==== 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 3KR1 . 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) . 20589.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 374 71.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 47 8.9 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 . 2 0.4 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 . 60 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 146 27.7 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 2 7 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 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 . 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 98 0, 0.0 3,-3.1 0, 0.0 4,-0.3 0.000 360.0 360.0 360.0 -51.8 34.1 52.0 31.8 2 25 A S G > + 0 0 105 1,-0.3 3,-1.7 2,-0.2 4,-0.2 0.740 360.0 74.3 -53.7 -22.4 37.7 52.9 32.0 3 26 A A G > S+ 0 0 33 1,-0.3 3,-1.7 2,-0.2 -1,-0.3 0.813 83.5 66.5 -59.1 -29.8 38.1 50.0 29.6 4 27 A Y G X S+ 0 0 9 -3,-3.1 3,-0.6 1,-0.3 -1,-0.3 0.634 82.5 73.8 -70.0 -12.4 36.6 52.4 27.0 5 28 A Q G < S+ 0 0 137 -3,-1.7 -1,-0.3 -4,-0.3 -2,-0.2 0.637 98.4 48.2 -73.6 -11.9 39.7 54.6 27.2 6 29 A R G < S+ 0 0 176 -3,-1.7 198,-0.6 -4,-0.2 197,-0.5 0.475 83.2 128.5-100.7 -8.0 41.5 51.8 25.2 7 30 A F < - 0 0 9 -3,-0.6 195,-0.1 -4,-0.3 75,-0.1 -0.280 45.5-156.6 -54.6 121.5 38.7 51.6 22.6 8 31 A E > - 0 0 76 193,-1.8 4,-2.0 1,-0.2 3,-0.2 -0.904 6.8-157.7-106.6 112.1 40.1 51.9 19.1 9 32 A P H > S+ 0 0 15 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.885 92.9 53.0 -51.8 -46.5 37.6 53.1 16.5 10 33 A R H > S+ 0 0 116 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.899 110.2 47.2 -58.7 -43.0 39.5 51.5 13.5 11 34 A A H > S+ 0 0 16 -3,-0.2 4,-2.3 2,-0.2 191,-0.3 0.844 112.5 50.7 -68.6 -33.5 39.6 48.1 15.2 12 35 A Y H X S+ 0 0 8 -4,-2.0 4,-1.7 189,-0.2 5,-0.3 0.935 111.6 46.4 -67.6 -48.0 35.9 48.4 16.0 13 36 A L H X S+ 0 0 0 -4,-2.9 4,-2.7 1,-0.2 5,-0.2 0.915 114.4 49.3 -58.8 -45.0 34.9 49.3 12.5 14 37 A R H X S+ 0 0 185 -4,-2.4 4,-0.7 -5,-0.2 -2,-0.2 0.923 111.8 48.1 -59.2 -48.2 37.1 46.5 11.2 15 38 A N H < S+ 0 0 28 -4,-2.3 6,-0.2 1,-0.2 -1,-0.2 0.781 128.7 18.4 -64.6 -31.0 35.6 43.9 13.6 16 39 A N H < S+ 0 0 20 -4,-1.7 -2,-0.2 -3,-0.1 -1,-0.2 0.612 128.0 38.5-122.5 -19.0 32.0 44.7 12.9 17 40 A Y H < S+ 0 0 8 -4,-2.7 -3,-0.2 -5,-0.3 -2,-0.1 0.196 100.6 72.7-129.1 15.4 31.6 46.6 9.7 18 41 A A S >X S- 0 0 27 -4,-0.7 4,-1.4 -5,-0.2 3,-0.6 -0.867 92.8 -28.3-120.7 160.2 34.1 45.0 7.4 19 42 A P T 34 S+ 0 0 103 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.111 122.6 23.9 -47.6 147.8 33.8 41.5 5.8 20 43 A P T >4 S+ 0 0 66 0, 0.0 3,-1.8 0, 0.0 219,-0.1 -0.925 139.4 28.9 -79.8 -28.2 32.5 39.1 6.7 21 44 A R T <4 S+ 0 0 17 -3,-0.6 10,-0.5 1,-0.3 -5,-0.1 0.778 125.7 51.4 -60.0 -25.5 30.0 41.0 8.9 22 45 A G T 3< S+ 0 0 10 -4,-1.4 2,-0.7 -8,-0.2 -1,-0.3 0.312 78.3 107.0 -98.6 6.2 30.3 43.9 6.6 23 46 A D < - 0 0 80 -3,-1.8 3,-0.2 -5,-0.3 8,-0.2 -0.799 45.7-176.3 -82.7 117.1 29.6 42.1 3.3 24 47 A L + 0 0 7 -2,-0.7 -1,-0.1 1,-0.2 5,-0.1 0.446 59.2 90.8 -96.0 -1.1 26.1 43.2 2.4 25 48 A a S S+ 0 0 17 2,-0.1 359,-0.2 358,-0.1 -1,-0.2 0.900 74.4 70.1 -65.2 -42.0 25.7 41.0 -0.7 26 49 A N S > S- 0 0 73 -3,-0.2 3,-1.5 1,-0.1 5,-0.1 -0.675 73.8-152.8 -77.4 122.0 24.1 38.1 1.2 27 50 A P T 3 S+ 0 0 75 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.619 90.9 64.1 -73.5 -11.3 20.6 39.2 2.3 28 51 A N T 3 S+ 0 0 125 4,-0.1 -3,-0.0 5,-0.0 -2,-0.0 0.371 82.0 106.8 -92.5 3.5 20.8 36.8 5.3 29 52 A G S <> S- 0 0 8 -3,-1.5 4,-1.6 -5,-0.1 5,-0.1 -0.271 84.1-111.3 -74.7 167.6 23.7 38.6 6.8 30 53 A V H > S+ 0 0 9 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.837 112.6 59.6 -68.9 -34.3 23.4 40.8 9.9 31 54 A G H > S+ 0 0 2 -10,-0.5 4,-2.2 -8,-0.2 5,-0.2 0.967 108.0 40.9 -60.5 -58.5 24.1 44.0 8.0 32 55 A P H > S+ 0 0 3 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.892 113.8 55.6 -58.9 -39.3 21.1 43.7 5.6 33 56 A W H X S+ 0 0 31 -4,-1.6 4,-2.2 1,-0.2 -2,-0.2 0.933 109.4 46.4 -58.3 -47.9 18.9 42.6 8.4 34 57 A K H X S+ 0 0 9 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.919 113.6 47.5 -59.4 -47.2 19.7 45.7 10.5 35 58 A L H X S+ 0 0 3 -4,-2.2 4,-2.9 1,-0.2 -1,-0.2 0.873 110.4 52.8 -63.7 -39.1 19.2 48.1 7.5 36 59 A R H X S+ 0 0 68 -4,-2.4 4,-3.0 -5,-0.2 5,-0.3 0.921 106.4 53.2 -63.1 -45.4 15.9 46.4 6.6 37 60 A C H X S+ 0 0 0 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.923 114.1 41.8 -54.6 -48.0 14.6 46.8 10.2 38 61 A L H X S+ 0 0 3 -4,-1.9 4,-2.3 2,-0.2 5,-0.2 0.941 116.1 48.4 -67.2 -47.5 15.4 50.5 10.1 39 62 A A H X S+ 0 0 6 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.941 112.1 47.7 -59.3 -51.3 14.1 51.1 6.6 40 63 A Q H X S+ 0 0 81 -4,-3.0 4,-0.6 1,-0.2 -1,-0.2 0.885 110.8 52.9 -58.2 -40.6 10.8 49.2 7.1 41 64 A T H >< S+ 0 0 3 -4,-1.7 3,-1.0 -5,-0.3 5,-0.4 0.940 113.3 41.6 -63.3 -48.0 10.2 51.1 10.3 42 65 A F H >< S+ 0 0 2 -4,-2.3 3,-1.5 1,-0.2 5,-0.2 0.817 105.0 65.9 -69.4 -29.8 10.6 54.6 8.8 43 66 A A H 3< S+ 0 0 82 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.656 86.7 71.9 -68.1 -13.3 8.7 53.5 5.7 44 67 A T T << S- 0 0 63 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.791 97.8-137.9 -69.3 -27.3 5.6 53.2 7.9 45 68 A G S < S+ 0 0 46 -3,-1.5 -3,-0.1 -4,-0.3 -2,-0.1 0.428 77.9 105.5 84.4 -0.3 5.5 57.0 8.1 46 69 A E + 0 0 98 -5,-0.4 2,-0.7 1,-0.2 -4,-0.1 0.571 64.4 70.0 -90.5 -10.5 4.7 56.8 11.8 47 70 A V S S+ 0 0 2 -6,-0.3 2,-0.3 -5,-0.2 -1,-0.2 -0.874 74.9 123.3-107.9 99.3 8.2 57.8 12.9 48 71 A S + 0 0 62 -2,-0.7 2,-0.3 105,-0.2 139,-0.1 -0.880 12.9 107.1-148.4 174.7 8.5 61.5 12.0 49 72 A G - 0 0 41 21,-0.8 23,-0.4 -2,-0.3 3,-0.1 -0.971 66.5 -75.1 145.9-159.4 9.3 65.0 13.3 50 73 A R S S+ 0 0 118 -2,-0.3 23,-2.4 1,-0.2 2,-0.4 0.774 99.7 42.3-108.9 -38.8 12.0 67.6 13.2 51 74 A T E +a 73 0A 6 21,-0.2 102,-1.2 20,-0.1 103,-0.7 -0.892 54.7 175.3-121.2 148.1 14.7 66.5 15.6 52 75 A L E -ab 74 154A 0 21,-2.0 23,-2.6 -2,-0.4 2,-0.4 -0.996 13.7-152.8-146.7 143.1 16.4 63.2 16.3 53 76 A I E -ab 75 155A 2 101,-2.0 103,-2.3 -2,-0.3 2,-0.6 -0.979 7.0-149.1-124.6 131.0 19.3 62.1 18.5 54 77 A D E > -ab 76 156A 0 21,-3.1 23,-0.8 -2,-0.4 2,-0.7 -0.870 19.5-145.2 -96.9 117.9 21.5 59.1 17.9 55 78 A I E 3 S- b 0 157A 0 101,-3.4 103,-0.6 -2,-0.6 106,-0.1 -0.743 74.8 -6.9 -92.7 115.5 22.7 57.7 21.3 56 79 A G T 3 S+ 0 0 2 -2,-0.7 -1,-0.3 101,-0.1 22,-0.2 0.963 72.1 175.6 69.4 52.9 26.3 56.4 21.4 57 80 A S X - 0 0 0 20,-3.2 3,-1.7 -3,-0.6 21,-0.2 0.789 11.9-174.1 -58.1 -30.6 26.9 56.7 17.7 58 81 A G T 3 - 0 0 0 19,-0.6 -1,-0.2 1,-0.2 29,-0.2 -0.412 63.8 -41.4 58.8-143.7 30.5 55.5 18.1 59 82 A P T 3 S+ 0 0 3 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.077 114.6 102.4 -99.4 24.5 32.2 55.8 14.7 60 83 A T < + 0 0 0 -3,-1.7 27,-0.0 1,-0.1 40,-0.0 -0.796 37.9 174.7-112.6 153.4 29.3 54.5 12.7 61 84 A V > + 0 0 1 -2,-0.3 3,-2.0 467,-0.1 4,-0.4 0.431 58.9 95.9-129.2 -6.9 26.6 56.2 10.6 62 85 A Y G > S+ 0 0 2 1,-0.3 3,-1.5 2,-0.2 4,-0.4 0.831 76.0 67.8 -55.7 -34.6 24.7 53.3 9.1 63 86 A Q G 3 S+ 0 0 0 1,-0.3 -1,-0.3 2,-0.1 4,-0.1 0.587 104.0 44.5 -65.8 -8.6 22.1 53.5 11.8 64 87 A L G <> S+ 0 0 0 -3,-2.0 4,-2.6 2,-0.1 -1,-0.3 0.441 81.8 98.3-113.9 -3.1 21.0 56.9 10.4 65 88 A L T <4 S+ 0 0 0 -3,-1.5 4,-0.3 -4,-0.4 -2,-0.1 0.914 95.9 30.4 -55.8 -51.2 20.9 56.2 6.7 66 89 A S T >4 S+ 0 0 4 -4,-0.4 3,-0.5 1,-0.2 -1,-0.2 0.742 118.7 58.3 -78.6 -25.2 17.1 55.5 6.5 67 90 A A G >4 S+ 0 0 0 1,-0.2 3,-2.8 2,-0.1 4,-0.5 0.909 87.4 74.1 -70.1 -41.4 16.3 57.9 9.3 68 91 A C G 3< S+ 0 0 0 -4,-2.6 3,-0.4 1,-0.3 -1,-0.2 0.642 87.0 60.9 -56.6 -21.7 17.9 61.0 7.8 69 92 A S G < S+ 0 0 34 -3,-0.5 -1,-0.3 -4,-0.3 -2,-0.1 0.461 107.2 47.4 -84.2 3.0 15.1 61.6 5.2 70 93 A H S < S+ 0 0 47 -3,-2.8 -21,-0.8 1,-0.2 2,-0.4 0.454 108.0 53.3-118.8 -6.7 12.6 62.0 8.1 71 94 A F - 0 0 0 -4,-0.5 -1,-0.2 -3,-0.4 -21,-0.2 -0.971 54.2-166.6-138.7 121.3 14.4 64.4 10.4 72 95 A E S S+ 0 0 104 -2,-0.4 2,-0.5 -23,-0.4 -21,-0.2 0.704 82.9 50.0 -80.8 -20.4 15.8 67.8 9.4 73 96 A D E S-a 51 0A 14 -23,-2.4 -21,-2.0 55,-0.1 2,-0.5 -0.944 70.6-179.9-123.5 110.8 17.9 68.2 12.6 74 97 A I E -ac 52 128A 0 53,-2.8 55,-2.3 -2,-0.5 56,-1.2 -0.929 11.4-164.1-117.2 130.8 20.1 65.3 13.7 75 98 A T E -ac 53 130A 1 -23,-2.6 -21,-3.1 -2,-0.5 2,-0.3 -0.955 6.7-165.0-111.2 124.0 22.3 65.1 16.7 76 99 A M E -ac 54 131A 1 54,-2.7 56,-2.8 -2,-0.5 2,-0.3 -0.790 12.7-174.0-103.7 154.0 25.0 62.4 16.9 77 100 A T E + c 0 132A 0 -23,-0.8 -20,-3.2 -2,-0.3 -19,-0.6 -0.994 15.9 169.3-147.5 147.0 26.8 61.6 20.2 78 101 A D E - c 0 133A 0 54,-1.8 56,-0.6 -2,-0.3 6,-0.0 -0.972 34.1-134.7-153.6 158.6 29.5 59.5 21.8 79 102 A F S S+ 0 0 79 -2,-0.3 2,-0.3 54,-0.3 -1,-0.1 0.826 89.2 71.6 -73.5 -34.4 31.3 59.3 25.1 80 103 A L > - 0 0 7 1,-0.1 4,-1.5 -3,-0.1 5,-0.1 -0.669 67.8-149.9 -93.6 138.3 34.7 59.1 23.4 81 104 A E H > S+ 0 0 98 -2,-0.3 4,-2.0 1,-0.2 5,-0.2 0.864 99.1 59.9 -67.4 -37.8 36.5 61.9 21.7 82 105 A V H > S+ 0 0 64 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.861 106.2 47.7 -61.8 -35.8 38.2 59.5 19.3 83 106 A N H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.898 109.6 51.6 -69.6 -41.8 34.8 58.3 18.0 84 107 A R H X S+ 0 0 46 -4,-1.5 4,-2.1 1,-0.2 -2,-0.2 0.823 110.6 50.2 -64.3 -31.0 33.5 61.9 17.6 85 108 A Q H X S+ 0 0 89 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.906 108.7 51.0 -71.9 -42.0 36.7 62.6 15.6 86 109 A E H X S+ 0 0 9 -4,-1.8 4,-1.2 2,-0.2 12,-0.3 0.917 111.5 47.8 -61.5 -45.1 36.1 59.5 13.4 87 110 A L H >X S+ 0 0 2 -4,-2.7 4,-2.9 1,-0.2 3,-0.9 0.946 108.9 55.5 -56.7 -49.6 32.6 60.7 12.8 88 111 A G H 3X S+ 0 0 18 -4,-2.1 4,-2.7 1,-0.3 6,-0.4 0.888 101.9 56.9 -49.6 -45.3 33.9 64.1 12.0 89 112 A R H 3<>S+ 0 0 64 -4,-2.3 5,-1.6 1,-0.2 8,-0.3 0.831 113.6 38.9 -59.4 -34.9 36.2 62.7 9.4 90 113 A W H X<5S+ 0 0 8 -4,-1.2 3,-0.8 -3,-0.9 -2,-0.2 0.889 114.7 51.4 -82.5 -42.1 33.3 61.1 7.5 91 114 A L H 3<5S+ 0 0 19 -4,-2.9 -2,-0.2 1,-0.3 -3,-0.2 0.880 118.7 38.5 -61.8 -38.1 30.8 64.0 8.0 92 115 A Q T 3<5S- 0 0 131 -4,-2.7 -1,-0.3 -5,-0.3 -2,-0.2 0.401 107.7-125.3 -92.8 0.4 33.4 66.5 6.6 93 116 A E T < 5 + 0 0 139 -3,-0.8 -3,-0.2 -5,-0.2 -4,-0.1 0.800 53.2 164.6 57.8 30.6 34.7 64.0 4.0 94 117 A E > < - 0 0 92 -5,-1.6 3,-1.0 -6,-0.4 2,-0.1 -0.098 45.9 -73.1 -67.5 172.7 38.2 64.5 5.4 95 118 A P T 3 S+ 0 0 119 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 -0.467 116.0 25.1 -70.4 141.6 41.1 62.2 4.6 96 119 A G T 3 S+ 0 0 57 1,-0.2 -6,-0.1 -2,-0.1 -7,-0.1 0.510 82.6 156.1 86.0 5.7 41.1 58.7 6.2 97 120 A A < - 0 0 32 -3,-1.0 -1,-0.2 -8,-0.3 2,-0.1 -0.282 50.2-102.0 -61.1 148.5 37.3 58.6 6.6 98 121 A F - 0 0 32 -12,-0.3 2,-0.9 -39,-0.1 -1,-0.1 -0.446 34.3-116.6 -69.0 147.9 35.7 55.2 6.8 99 122 A N + 0 0 104 1,-0.1 3,-0.3 -2,-0.1 4,-0.1 -0.776 43.2 162.3 -92.7 101.2 34.0 54.0 3.6 100 123 A W >> + 0 0 2 -2,-0.9 4,-2.0 1,-0.2 3,-1.2 0.369 41.8 109.9 -95.8 3.6 30.3 53.7 4.3 101 124 A S H 3> S+ 0 0 14 1,-0.3 4,-2.9 2,-0.2 5,-0.2 0.785 71.7 57.3 -56.8 -33.5 29.2 53.7 0.7 102 125 A M H 3> S+ 0 0 61 -3,-0.3 4,-2.2 2,-0.2 -1,-0.3 0.890 109.8 46.3 -62.2 -38.2 28.3 50.0 0.6 103 126 A Y H <> S+ 0 0 6 -3,-1.2 4,-2.3 2,-0.2 -2,-0.2 0.905 112.0 49.5 -71.6 -42.5 25.8 50.7 3.4 104 127 A S H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.944 111.6 50.3 -58.7 -48.7 24.4 53.8 1.8 105 128 A Q H X S+ 0 0 7 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.925 111.6 47.6 -55.4 -47.2 24.0 51.9 -1.5 106 129 A H H X S+ 0 0 15 -4,-2.2 4,-2.8 1,-0.2 -1,-0.2 0.836 108.5 54.0 -68.8 -31.1 22.2 49.0 0.3 107 130 A A H X S+ 0 0 0 -4,-2.3 4,-3.1 2,-0.2 5,-0.2 0.925 110.4 47.2 -64.5 -43.5 19.9 51.5 2.1 108 131 A C H X>S+ 0 0 1 -4,-2.3 4,-1.6 2,-0.2 5,-0.6 0.925 112.1 51.4 -61.8 -44.1 18.9 53.0 -1.2 109 132 A L H <5S+ 0 0 17 -4,-2.6 3,-0.3 -5,-0.2 -2,-0.2 0.965 115.5 40.9 -52.2 -57.2 18.4 49.4 -2.6 110 133 A I H <5S+ 0 0 55 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.885 110.7 54.7 -63.8 -44.9 16.2 48.5 0.3 111 134 A E H <5S- 0 0 34 -4,-3.1 -1,-0.2 -5,-0.2 -2,-0.2 0.806 92.2-152.3 -63.6 -28.6 14.2 51.8 0.5 112 135 A G T <5 + 0 0 57 -4,-1.6 -3,-0.1 -3,-0.3 -2,-0.1 0.886 55.3 123.5 59.6 46.3 13.3 51.3 -3.1 113 136 A K S - 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