==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 27-FEB-05 1YZ3 . COMPND 2 MOLECULE: PHENYLETHANOLAMINE N-METHYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Q.WU,C.L.GEE,F.LIN,J.L.MARTIN,G.L.GRUNEWALD,M.J.MCLEISH . 532 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20252.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 369 69.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 47 8.8 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 . 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 . 32 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 62 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 147 27.6 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 1 0 0 1 2 1 7 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 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 . 4 0 0 2 0 1 0 2 1 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 18 A P 0 0 111 0, 0.0 175,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 168.4 26.8 52.2 41.1 2 19 A G > + 0 0 72 1,-0.1 3,-0.7 2,-0.1 0, 0.0 0.472 360.0 134.5 66.4 -4.5 30.5 51.6 40.7 3 20 A Q T > + 0 0 32 1,-0.3 2,-2.4 2,-0.1 3,-2.1 0.827 39.5 91.0 -40.0 -45.6 29.3 51.1 37.2 4 21 A A T 3> + 0 0 63 1,-0.3 4,-1.1 2,-0.2 -1,-0.3 0.270 53.4 95.2 -42.3 10.4 32.2 53.2 36.0 5 22 A A H <> S+ 0 0 77 -2,-2.4 4,-1.1 -3,-0.7 -1,-0.3 0.814 86.8 52.3 -72.3 -28.3 34.3 50.0 35.6 6 23 A V H <> S+ 0 0 13 -3,-2.1 4,-2.4 2,-0.2 3,-0.5 0.931 98.0 62.7 -68.8 -48.9 33.1 50.3 32.0 7 24 A A H 4 S+ 0 0 30 1,-0.3 -1,-0.2 2,-0.2 4,-0.2 0.856 104.7 48.0 -44.5 -44.7 34.2 53.9 31.6 8 25 A S H >< S+ 0 0 81 -4,-1.1 3,-1.2 1,-0.2 -1,-0.3 0.873 108.8 53.2 -66.8 -40.0 37.8 52.8 32.2 9 26 A A H >< S+ 0 0 27 -4,-1.1 3,-1.8 -3,-0.5 -2,-0.2 0.901 102.7 58.2 -62.7 -42.6 37.6 50.0 29.7 10 27 A Y T 3< S+ 0 0 1 -4,-2.4 3,-0.4 1,-0.3 -1,-0.3 0.497 86.2 78.9 -68.0 -3.0 36.3 52.3 26.9 11 28 A Q T < S+ 0 0 123 -3,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.624 97.6 44.7 -79.5 -10.8 39.4 54.4 27.3 12 29 A R S < S+ 0 0 167 -3,-1.8 197,-0.7 -4,-0.2 198,-0.6 0.395 82.6 128.5-109.7 0.9 41.1 51.8 25.2 13 30 A F B -A 208 0A 7 -3,-0.4 195,-0.2 -4,-0.2 75,-0.1 -0.413 46.9-155.9 -60.6 115.6 38.3 51.5 22.7 14 31 A E > - 0 0 78 193,-2.2 4,-2.0 -2,-0.3 3,-0.5 -0.870 6.6-155.9-100.6 110.4 39.8 51.9 19.2 15 32 A P H > S+ 0 0 15 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.854 91.9 53.7 -51.2 -41.0 37.2 53.1 16.7 16 33 A R H > S+ 0 0 124 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.876 109.8 45.0 -64.8 -40.9 39.2 51.6 13.7 17 34 A A H > S+ 0 0 17 -3,-0.5 4,-2.3 2,-0.2 -1,-0.2 0.839 112.9 53.1 -71.9 -32.0 39.4 48.1 15.2 18 35 A Y H X S+ 0 0 9 -4,-2.0 4,-1.6 2,-0.2 5,-0.3 0.925 111.1 45.2 -66.5 -44.8 35.7 48.4 16.1 19 36 A L H X S+ 0 0 0 -4,-2.4 4,-3.0 1,-0.2 -2,-0.2 0.906 115.2 48.5 -64.3 -42.5 34.7 49.3 12.5 20 37 A R H < S+ 0 0 179 -4,-2.2 4,-0.4 1,-0.2 -2,-0.2 0.833 112.0 48.5 -67.7 -35.9 37.0 46.6 11.2 21 38 A N H < S+ 0 0 28 -4,-2.3 -1,-0.2 -5,-0.1 6,-0.2 0.773 128.6 19.9 -77.0 -26.5 35.5 43.9 13.5 22 39 A N H < S+ 0 0 21 -4,-1.6 -2,-0.2 -5,-0.1 -3,-0.2 0.655 128.4 36.7-119.6 -19.2 31.9 44.7 12.8 23 40 A Y S < S+ 0 0 9 -4,-3.0 -3,-0.2 -5,-0.3 -2,-0.1 0.143 101.7 72.3-125.1 22.4 31.5 46.6 9.6 24 41 A A S > S- 0 0 26 -4,-0.4 4,-2.0 1,-0.1 3,-0.5 -0.844 93.1 -25.6-124.8 161.4 34.1 45.0 7.3 25 42 A P T 4 S+ 0 0 103 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.115 121.5 23.2 -51.8 149.2 33.8 41.5 5.9 26 43 A P T >4 S+ 0 0 62 0, 0.0 3,-1.8 0, 0.0 219,-0.1 -0.943 141.5 26.4 -78.0 -28.9 32.3 39.1 6.7 27 44 A R T 34 S+ 0 0 15 -3,-0.5 10,-0.5 1,-0.3 -5,-0.1 0.798 123.3 56.5 -62.1 -27.1 29.8 41.0 8.8 28 45 A G T 3< S+ 0 0 8 -4,-2.0 2,-0.8 -8,-0.2 -1,-0.3 0.324 81.4 102.8 -87.3 6.3 30.4 44.0 6.5 29 46 A D < - 0 0 67 -3,-1.8 3,-0.5 -5,-0.3 8,-0.2 -0.830 46.4-177.3 -93.6 113.3 29.5 42.1 3.4 30 47 A L + 0 0 17 -2,-0.8 -1,-0.1 1,-0.2 5,-0.1 0.346 63.0 90.1 -91.7 6.3 26.0 43.1 2.3 31 48 A C S S+ 0 0 111 2,-0.0 -1,-0.2 3,-0.0 3,-0.0 0.838 73.6 73.9 -70.9 -32.9 25.8 40.8 -0.7 32 49 A N S > S- 0 0 59 -3,-0.5 3,-1.5 1,-0.2 5,-0.1 -0.717 71.8-155.9 -81.9 118.5 24.4 38.0 1.5 33 50 A P T 3 S+ 0 0 77 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.721 92.4 57.2 -69.2 -15.7 20.7 38.9 2.2 34 51 A N T 3 S+ 0 0 111 4,-0.1 -4,-0.0 5,-0.0 -3,-0.0 0.400 85.3 107.2 -93.5 2.3 20.8 36.7 5.3 35 52 A G S <> S- 0 0 5 -3,-1.5 4,-1.8 -6,-0.1 5,-0.1 -0.244 82.5-111.6 -74.6 169.0 23.8 38.5 6.9 36 53 A V H > S+ 0 0 8 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.859 112.2 60.2 -70.4 -36.3 23.4 40.9 9.9 37 54 A G H > S+ 0 0 0 -10,-0.5 4,-2.1 -8,-0.2 5,-0.2 0.974 110.0 40.5 -55.4 -58.4 24.2 44.0 7.9 38 55 A P H > S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.926 113.8 55.1 -56.4 -46.9 21.2 43.6 5.5 39 56 A W H X S+ 0 0 5 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.913 108.3 47.5 -54.3 -48.4 18.9 42.4 8.3 40 57 A K H X S+ 0 0 8 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.935 112.1 49.7 -60.5 -46.8 19.6 45.5 10.4 41 58 A L H X S+ 0 0 3 -4,-2.1 4,-3.0 -5,-0.2 5,-0.2 0.871 109.4 51.1 -61.0 -39.5 19.0 47.9 7.4 42 59 A R H X S+ 0 0 42 -4,-2.5 4,-3.0 2,-0.2 5,-0.3 0.928 107.7 54.4 -63.4 -44.3 15.7 46.2 6.5 43 60 A C H X S+ 0 0 0 -4,-2.2 4,-1.5 -5,-0.2 -2,-0.2 0.929 115.3 38.2 -54.7 -49.2 14.5 46.6 10.1 44 61 A L H X S+ 0 0 4 -4,-2.1 4,-2.2 2,-0.2 5,-0.2 0.949 117.3 49.7 -67.8 -49.8 15.2 50.3 10.1 45 62 A A H X S+ 0 0 8 -4,-3.0 4,-0.9 1,-0.2 -2,-0.2 0.870 111.5 48.0 -58.2 -42.8 14.0 50.9 6.5 46 63 A Q H X S+ 0 0 87 -4,-3.0 4,-0.8 -5,-0.2 -1,-0.2 0.887 110.3 52.0 -68.2 -39.3 10.7 49.0 6.9 47 64 A T H >< S+ 0 0 3 -4,-1.5 3,-1.9 -5,-0.3 5,-0.5 0.990 113.7 41.7 -59.7 -61.2 9.9 50.8 10.2 48 65 A F H >< S+ 0 0 3 -4,-2.2 3,-0.6 1,-0.3 -1,-0.2 0.670 106.3 67.5 -60.2 -17.5 10.4 54.3 8.7 49 66 A A H 3< S+ 0 0 80 -4,-0.9 -1,-0.3 -5,-0.2 -2,-0.2 0.746 86.8 66.4 -75.7 -22.6 8.6 53.0 5.6 50 67 A T T << S- 0 0 74 -3,-1.9 -1,-0.2 -4,-0.8 -2,-0.2 0.744 102.3-134.3 -68.5 -23.2 5.3 52.7 7.5 51 68 A G S < S+ 0 0 47 -3,-0.6 -3,-0.1 -4,-0.4 -2,-0.1 0.651 76.4 109.7 79.0 16.4 5.3 56.5 7.8 52 69 A E + 0 0 100 -5,-0.5 2,-0.8 1,-0.2 -4,-0.1 0.559 62.1 72.9 -98.0 -11.6 4.5 56.5 11.5 53 70 A V S S+ 0 0 0 -6,-0.3 2,-0.3 -5,-0.1 -1,-0.2 -0.860 71.6 127.2-106.6 98.9 7.9 57.7 12.7 54 71 A S + 0 0 69 -2,-0.8 2,-0.3 105,-0.1 23,-0.1 -0.965 13.2 95.7-148.9 164.0 8.2 61.4 11.7 55 72 A G - 0 0 30 21,-1.1 23,-0.4 -2,-0.3 2,-0.4 -0.981 66.5 -66.9 153.3-160.9 8.9 64.8 13.0 56 73 A R S S+ 0 0 127 -2,-0.3 103,-0.4 21,-0.2 104,-0.1 -0.921 97.6 32.7-123.1 146.1 11.7 67.4 13.3 57 74 A T - 0 0 16 -2,-0.4 102,-1.3 101,-0.1 103,-0.5 0.662 58.2-175.5 72.7 127.3 14.7 66.5 15.5 58 75 A L E -bc 80 160B 0 21,-1.6 23,-3.1 101,-0.2 2,-0.4 -0.973 10.8-150.3-151.9 137.3 16.0 63.0 16.1 59 76 A I E -bc 81 161B 1 101,-1.8 103,-2.6 -2,-0.3 2,-0.7 -0.953 3.1-152.1-119.7 135.2 18.7 61.9 18.5 60 77 A D E > -bc 82 162B 0 21,-2.8 23,-1.3 -2,-0.4 3,-0.6 -0.899 17.2-146.3-107.6 107.9 21.1 58.9 18.1 61 78 A I E 3 S- c 0 163B 0 101,-2.2 103,-0.5 -2,-0.7 106,-0.1 -0.599 76.0 -6.0 -77.2 121.7 22.2 57.6 21.5 62 79 A G T 3 S+ 0 0 1 -2,-0.4 -1,-0.2 101,-0.1 22,-0.2 0.961 71.7 175.2 59.9 56.3 25.8 56.2 21.5 63 80 A S X - 0 0 0 20,-3.2 3,-1.9 -3,-0.6 21,-0.2 0.723 13.0-172.6 -63.9 -25.1 26.5 56.5 17.8 64 81 A G T 3 - 0 0 0 19,-0.6 -1,-0.2 1,-0.2 29,-0.2 -0.353 62.7 -41.8 59.1-145.0 30.1 55.4 18.2 65 82 A P T 3 S+ 0 0 3 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.124 114.4 101.5-102.4 24.0 31.9 55.8 14.9 66 83 A T < + 0 0 0 -3,-1.9 27,-0.0 1,-0.1 26,-0.0 -0.806 38.5 175.2-113.3 150.9 29.0 54.5 12.8 67 84 A V > + 0 0 0 -2,-0.3 3,-2.7 2,-0.1 4,-0.4 0.516 59.4 96.7-123.5 -13.7 26.3 56.1 10.6 68 85 A Y G > S+ 0 0 1 1,-0.3 3,-1.4 2,-0.2 4,-0.4 0.818 75.9 67.5 -47.8 -37.4 24.5 53.2 9.0 69 86 A Q G 3 S+ 0 0 1 1,-0.3 -1,-0.3 2,-0.1 4,-0.2 0.529 104.8 43.6 -65.0 -4.4 21.8 53.3 11.7 70 87 A L G <> S+ 0 0 0 -3,-2.7 4,-3.1 2,-0.1 -1,-0.3 0.432 81.6 99.2-119.3 -1.7 20.7 56.7 10.3 71 88 A L T <4 S+ 0 0 0 -3,-1.4 -2,-0.1 -4,-0.4 4,-0.1 0.904 96.7 30.5 -54.3 -48.6 20.7 56.0 6.5 72 89 A S T >4 S+ 0 0 4 -4,-0.4 3,-1.0 1,-0.2 -1,-0.2 0.851 120.0 56.8 -77.6 -35.2 16.9 55.3 6.3 73 90 A A G >> S+ 0 0 1 1,-0.2 3,-2.0 -4,-0.2 4,-0.6 0.850 87.3 73.9 -64.9 -39.3 16.2 57.7 9.1 74 91 A C G 3< S+ 0 0 0 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.1 0.547 88.3 63.3 -57.4 -7.1 17.8 60.8 7.7 75 92 A S G <4 S+ 0 0 31 -3,-1.0 -1,-0.3 -5,-0.1 -2,-0.1 0.193 105.3 44.1-102.8 17.7 14.9 61.2 5.2 76 93 A H T <4 S+ 0 0 53 -3,-2.0 -21,-1.1 1,-0.2 2,-0.4 0.407 109.0 55.5-133.0 -8.7 12.3 61.8 7.9 77 94 A F < - 0 0 0 -4,-0.6 -1,-0.2 -23,-0.1 -21,-0.2 -0.977 52.8-168.1-136.1 121.9 14.1 64.2 10.3 78 95 A E S S+ 0 0 89 -23,-0.4 2,-0.5 -2,-0.4 -22,-0.1 0.667 83.7 51.4 -79.4 -20.0 15.6 67.5 9.3 79 96 A D + 0 0 12 55,-0.1 -21,-1.6 76,-0.0 2,-0.5 -0.931 70.0 177.7-123.3 105.7 17.5 68.0 12.6 80 97 A I E -bd 58 134B 0 53,-3.2 55,-1.8 -2,-0.5 56,-0.8 -0.932 10.2-167.1-113.6 127.1 19.6 65.0 13.6 81 98 A T E -bd 59 136B 1 -23,-3.1 -21,-2.8 -2,-0.5 2,-0.3 -0.948 6.6-164.6-115.0 116.5 21.8 65.0 16.7 82 99 A M E -bd 60 137B 0 54,-1.9 56,-2.1 -2,-0.6 2,-0.3 -0.682 12.5-172.2 -96.2 154.9 24.4 62.2 17.0 83 100 A T E + d 0 138B 0 -23,-1.3 -20,-3.2 -2,-0.3 -19,-0.6 -0.965 14.4 164.7-146.7 161.9 26.1 61.4 20.3 84 101 A D - 0 0 0 54,-1.7 56,-0.4 -2,-0.3 6,-0.1 -0.878 36.6-127.5-177.8 147.6 28.8 59.4 22.0 85 102 A F S S+ 0 0 62 -2,-0.3 2,-0.2 54,-0.2 -1,-0.1 0.902 88.3 68.0 -61.7 -51.0 30.8 59.1 25.2 86 103 A L > - 0 0 8 1,-0.1 4,-1.6 53,-0.1 5,-0.1 -0.547 65.9-149.0 -82.8 139.8 34.3 59.0 23.7 87 104 A E H > S+ 0 0 121 -2,-0.2 4,-1.7 1,-0.2 5,-0.2 0.827 99.5 62.1 -71.1 -32.0 35.9 62.0 22.0 88 105 A V H > S+ 0 0 59 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.901 105.0 46.5 -59.5 -42.6 37.8 59.6 19.7 89 106 A N H > S+ 0 0 0 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.922 109.2 53.3 -65.5 -45.6 34.5 58.3 18.3 90 107 A R H X S+ 0 0 55 -4,-1.6 4,-1.5 1,-0.2 -1,-0.2 0.805 109.1 51.1 -59.9 -30.1 33.1 61.8 17.8 91 108 A Q H X S+ 0 0 94 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.845 108.6 50.0 -76.2 -34.3 36.3 62.6 15.8 92 109 A E H X S+ 0 0 8 -4,-1.6 4,-1.2 2,-0.2 12,-0.3 0.914 109.9 51.2 -69.2 -41.4 35.8 59.6 13.6 93 110 A L H X S+ 0 0 1 -4,-2.8 4,-2.6 1,-0.2 3,-0.4 0.896 110.2 50.8 -59.2 -40.3 32.2 60.6 13.0 94 111 A G H X S+ 0 0 16 -4,-1.5 4,-3.1 1,-0.2 -1,-0.2 0.878 102.1 59.5 -65.8 -38.8 33.5 64.0 12.1 95 112 A R H <>S+ 0 0 68 -4,-2.0 5,-2.6 1,-0.2 -1,-0.2 0.815 112.8 39.5 -60.5 -29.7 36.0 62.6 9.6 96 113 A W H ><5S+ 0 0 9 -4,-1.2 3,-0.7 -3,-0.4 -2,-0.2 0.877 116.2 49.0 -85.9 -42.5 33.1 61.0 7.7 97 114 A L H 3<5S+ 0 0 19 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.910 117.3 41.0 -63.6 -42.1 30.7 64.0 8.0 98 115 A Q T 3<5S- 0 0 129 -4,-3.1 -1,-0.2 -5,-0.2 -2,-0.2 0.409 109.4-125.2 -86.5 3.2 33.4 66.5 6.9 99 116 A E T < 5 + 0 0 132 -3,-0.7 -3,-0.2 -5,-0.2 -4,-0.1 0.934 52.5 165.0 51.2 52.6 34.6 64.0 4.2 100 117 A E > < - 0 0 90 -5,-2.6 3,-1.0 -6,-0.2 -1,-0.1 -0.372 43.8 -75.7 -92.1 172.6 38.2 64.2 5.6 101 118 A P T 3 S+ 0 0 122 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.334 115.4 24.0 -67.5 152.4 41.1 61.9 4.9 102 119 A G T 3 S+ 0 0 61 1,-0.2 2,-0.2 -3,-0.1 -6,-0.1 0.729 86.2 149.4 66.7 21.1 41.1 58.5 6.6 103 120 A A < - 0 0 32 -3,-1.0 -1,-0.2 -8,-0.2 2,-0.2 -0.560 54.3 -96.9 -84.1 153.2 37.3 58.5 7.0 104 121 A F - 0 0 30 -12,-0.3 2,-1.0 -2,-0.2 -1,-0.1 -0.457 31.1-123.0 -72.7 139.8 35.4 55.2 7.0 105 122 A N + 0 0 104 -2,-0.2 3,-0.3 1,-0.2 4,-0.1 -0.715 37.8 164.9 -87.7 101.3 33.8 54.1 3.7 106 123 A W >> + 0 0 1 -2,-1.0 4,-2.1 1,-0.2 3,-0.6 0.314 41.8 111.2 -94.7 5.8 30.1 53.5 4.4 107 124 A S H 3> S+ 0 0 9 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.833 71.4 57.3 -51.5 -40.8 29.2 53.4 0.7 108 125 A M H 3> S+ 0 0 93 -3,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.928 111.3 43.5 -56.7 -46.2 28.3 49.7 0.7 109 126 A Y H <> S+ 0 0 5 -3,-0.6 4,-2.5 2,-0.2 -1,-0.2 0.868 112.5 52.1 -67.0 -39.5 25.7 50.3 3.5 110 127 A S H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.923 110.9 48.1 -62.9 -45.4 24.4 53.5 1.8 111 128 A Q H X S+ 0 0 72 -4,-2.9 4,-2.7 2,-0.2 -2,-0.2 0.924 111.8 49.0 -61.4 -45.9 23.9 51.6 -1.5 112 129 A H H X S+ 0 0 30 -4,-2.2 4,-2.9 -5,-0.2 -1,-0.2 0.917 110.4 51.3 -62.4 -41.5 22.1 48.8 0.3 113 130 A A H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.932 112.1 46.1 -60.1 -45.9 19.9 51.2 2.1 114 131 A C H X>S+ 0 0 12 -4,-2.6 4,-1.2 1,-0.2 5,-0.7 0.874 112.6 52.0 -63.7 -37.3 19.0 52.9 -1.2 115 132 A L H <5S+ 0 0 130 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.945 112.5 44.6 -63.8 -48.0 18.4 49.4 -2.7 116 133 A I H <5S+ 0 0 50 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.924 109.4 52.8 -63.4 -50.3 16.1 48.4 0.1 117 134 A E H <5S- 0 0 36 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.812 94.0-151.4 -58.0 -29.2 14.0 51.6 0.3 118 135 A G T <5 + 0 0 59 -4,-1.2 -3,-0.1 -5,-0.2 -2,-0.1 0.879 52.9 128.4 59.2 44.6 13.4 51.2 -3.5 119 136 A K S - 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