==== 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 3KQS . 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) . 20710.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 368 69.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 49 9.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 54 10.2 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 . 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 . 32 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 61 11.6 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 . 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 1 3 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 . 2 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 97 0, 0.0 3,-3.3 0, 0.0 4,-0.4 0.000 360.0 360.0 360.0 -33.8 34.4 52.5 32.2 2 25 A S G > + 0 0 104 1,-0.3 3,-1.3 2,-0.2 4,-0.3 0.718 360.0 75.0 -48.0 -24.2 38.2 53.2 32.2 3 26 A A G > S+ 0 0 46 1,-0.2 3,-1.7 2,-0.2 -1,-0.3 0.858 85.4 63.1 -55.9 -35.5 38.3 50.2 29.8 4 27 A Y G X S+ 0 0 12 -3,-3.3 3,-1.3 1,-0.3 -1,-0.2 0.700 82.5 77.2 -67.6 -17.9 36.9 52.6 27.1 5 28 A Q G < S+ 0 0 135 -3,-1.3 -1,-0.3 -4,-0.4 -2,-0.2 0.691 97.4 47.3 -65.4 -16.2 40.0 54.7 27.3 6 29 A R G < S+ 0 0 180 -3,-1.7 198,-0.6 -4,-0.3 197,-0.5 0.468 81.5 129.2-101.3 -6.0 41.8 52.0 25.3 7 30 A F < - 0 0 8 -3,-1.3 195,-0.1 -4,-0.3 75,-0.1 -0.302 45.5-156.0 -51.7 120.6 38.9 51.8 22.7 8 31 A E > - 0 0 79 193,-1.6 4,-2.4 1,-0.1 3,-0.3 -0.908 5.7-156.7-105.6 112.2 40.4 52.0 19.2 9 32 A P H > S+ 0 0 17 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.865 91.2 51.4 -53.5 -44.3 37.8 53.2 16.6 10 33 A R H > S+ 0 0 119 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.886 111.7 46.6 -65.7 -39.7 39.6 51.7 13.5 11 34 A A H > S+ 0 0 18 -3,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.924 113.3 50.2 -64.8 -44.9 39.9 48.3 15.1 12 35 A Y H X S+ 0 0 7 -4,-2.4 4,-1.3 2,-0.2 5,-0.2 0.921 112.0 47.4 -56.8 -46.7 36.2 48.5 16.2 13 36 A L H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 3,-0.3 0.908 113.2 48.2 -62.4 -44.3 35.2 49.5 12.6 14 37 A R H X S+ 0 0 186 -4,-2.3 4,-0.7 1,-0.2 -1,-0.2 0.893 110.9 52.1 -62.1 -41.4 37.2 46.7 11.1 15 38 A N H < S+ 0 0 30 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.757 126.9 17.6 -65.7 -29.5 35.8 44.1 13.5 16 39 A N H < S+ 0 0 22 -4,-1.3 -2,-0.2 -3,-0.3 -1,-0.2 0.623 128.5 37.6-123.1 -20.6 32.1 44.9 12.9 17 40 A Y H < S+ 0 0 8 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.1 0.212 99.7 73.6-131.3 11.6 31.6 46.8 9.6 18 41 A A S X S- 0 0 27 -4,-0.7 4,-1.8 -5,-0.3 3,-0.5 -0.829 93.8 -28.8-114.6 162.0 34.2 45.3 7.3 19 42 A P T 4 S+ 0 0 101 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.155 122.3 24.0 -52.7 146.8 33.7 41.8 5.8 20 43 A P T >4 S+ 0 0 63 0, 0.0 3,-1.9 0, 0.0 219,-0.1 -0.930 140.1 27.7 -78.9 -30.6 32.4 39.4 6.7 21 44 A R T 34 S+ 0 0 15 -3,-0.5 10,-0.5 1,-0.3 -5,-0.1 0.831 127.2 49.2 -59.4 -31.2 30.0 41.3 8.9 22 45 A G T 3< S+ 0 0 7 -4,-1.8 2,-0.7 -8,-0.2 -1,-0.3 0.283 82.4 108.7 -94.3 9.5 30.3 44.3 6.7 23 46 A D < - 0 0 73 -3,-1.9 8,-0.3 -5,-0.3 3,-0.2 -0.803 44.3-178.0 -85.5 117.4 29.6 42.4 3.5 24 47 A L + 0 0 7 -2,-0.7 -1,-0.1 1,-0.2 5,-0.1 0.384 59.2 89.1-101.0 2.9 26.2 43.5 2.3 25 48 A a S S+ 0 0 18 1,-0.1 359,-0.3 358,-0.1 -1,-0.2 0.893 73.7 75.1 -68.2 -38.8 25.8 41.3 -0.8 26 49 A N S > S- 0 0 57 -3,-0.2 3,-1.9 1,-0.2 5,-0.1 -0.664 71.3-155.5 -76.8 114.2 24.2 38.4 1.2 27 50 A P T 3 S+ 0 0 75 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.662 91.5 61.1 -65.5 -15.5 20.6 39.4 2.0 28 51 A N T 3 S+ 0 0 126 4,-0.1 -2,-0.1 5,-0.0 -4,-0.0 0.407 84.7 106.5 -91.1 1.5 20.7 37.0 5.0 29 52 A G S <> S- 0 0 6 -3,-1.9 4,-1.7 1,-0.1 5,-0.1 -0.218 82.4-109.3 -78.9 171.5 23.6 38.8 6.7 30 53 A V H > S+ 0 0 10 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.834 112.5 57.1 -72.5 -33.6 23.4 41.0 9.8 31 54 A G H > S+ 0 0 1 -10,-0.5 4,-2.3 -8,-0.3 5,-0.2 0.964 108.6 44.0 -61.5 -55.8 24.1 44.3 8.0 32 55 A P H > S+ 0 0 4 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.897 112.2 55.1 -56.8 -40.2 21.2 44.0 5.6 33 56 A W H X S+ 0 0 32 -4,-1.7 4,-2.3 1,-0.2 -2,-0.2 0.934 109.2 46.6 -58.3 -48.0 18.9 42.9 8.5 34 57 A K H X S+ 0 0 8 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.923 113.9 46.8 -60.1 -46.1 19.7 46.0 10.5 35 58 A L H X S+ 0 0 3 -4,-2.3 4,-2.9 1,-0.2 -1,-0.2 0.866 111.3 53.0 -65.8 -36.6 19.2 48.4 7.5 36 59 A R H X S+ 0 0 74 -4,-2.3 4,-2.6 -5,-0.2 5,-0.3 0.900 106.8 51.7 -64.2 -45.3 16.0 46.7 6.7 37 60 A C H X S+ 0 0 0 -4,-2.3 4,-1.7 -5,-0.2 -2,-0.2 0.931 114.6 43.3 -57.7 -45.4 14.6 47.1 10.2 38 61 A L H X S+ 0 0 5 -4,-2.0 4,-2.2 2,-0.2 5,-0.2 0.949 115.5 46.7 -68.4 -48.1 15.4 50.8 10.1 39 62 A A H X S+ 0 0 7 -4,-2.9 4,-2.0 1,-0.2 -2,-0.2 0.931 112.8 49.3 -59.5 -49.4 14.1 51.5 6.6 40 63 A Q H X S+ 0 0 84 -4,-2.6 4,-0.6 1,-0.2 -1,-0.2 0.877 110.0 52.3 -57.8 -41.3 10.9 49.6 7.2 41 64 A T H >< S+ 0 0 2 -4,-1.7 3,-1.0 -5,-0.3 5,-0.5 0.937 113.0 42.7 -63.5 -46.7 10.2 51.5 10.4 42 65 A F H >< S+ 0 0 3 -4,-2.2 3,-1.5 1,-0.2 -1,-0.2 0.791 104.3 66.7 -70.1 -26.5 10.7 54.9 8.8 43 66 A A H 3< S+ 0 0 84 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.673 85.2 71.9 -70.3 -15.0 8.7 53.8 5.8 44 67 A T T << S- 0 0 62 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.721 98.0-138.1 -67.9 -21.1 5.6 53.6 8.0 45 68 A G S < S+ 0 0 47 -3,-1.5 -2,-0.1 -4,-0.2 -3,-0.1 0.498 77.8 107.0 73.7 4.6 5.6 57.4 8.1 46 69 A E + 0 0 97 -5,-0.5 2,-0.8 1,-0.2 -4,-0.1 0.629 62.0 70.3 -90.0 -15.5 4.8 57.2 11.8 47 70 A V S S+ 0 0 1 -6,-0.3 2,-0.3 -5,-0.2 -1,-0.2 -0.851 74.0 128.0-104.2 98.2 8.3 58.2 13.0 48 71 A S + 0 0 65 -2,-0.8 2,-0.3 105,-0.1 139,-0.1 -0.881 11.8 108.9-145.1 170.7 8.5 61.8 12.1 49 72 A G - 0 0 40 21,-0.7 23,-0.3 -2,-0.3 3,-0.1 -0.970 65.4 -79.9 149.8-162.2 9.4 65.3 13.5 50 73 A R S S+ 0 0 120 -2,-0.3 23,-2.2 1,-0.2 2,-0.4 0.790 98.4 40.0-107.1 -40.2 12.0 68.0 13.3 51 74 A T E -a 73 0A 6 21,-0.2 102,-1.7 20,-0.1 103,-0.9 -0.912 55.4-178.9-123.9 144.1 14.9 66.9 15.6 52 75 A L E -ab 74 154A 1 21,-2.7 23,-2.5 -2,-0.4 2,-0.4 -0.989 11.3-154.3-138.2 144.7 16.6 63.5 16.3 53 76 A I E -ab 75 155A 1 101,-2.1 103,-2.1 -2,-0.3 2,-0.6 -0.984 7.0-151.0-122.5 128.5 19.4 62.4 18.6 54 77 A D E -ab 76 156A 0 21,-3.0 23,-0.6 -2,-0.4 2,-0.5 -0.868 19.2-144.8 -95.9 121.8 21.6 59.4 18.1 55 78 A I E S- b 0 157A 0 101,-3.2 103,-0.5 -2,-0.6 105,-0.1 -0.779 73.8 -5.3 -96.1 120.6 22.9 58.0 21.4 56 79 A G S S+ 0 0 1 -2,-0.5 -1,-0.2 101,-0.1 102,-0.2 0.966 73.2 174.8 64.1 55.0 26.4 56.6 21.6 57 80 A S > - 0 0 0 20,-3.0 3,-1.7 -3,-0.5 21,-0.2 0.760 9.7-176.1 -62.0 -29.5 27.1 56.9 17.9 58 81 A G T 3 - 0 0 0 19,-0.6 -1,-0.2 1,-0.2 29,-0.1 -0.342 64.0 -39.6 55.9-145.3 30.7 55.8 18.2 59 82 A P T 3 S+ 0 0 3 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.077 113.8 101.3 -95.5 23.2 32.5 56.1 14.8 60 83 A T < + 0 0 0 -3,-1.7 27,-0.0 1,-0.1 40,-0.0 -0.790 38.1 174.7-116.9 153.3 29.5 54.8 12.8 61 84 A V > + 0 0 0 -2,-0.3 3,-2.3 2,-0.1 4,-0.4 0.456 59.2 97.6-127.3 -8.6 26.8 56.4 10.6 62 85 A Y G > S+ 0 0 1 1,-0.3 3,-1.2 2,-0.2 4,-0.4 0.803 77.4 66.8 -53.5 -31.2 24.9 53.4 9.2 63 86 A Q G 3 S+ 0 0 1 1,-0.2 -1,-0.3 2,-0.1 4,-0.1 0.595 104.5 42.1 -69.7 -10.6 22.2 53.8 11.9 64 87 A L G <> S+ 0 0 0 -3,-2.3 4,-2.2 2,-0.1 -1,-0.2 0.365 82.5 101.1-114.9 2.9 21.1 57.1 10.5 65 88 A L T <4 S+ 0 0 0 -3,-1.2 4,-0.2 -4,-0.4 -2,-0.1 0.888 95.4 29.7 -61.1 -44.3 21.0 56.4 6.8 66 89 A S T >4 S+ 0 0 4 -4,-0.4 3,-0.5 1,-0.1 -1,-0.2 0.736 118.5 59.6 -83.3 -25.8 17.3 55.8 6.6 67 90 A A G >4 S+ 0 0 0 1,-0.2 3,-2.3 2,-0.1 4,-0.5 0.835 87.2 73.8 -69.4 -34.4 16.5 58.3 9.4 68 91 A C G 3< S+ 0 0 0 -4,-2.2 3,-0.5 1,-0.3 -1,-0.2 0.705 87.6 59.4 -64.5 -22.6 18.1 61.3 7.8 69 92 A S G < S+ 0 0 35 -3,-0.5 -1,-0.3 -4,-0.2 -2,-0.1 0.525 108.1 47.9 -81.0 -2.9 15.3 62.0 5.3 70 93 A H S < S+ 0 0 48 -3,-2.3 -21,-0.7 1,-0.2 2,-0.4 0.464 108.5 51.7-113.1 -5.8 12.8 62.3 8.1 71 94 A F - 0 0 0 -4,-0.5 -1,-0.2 -3,-0.5 -21,-0.2 -0.946 54.3-166.4-141.9 117.5 14.6 64.7 10.5 72 95 A E S S+ 0 0 103 -2,-0.4 2,-0.5 -23,-0.3 -21,-0.2 0.705 82.6 50.7 -77.7 -21.3 16.1 68.0 9.5 73 96 A D E +a 51 0A 15 -23,-2.2 -21,-2.7 55,-0.1 2,-0.4 -0.935 69.4 176.6-123.3 110.8 18.1 68.5 12.7 74 97 A I E -ac 52 128A 0 53,-2.6 55,-2.2 -2,-0.5 56,-1.1 -0.933 13.5-162.6-118.0 133.3 20.3 65.5 13.8 75 98 A T E -ac 53 130A 1 -23,-2.5 -21,-3.0 -2,-0.4 2,-0.3 -0.960 7.0-162.5-112.2 125.0 22.6 65.4 16.8 76 99 A M E -ac 54 131A 0 54,-2.6 56,-2.6 -2,-0.5 2,-0.3 -0.810 15.1-174.0-102.6 150.4 25.3 62.7 17.0 77 100 A T E + c 0 132A 0 -23,-0.6 -20,-3.0 -2,-0.3 -19,-0.6 -0.974 15.4 168.7-142.3 153.3 26.9 61.8 20.3 78 101 A D E - c 0 133A 0 54,-2.0 56,-0.6 -2,-0.3 6,-0.1 -0.950 35.3-134.2-161.1 157.6 29.6 59.8 21.9 79 102 A F S S+ 0 0 72 -2,-0.3 2,-0.4 54,-0.2 -1,-0.1 0.800 89.7 71.2 -72.9 -31.3 31.5 59.4 25.2 80 103 A L > - 0 0 8 1,-0.1 4,-1.8 -3,-0.1 3,-0.3 -0.755 66.5-151.3-100.1 132.9 34.9 59.2 23.5 81 104 A E H > S+ 0 0 95 -2,-0.4 4,-2.2 1,-0.2 5,-0.2 0.865 99.4 59.0 -60.5 -39.9 36.7 62.1 21.8 82 105 A V H > S+ 0 0 61 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.826 106.6 48.1 -63.6 -30.2 38.4 59.7 19.4 83 106 A N H > S+ 0 0 0 -3,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.901 109.2 51.9 -74.2 -42.3 35.0 58.5 18.2 84 107 A R H X S+ 0 0 49 -4,-1.8 4,-2.0 1,-0.2 -2,-0.2 0.853 111.3 49.0 -60.8 -34.0 33.7 62.1 17.8 85 108 A Q H X S+ 0 0 91 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.902 108.1 52.5 -71.7 -42.2 36.9 62.8 15.7 86 109 A E H X S+ 0 0 8 -4,-1.7 4,-1.2 1,-0.2 12,-0.3 0.907 110.8 48.8 -59.2 -41.6 36.4 59.7 13.6 87 110 A L H X S+ 0 0 2 -4,-2.5 4,-3.0 1,-0.2 3,-0.5 0.929 107.4 55.3 -61.3 -46.5 32.8 60.9 12.9 88 111 A G H X S+ 0 0 17 -4,-2.0 4,-2.5 1,-0.2 6,-0.3 0.861 102.0 57.8 -55.5 -39.4 34.1 64.4 12.0 89 112 A R H <>S+ 0 0 73 -4,-2.1 5,-2.5 2,-0.2 8,-0.3 0.883 113.1 38.5 -60.0 -40.6 36.4 62.9 9.4 90 113 A W H ><5S+ 0 0 8 -4,-1.2 3,-1.0 -3,-0.5 -2,-0.2 0.923 115.5 51.6 -75.8 -44.9 33.5 61.3 7.6 91 114 A L H 3<5S+ 0 0 20 -4,-3.0 -2,-0.2 1,-0.3 -3,-0.2 0.870 118.9 37.4 -60.0 -37.3 31.1 64.2 8.1 92 115 A Q T 3<5S- 0 0 132 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.386 108.6-122.7 -94.4 0.8 33.7 66.7 6.7 93 116 A E T < 5 + 0 0 142 -3,-1.0 -3,-0.2 -4,-0.2 -4,-0.1 0.849 52.8 169.1 57.7 36.7 35.0 64.2 4.1 94 117 A E > < - 0 0 91 -5,-2.5 3,-1.2 -6,-0.3 -1,-0.1 -0.309 43.4 -71.8 -76.8 162.1 38.5 64.5 5.5 95 118 A P T 3 S+ 0 0 123 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 -0.229 116.0 17.8 -55.2 137.2 41.4 62.3 4.6 96 119 A G T 3 S+ 0 0 56 1,-0.2 -6,-0.1 -3,-0.1 3,-0.1 0.640 82.5 158.9 78.9 16.3 41.3 58.7 5.9 97 120 A A < - 0 0 30 -3,-1.2 -1,-0.2 -8,-0.3 -10,-0.1 -0.357 50.2 -95.2 -67.2 151.1 37.6 58.7 6.7 98 121 A F - 0 0 31 -12,-0.3 2,-1.0 -39,-0.1 -1,-0.1 -0.354 36.8-117.5 -63.4 147.2 35.9 55.3 6.9 99 122 A N + 0 0 105 1,-0.2 3,-0.3 -3,-0.1 4,-0.1 -0.782 42.6 163.2 -92.7 101.5 34.2 54.1 3.7 100 123 A W >> + 0 0 2 -2,-1.0 4,-2.1 1,-0.2 3,-1.2 0.399 42.1 109.2 -93.3 1.8 30.5 53.8 4.5 101 124 A S H 3> S+ 0 0 12 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.754 71.3 58.1 -57.9 -28.8 29.4 53.8 0.8 102 125 A M H 3> S+ 0 0 62 -3,-0.3 4,-1.9 2,-0.2 -1,-0.3 0.893 110.6 44.2 -66.4 -37.7 28.4 50.1 0.8 103 126 A Y H <> S+ 0 0 5 -3,-1.2 4,-2.4 2,-0.2 -2,-0.2 0.905 113.1 50.8 -71.0 -43.3 25.9 50.8 3.6 104 127 A S H X S+ 0 0 0 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.922 111.0 49.2 -59.5 -45.1 24.7 54.0 1.8 105 128 A Q H X S+ 0 0 6 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.906 111.9 48.3 -61.6 -42.3 24.2 52.0 -1.4 106 129 A H H X S+ 0 0 15 -4,-1.9 4,-2.9 1,-0.2 -2,-0.2 0.869 107.5 54.6 -69.7 -35.1 22.3 49.3 0.4 107 130 A A H X S+ 0 0 1 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.904 110.7 46.5 -59.5 -43.7 20.1 51.8 2.2 108 131 A C H X>S+ 0 0 1 -4,-1.9 4,-1.5 2,-0.2 5,-0.6 0.889 112.2 51.1 -66.3 -40.4 19.1 53.3 -1.2 109 132 A L H <5S+ 0 0 20 -4,-2.2 -2,-0.2 1,-0.2 3,-0.2 0.961 114.9 42.2 -57.4 -54.3 18.5 49.8 -2.6 110 133 A I H <5S+ 0 0 57 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.857 110.3 55.1 -63.8 -40.7 16.3 48.8 0.3 111 134 A E H <5S- 0 0 34 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.822 91.6-152.2 -69.2 -29.6 14.4 52.1 0.5 112 135 A G T <5 + 0 0 57 -4,-1.5 -3,-0.1 -3,-0.2 -4,-0.1 0.808 55.8 122.9 67.7 34.7 13.5 51.8 -3.2 113 136 A K S > - 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