0.2 0.937 114.0 43.1 -63.1 -45.8 14.7 46.9 10.3 38 61 A L H X S+ 0 0 3 -4,-1.9 4,-2.2 2,-0.2 5,-0.2 0.950 115.1 48.6 -64.7 -49.1 15.4 50.6 10.3 39 62 A A H X S+ 0 0 6 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.921 111.4 48.1 -58.1 -50.2 14.2 51.1 6.8 40 63 A Q H X S+ 0 0 93 -4,-2.5 4,-0.7 1,-0.2 -1,-0.2 0.903 110.3 53.4 -60.2 -41.0 10.9 49.3 7.2 41 64 A T H ><>S+ 0 0 8 -4,-1.8 3,-0.9 -5,-0.3 5,-0.5 0.936 112.5 42.2 -60.4 -49.1 10.2 51.1 10.5 42 65 A F H ><5S+ 0 0 3 -4,-2.2 3,-1.7 1,-0.2 -1,-0.2 0.805 104.9 64.9 -69.3 -29.3 10.6 54.6 9.0 43 66 A A H 3<5S+ 0 0 77 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.686 87.4 70.3 -67.2 -17.7 8.7 53.7 5.8 44 67 A T T <<5S- 0 0 66 -3,-0.9 -1,-0.3 -4,-0.7 -2,-0.2 0.645 100.2-139.3 -72.0 -13.7 5.6 53.2 8.0 45 68 A G T < 5S+ 0 0 45 -3,-1.7 -3,-0.1 -4,-0.2 -2,-0.1 0.613 75.1 105.7 65.8 14.9 5.8 57.0 8.3 46 69 A E < + 0 0 102 -5,-0.5 2,-1.2 1,-0.2 -4,-0.1 0.677 60.8 72.8 -96.5 -22.2 4.9 56.9 12.0 47 70 A V S S+ 0 0 0 -6,-0.4 2,-0.3 -5,-0.1 -1,-0.2 -0.794 76.9 131.4 -93.7 94.7 8.3 57.7 13.4 48 71 A S + 0 0 60 -2,-1.2 2,-0.3 105,-0.2 23,-0.1 -0.948 10.8 104.3-145.4 164.5 8.5 61.4 12.4 49 72 A G - 0 0 38 21,-0.9 23,-0.3 -2,-0.3 3,-0.1 -0.988 66.4 -77.9 159.6-156.1 9.3 64.9 13.7 50 73 A R S S+ 0 0 118 -2,-0.3 23,-2.6 1,-0.2 2,-0.3 0.768 99.2 43.5-110.6 -39.9 12.0 67.5 13.6 51 74 A T E +a 73 0A 4 21,-0.2 102,-1.4 20,-0.1 103,-0.6 -0.853 54.7 176.2-116.7 150.7 14.8 66.4 15.9 52 75 A L E -ab 74 154A 0 21,-2.0 23,-3.1 -2,-0.3 2,-0.4 -0.991 12.9-153.1-150.0 138.5 16.5 63.1 16.6 53 76 A I E -ab 75 155A 0 101,-1.6 103,-2.3 -2,-0.3 2,-0.7 -0.944 6.7-149.5-119.0 134.5 19.4 62.1 18.8 54 77 A D E > -ab 76 156A 0 21,-3.1 23,-1.0 -2,-0.4 3,-0.7 -0.892 19.5-146.5-102.9 112.2 21.8 59.2 18.3 55 78 A I E 3 S- b 0 157A 0 101,-2.4 103,-0.6 -2,-0.7 106,-0.1 -0.630 75.7 -7.5 -80.9 129.6 22.9 57.8 21.7 56 79 A G T 3 S+ 0 0 0 -2,-0.4 22,-0.3 101,-0.1 -1,-0.3 0.941 75.1 177.9 50.4 55.1 26.5 56.5 21.9 57 80 A S X - 0 0 0 20,-2.7 3,-1.4 -3,-0.7 21,-0.2 0.758 11.7-171.9 -58.9 -28.9 27.0 56.8 18.1 58 81 A G T 3 - 0 0 0 19,-0.6 -1,-0.2 1,-0.2 29,-0.1 -0.309 59.9 -41.4 62.4-153.8 30.5 55.5 18.3 59 82 A P T 3 S+ 0 0 3 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.032 114.1 100.8 -95.2 27.8 32.4 55.9 15.0 60 83 A T < + 0 0 0 -3,-1.4 27,-0.1 1,-0.1 26,-0.0 -0.872 39.5 174.9-119.5 151.6 29.4 54.7 12.9 61 84 A V > + 0 0 0 -2,-0.3 3,-2.5 467,-0.1 4,-0.4 0.539 59.1 96.6-122.7 -17.8 26.7 56.4 10.9 62 85 A Y G > S+ 0 0 5 1,-0.3 3,-2.1 2,-0.2 4,-0.4 0.851 74.4 69.4 -42.3 -44.6 24.7 53.5 9.3 63 86 A Q G 3 S+ 0 0 1 1,-0.3 -1,-0.3 -6,-0.1 -2,-0.1 0.458 103.7 43.5 -62.3 2.5 22.1 53.7 12.1 64 87 A L G <> S+ 0 0 0 -3,-2.5 4,-3.6 3,-0.1 -1,-0.3 0.431 82.1 97.9-124.6 -3.6 20.9 57.0 10.6 65 88 A L T <4 S+ 0 0 0 -3,-2.1 4,-0.4 -4,-0.4 -2,-0.1 0.898 96.4 30.7 -54.3 -51.3 20.8 56.4 6.9 66 89 A S T 4 S+ 0 0 6 -4,-0.4 3,-0.4 1,-0.1 -1,-0.2 0.780 122.0 55.3 -79.6 -26.0 17.1 55.6 6.6 67 90 A A T >4 S+ 0 0 1 1,-0.2 3,-3.2 2,-0.1 4,-0.5 0.958 89.3 71.6 -69.5 -53.2 16.4 58.0 9.5 68 91 A C G >< S+ 0 0 0 -4,-3.6 3,-0.7 1,-0.3 -1,-0.2 0.678 89.5 62.0 -38.4 -33.3 18.0 61.1 8.2 69 92 A S G 3 S+ 0 0 33 -4,-0.4 -1,-0.3 -3,-0.4 -2,-0.1 0.420 105.7 48.0 -79.5 5.4 15.4 61.7 5.6 70 93 A H G < S+ 0 0 46 -3,-3.2 -21,-0.9 1,-0.2 2,-0.4 0.465 108.8 52.6-119.0 -7.8 12.7 62.0 8.3 71 94 A F < - 0 0 0 -3,-0.7 -1,-0.2 -4,-0.5 -21,-0.2 -0.970 54.5-166.1-136.9 121.6 14.5 64.5 10.7 72 95 A E S S+ 0 0 104 -2,-0.4 2,-0.6 -23,-0.3 -21,-0.2 0.757 84.7 49.5 -75.3 -27.5 16.0 67.8 9.8 73 96 A D E S+a 51 0A 15 -23,-2.6 -21,-2.0 55,-0.1 2,-0.5 -0.851 71.4 178.3-117.1 96.6 18.0 68.3 13.0 74 97 A I E -ac 52 128A 0 53,-2.7 55,-2.6 -2,-0.6 56,-0.8 -0.859 10.3-163.9-104.2 128.8 20.0 65.2 13.8 75 98 A T E -ac 53 130A 0 -23,-3.1 -21,-3.1 -2,-0.5 2,-0.3 -0.942 5.4-163.7-111.0 119.3 22.3 65.2 16.9 76 99 A M E -ac 54 131A 0 54,-2.6 56,-2.4 -2,-0.5 2,-0.3 -0.725 13.5-177.9-100.6 154.4 24.9 62.5 17.1 77 100 A T E + c 0 132A 0 -23,-1.0 -20,-2.7 -2,-0.3 -19,-0.6 -0.922 16.1 166.1-147.1 171.1 26.7 61.6 20.4 78 101 A D E - c 0 133A 0 54,-1.5 56,-0.5 -2,-0.3 6,-0.1 -0.788 36.7-128.7 175.3 140.3 29.4 59.5 22.2 79 102 A F S S+ 0 0 72 54,-0.3 2,-0.3 -2,-0.2 -1,-0.1 0.909 88.1 76.1 -59.6 -46.7 31.3 59.2 25.4 80 103 A L > - 0 0 8 1,-0.1 4,-1.6 53,-0.1 5,-0.2 -0.511 65.8-150.4 -81.6 136.9 34.7 59.0 23.7 81 104 A E H > S+ 0 0 96 -2,-0.3 4,-2.5 1,-0.2 3,-0.4 0.956 99.5 55.8 -61.8 -54.1 36.6 61.9 22.1 82 105 A V H > S+ 0 0 61 1,-0.3 4,-1.3 2,-0.2 -1,-0.2 0.818 107.2 51.6 -50.7 -34.5 38.3 59.6 19.6 83 106 A N H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.899 108.5 48.0 -72.6 -40.7 34.9 58.5 18.4 84 107 A R H X S+ 0 0 44 -4,-1.6 4,-2.1 -3,-0.4 -2,-0.2 0.861 111.9 52.8 -66.6 -32.9 33.5 61.9 17.9 85 108 A Q H X S+ 0 0 93 -4,-2.5 4,-1.6 2,-0.2 -1,-0.2 0.799 108.3 49.2 -72.0 -28.7 36.7 62.7 16.0 86 109 A E H X S+ 0 0 7 -4,-1.3 4,-1.3 -5,-0.2 12,-0.4 0.847 110.1 51.2 -78.2 -34.1 36.2 59.7 13.7 87 110 A L H X S+ 0 0 1 -4,-2.0 4,-2.6 1,-0.2 3,-0.3 0.925 108.0 53.5 -65.4 -43.7 32.6 60.8 13.1 88 111 A G H X S+ 0 0 19 -4,-2.1 4,-3.3 1,-0.2 6,-0.4 0.919 101.6 58.0 -57.2 -46.2 33.9 64.2 12.2 89 112 A R H <>S+ 0 0 71 -4,-1.6 5,-1.2 1,-0.2 8,-0.3 0.883 113.0 40.4 -53.5 -38.6 36.3 62.9 9.6 90 113 A W H <5S+ 0 0 8 -4,-1.3 -1,-0.2 -3,-0.3 -2,-0.2 0.850 115.2 50.5 -79.6 -34.4 33.4 61.2 7.8 91 114 A L H <5S+ 0 0 18 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.883 117.6 39.2 -69.8 -37.3 31.0 64.1 8.2 92 115 A Q T <5S- 0 0 130 -4,-3.3 -1,-0.2 -5,-0.2 -2,-0.2 0.448 107.4-125.2 -90.5 -1.4 33.6 66.6 6.9 93 116 A E T 5 + 0 0 140 -5,-0.3 -3,-0.2 -4,-0.2 -4,-0.1 0.723 53.9 163.8 63.3 21.0 34.8 64.2 4.3 94 117 A E > < - 0 0 91 -5,-1.2 3,-0.9 -6,-0.4 -1,-0.1 -0.042 46.1 -73.3 -62.2 171.0 38.3 64.7 5.7 95 118 A P T 3 S+ 0 0 121 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 -0.395 113.8 22.5 -71.1 146.2 41.1 62.3 4.8 96 119 A G T 3 S+ 0 0 57 1,-0.2 -6,-0.1 -3,-0.1 -7,-0.1 0.649 82.6 151.6 76.2 16.1 41.1 58.8 6.4 97 120 A A < - 0 0 28 -3,-0.9 -1,-0.2 -8,-0.3 2,-0.2 -0.334 55.0 -94.1 -73.4 161.7 37.4 58.7 7.2 98 121 A F - 0 0 29 -12,-0.4 2,-0.9 -39,-0.1 -1,-0.1 -0.523 37.7-119.9 -76.2 147.8 35.7 55.3 7.3 99 122 A N + 0 0 107 -2,-0.2 3,-0.3 1,-0.1 4,-0.1 -0.774 40.7 162.5 -95.1 102.3 34.1 54.3 4.0 100 123 A W >> + 0 0 2 -2,-0.9 4,-2.1 1,-0.2 3,-1.1 0.303 40.2 113.3 -97.9 7.0 30.3 53.8 4.4 101 124 A S H 3> S+ 0 0 14 1,-0.3 4,-2.9 2,-0.2 5,-0.2 0.895 74.6 54.2 -45.5 -51.6 29.5 53.9 0.7 102 125 A M H 3> S+ 0 0 72 -3,-0.3 4,-2.0 1,-0.2 -1,-0.3 0.836 110.1 48.6 -52.6 -36.5 28.4 50.2 0.6 103 126 A Y H <> S+ 0 0 11 -3,-1.1 4,-2.5 2,-0.2 -1,-0.2 0.900 110.7 48.5 -72.7 -42.4 26.0 50.9 3.5 104 127 A S H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 5,-0.2 0.944 111.6 50.8 -61.3 -48.9 24.5 54.0 1.9 105 128 A Q H X S+ 0 0 12 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.942 112.7 45.6 -53.9 -51.7 24.0 52.1 -1.4 106 129 A H H X S+ 0 0 19 -4,-2.0 4,-3.3 1,-0.2 -1,-0.2 0.873 110.9 52.1 -63.1 -38.1 22.3 49.2 0.3 107 130 A A H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.884 112.4 47.1 -64.7 -36.6 20.1 51.5 2.4 108 131 A C H X>S+ 0 0 2 -4,-2.5 4,-1.9 2,-0.2 5,-0.5 0.876 112.1 51.2 -68.5 -40.1 19.1 53.2 -0.9 109 132 A L H <5S+ 0 0 13 -4,-2.6 -2,-0.2 -5,-0.2 273,-0.2 0.964 112.7 44.4 -60.9 -54.4 18.6 49.7 -2.4 110 133 A I H <5S+ 0 0 49 -4,-3.3 -2,-0.2 1,-0.2 -1,-0.2 0.948 112.9 49.4 -56.4 -55.0 16.3 48.6 0.5 111 134 A E H <5S- 0 0 36 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.854 90.7-157.8 -55.5 -37.1 14.3 51.8 0.6 112 135 A G T <5 + 0 0 49 -4,-1.9 -3,-0.1 -5,-0.2 -4,-0.1 0.861 46.8 132.8 60.9 42.2 13.7 51.7 -3.1 113 136 A K S - 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