==== 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 27-FEB-06 2G72 . COMPND 2 MOLECULE: PHENYLETHANOLAMINE N-METHYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.D.A.TYNDALL,C.L.GEE,J.L.MARTIN . 533 4 2 0 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20872.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 384 72.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 49 9.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 54 10.1 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 . 34 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 65 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 154 28.9 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 2 0 0 0 0 3 1 8 2 1 1 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 . 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 17 A A > 0 0 92 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -48.9 30.1 54.6 40.9 2 18 A P H > + 0 0 113 0, 0.0 4,-1.0 0, 0.0 5,-0.1 0.950 360.0 43.3 -61.3 -51.1 32.6 51.7 41.3 3 19 A G H > S+ 0 0 31 1,-0.2 4,-1.2 2,-0.2 5,-0.1 0.786 115.9 50.4 -66.1 -27.6 31.2 49.6 38.4 4 20 A Q H > S+ 0 0 47 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.922 107.7 49.0 -77.3 -47.0 30.9 52.7 36.2 5 21 A A H X S+ 0 0 67 -4,-2.5 4,-0.8 1,-0.2 -1,-0.2 0.706 109.6 56.7 -65.8 -19.3 34.4 54.1 36.7 6 22 A A H X S+ 0 0 60 -4,-1.0 4,-1.5 -5,-0.2 -1,-0.2 0.898 109.6 42.2 -77.1 -44.1 35.7 50.6 35.9 7 23 A V H >X S+ 0 0 23 -4,-1.2 4,-2.5 1,-0.2 3,-0.6 0.957 111.8 55.9 -64.9 -49.7 34.0 50.4 32.5 8 24 A A H 3< S+ 0 0 29 -4,-2.8 4,-0.4 1,-0.3 -1,-0.2 0.801 106.2 53.1 -51.2 -33.0 35.0 54.0 31.9 9 25 A S H >< S+ 0 0 78 -4,-0.8 3,-0.8 -5,-0.2 4,-0.3 0.879 106.9 49.5 -72.4 -40.9 38.6 52.8 32.5 10 26 A A H X< S+ 0 0 30 -4,-1.5 3,-1.8 -3,-0.6 4,-0.3 0.908 105.0 59.2 -66.4 -40.5 38.4 50.0 29.9 11 27 A Y G >< S+ 0 0 1 -4,-2.5 3,-0.9 1,-0.3 -1,-0.2 0.662 85.3 78.7 -65.1 -12.3 37.0 52.3 27.3 12 28 A Q G < S+ 0 0 130 -3,-0.8 -1,-0.3 -4,-0.4 -2,-0.2 0.785 97.1 45.4 -67.4 -22.0 40.1 54.5 27.5 13 29 A R G < S+ 0 0 180 -3,-1.8 198,-0.6 -4,-0.3 197,-0.4 0.532 81.9 131.9 -95.9 -6.9 41.9 51.9 25.4 14 30 A F < - 0 0 7 -3,-0.9 195,-0.2 -4,-0.3 75,-0.1 -0.235 44.6-154.4 -51.4 115.9 39.0 51.6 22.9 15 31 A E > - 0 0 78 193,-2.1 4,-2.2 1,-0.2 3,-0.2 -0.849 5.4-158.8-100.1 110.3 40.4 51.8 19.3 16 32 A P H > S+ 0 0 16 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.895 91.6 50.1 -51.5 -49.2 37.8 53.0 16.7 17 33 A R H > S+ 0 0 119 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.891 111.7 49.0 -60.1 -40.4 39.6 51.6 13.7 18 34 A A H > S+ 0 0 16 2,-0.2 4,-2.4 -3,-0.2 -1,-0.2 0.892 112.2 48.9 -65.2 -40.7 39.9 48.2 15.3 19 35 A Y H X S+ 0 0 7 -4,-2.2 4,-1.8 2,-0.2 5,-0.4 0.927 112.1 47.8 -64.6 -47.4 36.2 48.3 16.3 20 36 A L H X>S+ 0 0 0 -4,-2.9 4,-2.7 1,-0.2 5,-0.8 0.922 113.7 48.1 -58.9 -47.1 35.1 49.3 12.7 21 37 A R H X5S+ 0 0 183 -4,-2.4 4,-0.6 -5,-0.2 -2,-0.2 0.911 110.8 50.1 -61.5 -45.0 37.3 46.6 11.2 22 38 A N H <5S+ 0 0 29 -4,-2.4 6,-0.2 -5,-0.2 -1,-0.2 0.821 130.0 15.8 -65.4 -32.3 36.1 43.8 13.6 23 39 A N H <5S+ 0 0 26 -4,-1.8 -2,-0.2 -5,-0.2 -3,-0.2 0.788 127.3 39.6-114.4 -36.7 32.4 44.6 13.0 24 40 A Y H <5S+ 0 0 22 -4,-2.7 -3,-0.2 -5,-0.4 -2,-0.1 0.517 101.0 71.2-100.6 -2.1 31.7 46.7 9.9 25 41 A A S X4 S+ 0 0 67 0, 0.0 3,-1.9 0, 0.0 219,-0.1 -0.929 137.1 25.9 -71.6 -33.8 32.5 39.1 7.0 28 44 A R T 34 S+ 0 0 15 -3,-0.3 10,-0.5 1,-0.3 -4,-0.1 0.846 126.9 51.7 -59.2 -32.4 29.9 40.9 9.2 29 45 A G T 3< S+ 0 0 9 -4,-2.1 2,-0.9 -8,-0.2 -1,-0.3 0.337 77.2 118.4 -86.8 7.4 30.1 43.9 6.9 30 46 A D < - 0 0 72 -3,-1.9 3,-0.4 -5,-0.3 8,-0.2 -0.643 38.7-178.2 -77.2 109.0 29.5 41.9 3.7 31 47 A L + 0 0 13 -2,-0.9 -1,-0.2 1,-0.2 5,-0.0 0.488 65.7 78.5 -88.0 -0.0 26.2 43.3 2.3 32 48 A a S S+ 0 0 24 358,-0.1 359,-0.2 1,-0.1 -1,-0.2 0.807 76.9 76.3 -77.3 -30.3 26.0 41.0 -0.7 33 49 A N S > S- 0 0 49 -3,-0.4 3,-1.9 1,-0.2 5,-0.1 -0.742 71.7-154.4 -82.6 114.3 24.7 38.0 1.3 34 50 A P T 3 S+ 0 0 78 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.720 92.4 58.1 -62.2 -19.7 21.0 38.8 2.0 35 51 A N T 3 S+ 0 0 125 4,-0.1 -4,-0.1 5,-0.0 -3,-0.0 0.452 84.0 106.4 -89.6 -2.2 21.1 36.5 5.0 36 52 A G S <> S- 0 0 5 -3,-1.9 4,-2.0 -6,-0.1 5,-0.1 -0.283 82.0-114.2 -73.7 165.5 23.9 38.4 6.7 37 53 A V H > S+ 0 0 18 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.793 112.3 61.3 -69.9 -28.1 23.4 40.6 9.8 38 54 A G H > S+ 0 0 8 -10,-0.5 4,-2.3 -8,-0.2 5,-0.3 0.983 109.0 39.2 -63.8 -57.6 24.3 43.7 7.8 39 55 A P H > S+ 0 0 0 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.925 116.4 54.0 -59.1 -40.9 21.5 43.4 5.3 40 56 A W H X S+ 0 0 29 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.920 110.6 44.6 -58.5 -47.3 19.1 42.2 8.1 41 57 A K H X S+ 0 0 10 -4,-2.8 4,-1.7 2,-0.2 5,-0.2 0.935 113.7 48.3 -65.5 -47.0 19.8 45.3 10.3 42 58 A L H X S+ 0 0 3 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.888 111.6 52.6 -59.8 -37.3 19.5 47.8 7.4 43 59 A R H X S+ 0 0 80 -4,-2.3 4,-2.8 -5,-0.3 5,-0.2 0.903 108.6 48.0 -66.0 -43.3 16.3 46.2 6.4 44 60 A C H X S+ 0 0 0 -4,-1.9 4,-1.2 2,-0.2 -1,-0.2 0.789 112.3 49.7 -71.7 -24.7 14.8 46.4 9.8 45 61 A L H X S+ 0 0 4 -4,-1.7 4,-1.7 2,-0.2 -2,-0.2 0.894 114.1 45.7 -78.1 -38.2 15.8 50.1 10.1 46 62 A A H X S+ 0 0 6 -4,-2.5 4,-2.5 -5,-0.2 -2,-0.2 0.934 111.8 49.3 -69.1 -46.9 14.3 50.9 6.7 47 63 A Q H X S+ 0 0 86 -4,-2.8 4,-0.7 1,-0.2 -1,-0.2 0.894 108.4 55.4 -60.8 -40.1 11.1 49.0 7.2 48 64 A T H >< S+ 0 0 2 -4,-1.2 3,-0.9 -5,-0.2 5,-0.4 0.947 113.7 39.1 -58.6 -48.8 10.6 50.7 10.5 49 65 A F H >< S+ 0 0 4 -4,-1.7 3,-1.9 1,-0.2 -1,-0.2 0.826 104.3 68.0 -72.8 -29.4 10.8 54.2 9.0 50 66 A A H 3< S+ 0 0 86 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.690 86.7 72.0 -63.2 -16.7 8.9 53.2 5.9 51 67 A T T << S- 0 0 69 -3,-0.9 -1,-0.3 -4,-0.7 -2,-0.2 0.682 98.7-134.9 -71.0 -19.5 5.8 52.9 8.1 52 68 A G S < S+ 0 0 45 -3,-1.9 -2,-0.1 -4,-0.2 -3,-0.1 0.370 78.7 111.0 78.7 -6.0 5.7 56.7 8.5 53 69 A E + 0 0 93 -5,-0.4 2,-0.8 1,-0.2 -4,-0.1 0.805 64.8 62.7 -68.9 -33.9 5.1 56.0 12.3 54 70 A V S S+ 0 0 1 -6,-0.4 2,-0.3 -5,-0.2 -2,-0.2 -0.835 75.7 121.3-102.1 103.8 8.5 57.4 13.3 55 71 A S + 0 0 60 -2,-0.8 2,-0.3 105,-0.2 23,-0.1 -0.940 13.2 110.0-152.5 171.7 8.8 61.1 12.4 56 72 A G - 0 0 38 21,-1.0 23,-0.4 -2,-0.3 3,-0.1 -0.979 65.6 -74.6 152.0-161.6 9.4 64.5 13.8 57 73 A R S S+ 0 0 123 -2,-0.3 23,-2.7 1,-0.2 2,-0.4 0.852 99.9 39.3-101.9 -44.3 12.0 67.3 13.8 58 74 A T E -a 80 0A 6 21,-0.2 102,-1.3 20,-0.1 103,-0.9 -0.870 55.8-179.2-118.3 147.4 14.8 66.2 16.1 59 75 A L E -ab 81 161A 1 21,-2.4 23,-3.1 -2,-0.4 2,-0.4 -0.995 11.6-154.2-141.5 143.1 16.6 63.0 16.7 60 76 A I E -ab 82 162A 1 101,-1.7 103,-2.2 -2,-0.3 2,-0.7 -0.977 6.5-152.0-122.3 131.4 19.3 61.9 19.0 61 77 A D E > -ab 83 163A 0 21,-3.2 23,-0.9 -2,-0.4 2,-0.6 -0.917 18.4-147.4-103.5 114.4 21.6 59.0 18.4 62 78 A I E 3 S- b 0 164A 0 101,-3.0 103,-0.5 -2,-0.7 106,-0.1 -0.732 74.9 -2.8 -87.9 116.7 22.9 57.6 21.8 63 79 A G T 3 S+ 0 0 1 -2,-0.6 -1,-0.2 101,-0.1 22,-0.2 0.953 72.6 174.9 69.6 50.9 26.3 56.1 21.8 64 80 A S X - 0 0 0 20,-2.9 3,-1.8 -3,-0.6 21,-0.2 0.761 10.5-176.7 -58.9 -30.8 27.1 56.6 18.1 65 81 A G T 3 - 0 0 0 19,-0.6 -1,-0.2 1,-0.2 29,-0.2 -0.362 64.1 -40.6 59.9-144.6 30.6 55.4 18.5 66 82 A P T 3 S+ 0 0 2 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.019 114.2 100.1-102.9 28.8 32.3 55.7 15.1 67 83 A T < + 0 0 0 -3,-1.8 27,-0.0 1,-0.1 40,-0.0 -0.855 38.1 174.4-119.8 154.1 29.4 54.5 13.0 68 84 A V > + 0 0 0 -2,-0.3 3,-2.5 2,-0.1 4,-0.4 0.420 60.0 96.7-128.5 -7.3 26.7 56.2 11.0 69 85 A Y G > S+ 0 0 8 1,-0.3 3,-1.4 2,-0.2 4,-0.4 0.839 76.9 66.7 -55.5 -34.3 24.8 53.2 9.4 70 86 A Q G 3 S+ 0 0 2 1,-0.3 -1,-0.3 -6,-0.1 4,-0.2 0.630 105.6 44.0 -63.1 -11.7 22.3 53.4 12.2 71 87 A L G <> S+ 0 0 0 -3,-2.5 4,-2.7 2,-0.1 -1,-0.3 0.434 82.7 97.1-112.7 0.1 21.2 56.7 10.8 72 88 A L T <4 S+ 0 0 0 -3,-1.4 4,-0.2 -4,-0.4 -2,-0.1 0.879 97.6 28.9 -58.9 -43.4 21.1 56.1 7.0 73 89 A S T >4 S+ 0 0 4 -4,-0.4 3,-0.5 1,-0.1 -1,-0.2 0.750 120.0 57.9 -87.2 -26.3 17.3 55.4 6.7 74 90 A A G >4 S+ 0 0 0 1,-0.2 3,-2.3 -4,-0.2 4,-0.3 0.862 88.1 74.2 -70.7 -38.1 16.5 57.6 9.7 75 91 A C G >< S+ 0 0 0 -4,-2.7 3,-0.6 1,-0.3 -1,-0.2 0.656 87.1 59.9 -54.7 -23.6 18.0 60.8 8.3 76 92 A S G < S+ 0 0 31 -3,-0.5 -1,-0.3 1,-0.2 -2,-0.1 0.426 105.4 51.5 -86.3 3.8 15.3 61.5 5.7 77 93 A H G < S+ 0 0 44 -3,-2.3 -21,-1.0 1,-0.2 2,-0.3 0.409 107.6 49.8-116.5 -1.0 12.7 61.7 8.6 78 94 A F < - 0 0 0 -3,-0.6 -1,-0.2 -4,-0.3 -21,-0.2 -0.930 54.4-165.3-144.8 118.3 14.5 64.2 10.9 79 95 A E S S+ 0 0 114 -23,-0.4 2,-0.6 -2,-0.3 -21,-0.2 0.764 84.4 49.0 -72.2 -28.2 15.9 67.6 10.0 80 96 A D E S+a 58 0A 14 -23,-2.7 -21,-2.4 55,-0.1 2,-0.4 -0.947 71.2 177.2-117.6 113.0 17.9 68.1 13.2 81 97 A I E -ac 59 135A 0 53,-2.7 55,-1.4 -2,-0.6 56,-1.1 -0.950 13.1-161.2-119.6 135.6 20.0 65.1 14.2 82 98 A T E -ac 60 137A 1 -23,-3.1 -21,-3.2 -2,-0.4 2,-0.3 -0.953 5.5-163.8-115.7 126.5 22.4 64.9 17.2 83 99 A M E -ac 61 138A 0 54,-2.7 56,-2.4 -2,-0.5 2,-0.3 -0.793 15.2-174.1-104.9 151.9 25.1 62.2 17.4 84 100 A T E + c 0 139A 0 -23,-0.9 -20,-2.9 -2,-0.3 -19,-0.6 -0.984 15.9 166.3-147.8 158.2 26.8 61.4 20.6 85 101 A D - 0 0 0 54,-1.9 56,-0.4 -2,-0.3 6,-0.1 -0.918 35.7-132.5-169.4 147.8 29.5 59.4 22.3 86 102 A F S S+ 0 0 63 -2,-0.3 2,-0.3 54,-0.2 -1,-0.1 0.822 88.0 72.7 -67.6 -35.0 31.5 59.1 25.6 87 103 A L > - 0 0 11 1,-0.1 4,-1.6 53,-0.1 5,-0.1 -0.661 67.8-147.4 -93.5 142.0 34.9 59.0 23.9 88 104 A E H > S+ 0 0 106 -2,-0.3 4,-2.0 1,-0.2 5,-0.2 0.904 99.4 57.4 -65.5 -44.9 36.7 61.9 22.3 89 105 A V H > S+ 0 0 59 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.821 106.0 49.0 -58.7 -35.7 38.3 59.6 19.7 90 106 A N H > S+ 0 0 0 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.927 109.5 51.1 -71.5 -43.4 35.0 58.3 18.4 91 107 A R H X S+ 0 0 46 -4,-1.6 4,-1.7 1,-0.2 -2,-0.2 0.845 112.6 48.4 -60.5 -31.9 33.6 61.9 18.1 92 108 A Q H X S+ 0 0 93 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.905 109.2 51.3 -74.0 -42.0 36.7 62.7 16.1 93 109 A E H X S+ 0 0 11 -4,-2.2 4,-1.0 1,-0.2 12,-0.3 0.904 110.9 49.4 -60.4 -42.3 36.4 59.6 13.9 94 110 A L H >X S+ 0 0 2 -4,-2.8 4,-3.0 1,-0.2 3,-0.7 0.902 107.8 54.4 -61.8 -42.9 32.8 60.7 13.2 95 111 A G H 3X S+ 0 0 18 -4,-1.7 4,-3.0 1,-0.2 6,-0.3 0.875 101.0 59.4 -59.7 -39.3 33.9 64.2 12.4 96 112 A R H 3<>S+ 0 0 64 -4,-2.0 5,-2.5 1,-0.2 8,-0.3 0.821 113.6 37.2 -60.3 -31.2 36.4 62.8 9.8 97 113 A W H X<5S+ 0 0 9 -4,-1.0 3,-0.8 -3,-0.7 -2,-0.2 0.872 116.4 51.3 -87.6 -41.0 33.5 61.2 7.9 98 114 A L H 3<5S+ 0 0 20 -4,-3.0 -2,-0.2 1,-0.3 -3,-0.2 0.912 118.8 37.6 -60.5 -43.4 31.0 64.0 8.5 99 115 A Q T 3<5S- 0 0 136 -4,-3.0 -1,-0.3 -5,-0.2 -2,-0.2 0.334 110.9-122.0 -89.5 4.7 33.5 66.6 7.2 100 116 A E T < 5 + 0 0 141 -3,-0.8 -3,-0.2 -5,-0.2 -4,-0.1 0.890 54.0 167.2 54.8 41.8 34.8 64.2 4.6 101 117 A E > < - 0 0 89 -5,-2.5 3,-1.2 -6,-0.3 2,-0.1 -0.225 43.4 -76.0 -80.0 172.8 38.3 64.5 6.0 102 118 A P T 3 S+ 0 0 117 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.440 115.4 23.0 -70.8 144.3 41.2 62.2 5.1 103 119 A G T 3 S+ 0 0 59 1,-0.2 -6,-0.1 -2,-0.1 -7,-0.1 0.526 83.1 153.3 80.7 4.0 41.2 58.8 6.7 104 120 A A < - 0 0 30 -3,-1.2 -1,-0.2 -8,-0.3 2,-0.1 -0.312 54.4 -99.6 -63.2 150.2 37.4 58.7 7.2 105 121 A F - 0 0 28 -12,-0.3 2,-1.0 -39,-0.1 -1,-0.1 -0.464 36.0-118.5 -69.9 145.2 35.8 55.3 7.3 106 122 A N + 0 0 105 1,-0.2 3,-0.3 -2,-0.1 4,-0.1 -0.773 40.4 166.5 -91.6 104.1 34.2 54.4 3.9 107 123 A W >> + 0 0 2 -2,-1.0 4,-2.1 1,-0.2 3,-1.1 0.381 41.4 112.0 -93.5 0.7 30.5 53.8 4.6 108 124 A S H 3> S+ 0 0 11 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.788 71.7 55.4 -48.1 -39.9 29.5 53.9 0.9 109 125 A M H 3> S+ 0 0 63 -3,-0.3 4,-2.1 1,-0.2 -1,-0.3 0.897 111.2 46.3 -62.6 -38.4 28.5 50.2 0.6 110 126 A Y H <> S+ 0 0 14 -3,-1.1 4,-2.6 2,-0.2 -2,-0.2 0.909 111.4 50.7 -68.7 -43.1 26.1 50.7 3.5 111 127 A S H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.932 112.1 48.3 -59.0 -45.3 24.7 53.9 2.0 112 128 A Q H X S+ 0 0 8 -4,-2.6 4,-2.7 -5,-0.2 -1,-0.2 0.898 111.2 49.2 -63.0 -41.7 24.1 52.1 -1.3 113 129 A H H X S+ 0 0 20 -4,-2.1 4,-2.9 2,-0.2 -1,-0.2 0.901 109.0 52.3 -68.2 -37.4 22.4 49.2 0.4 114 130 A A H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 -1,-0.2 0.916 112.4 46.7 -62.5 -41.5 20.1 51.5 2.4 115 131 A C H X S+ 0 0 1 -4,-2.3 4,-2.0 -5,-0.2 5,-0.4 0.919 112.0 50.6 -64.3 -43.1 19.2 53.1 -1.0 116 132 A L H < S+ 0 0 10 -4,-2.7 -2,-0.2 1,-0.2 273,-0.2 0.939 114.4 43.8 -59.5 -48.3 18.7 49.7 -2.6 117 133 A I H < S+ 0 0 48 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.919 111.0 52.9 -64.2 -47.3 16.5 48.6 0.2 118 134 A E H < S- 0 0 38 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.855 89.1-154.9 -60.2 -35.4 14.4 51.8 0.5 119 135 A G < + 0 0 55 -4,-2.0 -3,-0.1 -5,-0.2 -1,-0.1 0.728 52.2 127.2 68.0 24.4 13.7 51.7 -3.2 120 136 A K S S- 0 0 128 -5,-0.4 -1,-0.1 2,-0.1 -4,-0.1 0.399 81.2-112.3 -90.8 1.8 13.1 55.4 -3.7 121 137 A G + 0 0 40 -6,-0.4 2,-0.3 1,-0.2 -5,-0.1 0.683 63.9 156.1 75.9 19.6 15.6 55.5 -6.6 122 138 A E - 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