==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 06-MAY-09 3HCC . COMPND 2 MOLECULE: PHENYLETHANOLAMINE N-METHYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR N.DRINKWATER,J.L.MARTIN,C.L.GEE,M.PURI . 529 4 2 0 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20585.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 374 70.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 50 9.5 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 . 35 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 64 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 144 27.2 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 1 1 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 . 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 23 A V >> 0 0 66 0, 0.0 4,-2.4 0, 0.0 3,-0.7 0.000 360.0 360.0 360.0 -49.0 34.7 50.4 32.8 2 24 A A T 34 + 0 0 50 1,-0.3 4,-0.0 2,-0.2 163,-0.0 0.798 360.0 51.1 -51.7 -31.2 35.5 54.0 32.1 3 25 A S T >4 S+ 0 0 99 2,-0.2 3,-0.9 1,-0.2 -1,-0.3 0.834 107.1 52.3 -76.1 -34.9 39.2 53.0 32.6 4 26 A A G X4 S+ 0 0 31 -3,-0.7 3,-2.0 1,-0.2 4,-0.2 0.920 101.5 59.8 -65.3 -44.2 38.9 50.2 30.1 5 27 A Y G 3< S+ 0 0 1 -4,-2.4 3,-0.4 1,-0.3 -1,-0.2 0.513 86.8 80.1 -65.1 -1.7 37.5 52.4 27.4 6 28 A Q G < S+ 0 0 125 -3,-0.9 -1,-0.3 -5,-0.2 -2,-0.2 0.551 94.5 44.3 -83.6 -7.7 40.7 54.5 27.7 7 29 A R S < S+ 0 0 168 -3,-2.0 198,-0.7 -4,-0.1 197,-0.5 0.324 84.0 132.6-111.9 2.3 42.6 51.9 25.6 8 30 A F - 0 0 9 -3,-0.4 195,-0.1 -4,-0.2 75,-0.1 -0.363 46.0-152.8 -57.4 121.0 39.7 51.7 23.1 9 31 A E >> - 0 0 79 193,-2.1 4,-2.3 -2,-0.2 3,-0.5 -0.877 4.4-158.9-104.0 106.2 41.0 52.0 19.5 10 32 A P H 3> S+ 0 0 14 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.867 92.0 49.1 -48.1 -47.0 38.4 53.5 17.1 11 33 A R H 3> S+ 0 0 110 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.835 110.7 49.5 -69.7 -32.1 40.1 52.1 14.0 12 34 A A H <> S+ 0 0 17 -3,-0.5 4,-2.1 2,-0.2 191,-0.2 0.858 112.9 48.8 -71.2 -35.0 40.4 48.6 15.4 13 35 A Y H X S+ 0 0 10 -4,-2.3 4,-1.7 189,-0.2 5,-0.3 0.940 111.8 47.2 -67.0 -49.2 36.7 48.7 16.4 14 36 A L H X S+ 0 0 2 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.891 114.2 50.1 -57.2 -39.0 35.6 49.9 13.0 15 37 A R H X S+ 0 0 180 -4,-1.9 4,-0.6 -5,-0.2 -1,-0.2 0.885 111.0 47.1 -67.5 -42.2 37.8 47.2 11.5 16 38 A N H < S+ 0 0 31 -4,-2.1 6,-0.2 1,-0.1 -1,-0.2 0.765 129.2 19.5 -69.9 -29.2 36.4 44.4 13.7 17 39 A N H < S+ 0 0 22 -4,-1.7 -2,-0.2 -5,-0.1 -3,-0.2 0.591 126.6 40.4-122.6 -18.2 32.8 45.3 13.2 18 40 A Y H < S+ 0 0 8 -4,-2.3 -3,-0.2 -5,-0.3 -2,-0.1 0.253 101.7 68.4-128.9 11.5 32.3 47.4 10.1 19 41 A A S >X S- 0 0 28 -4,-0.6 4,-1.7 -5,-0.2 3,-0.7 -0.857 94.3 -25.7-121.1 162.1 34.7 45.8 7.6 20 42 A P T 34 S+ 0 0 98 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.107 122.2 23.9 -48.4 145.9 34.3 42.3 6.0 21 43 A P T >4 S+ 0 0 53 0, 0.0 3,-1.1 0, 0.0 -4,-0.1 -0.964 142.6 25.0 -79.5 -24.3 32.9 39.8 6.9 22 44 A R T <4 S+ 0 0 16 -3,-0.7 10,-0.4 1,-0.3 -5,-0.1 0.785 126.7 51.9 -71.0 -26.3 30.6 41.8 9.2 23 45 A G T 3< S+ 0 0 9 -4,-1.7 2,-0.9 -8,-0.2 -1,-0.3 0.361 82.6 104.4 -89.7 2.6 31.0 44.8 7.0 24 46 A D < + 0 0 81 -3,-1.1 3,-0.5 -5,-0.3 8,-0.2 -0.781 46.8 179.6 -85.2 106.6 30.2 42.8 3.9 25 47 A L + 0 0 6 -2,-0.9 -1,-0.1 1,-0.2 5,-0.1 0.420 56.9 93.1 -90.9 1.7 26.7 44.0 3.1 26 48 A a S S+ 0 0 22 1,-0.1 360,-0.2 3,-0.1 -1,-0.2 0.849 72.6 71.2 -66.8 -36.1 26.2 41.9 0.0 27 49 A N S > S- 0 0 87 -3,-0.5 3,-1.8 1,-0.1 -1,-0.1 -0.754 71.7-151.4 -87.2 120.0 24.6 39.0 1.9 28 50 A P T 3 S+ 0 0 76 0, 0.0 -1,-0.1 0, 0.0 6,-0.1 0.740 93.2 65.4 -56.9 -25.7 21.1 39.8 3.1 29 51 A N T 3 S+ 0 0 123 4,-0.1 2,-0.1 5,-0.0 -3,-0.1 0.295 82.0 104.8 -85.4 9.1 21.5 37.4 6.0 30 52 A G S <> S- 0 0 11 -3,-1.8 4,-1.6 -5,-0.1 5,-0.1 -0.407 81.5-114.5 -88.6 167.9 24.3 39.4 7.6 31 53 A V H > S+ 0 0 11 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.765 111.1 58.4 -73.9 -26.3 24.0 41.6 10.7 32 54 A G H > S+ 0 0 2 -10,-0.4 4,-2.3 -8,-0.2 5,-0.3 0.969 107.6 43.1 -67.9 -55.9 24.7 44.8 8.8 33 55 A P H > S+ 0 0 4 0, 0.0 4,-2.5 0, 0.0 -2,-0.2 0.903 113.4 55.4 -56.4 -39.7 21.8 44.5 6.4 34 56 A W H X S+ 0 0 29 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.919 108.3 46.2 -60.2 -47.4 19.6 43.4 9.3 35 57 A K H X S+ 0 0 10 -4,-2.0 4,-2.3 2,-0.2 5,-0.2 0.946 114.4 47.1 -60.6 -49.1 20.4 46.5 11.4 36 58 A L H X S+ 0 0 3 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.875 111.2 53.4 -61.0 -37.9 19.8 48.9 8.5 37 59 A R H X S+ 0 0 76 -4,-2.5 4,-2.8 -5,-0.3 5,-0.3 0.943 107.9 49.2 -63.0 -48.6 16.6 47.1 7.6 38 60 A C H X S+ 0 0 1 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.951 115.7 43.3 -53.9 -53.4 15.2 47.5 11.2 39 61 A L H X S+ 0 0 5 -4,-2.3 4,-2.1 1,-0.2 5,-0.2 0.907 115.2 48.7 -60.5 -45.2 16.1 51.2 11.2 40 62 A A H X S+ 0 0 7 -4,-2.8 4,-1.4 -5,-0.2 -1,-0.2 0.912 112.4 47.4 -63.5 -44.1 14.8 51.8 7.7 41 63 A Q H < S+ 0 0 90 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.899 110.5 52.2 -65.8 -41.7 11.5 50.0 8.2 42 64 A T H >< S+ 0 0 2 -4,-2.1 3,-1.6 -5,-0.3 5,-0.5 0.951 112.9 42.4 -61.8 -52.1 10.8 51.8 11.5 43 65 A F H >< S+ 0 0 4 -4,-2.1 3,-1.5 1,-0.3 5,-0.3 0.774 104.1 70.0 -64.6 -24.5 11.3 55.3 10.1 44 66 A A T 3< S+ 0 0 81 -4,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.482 83.9 70.2 -73.3 -3.2 9.3 54.2 7.1 45 67 A T T < S- 0 0 56 -3,-1.6 -1,-0.3 -4,-0.2 -2,-0.2 0.680 97.6-137.0 -82.4 -19.9 6.2 54.1 9.2 46 68 A G S < S+ 0 0 49 -3,-1.5 -2,-0.1 -4,-0.3 -3,-0.1 0.548 79.1 107.5 72.8 8.2 6.2 57.8 9.4 47 69 A E + 0 0 93 -5,-0.5 2,-0.6 1,-0.2 -4,-0.1 0.468 62.9 69.5 -96.1 -4.8 5.4 57.5 13.1 48 70 A V S S+ 0 0 1 -5,-0.3 2,-0.3 -6,-0.2 -2,-0.2 -0.903 73.3 125.2-115.7 100.6 8.9 58.6 14.2 49 71 A S + 0 0 67 -2,-0.6 2,-0.3 105,-0.1 23,-0.1 -0.871 11.9 110.8-147.4 174.8 9.3 62.3 13.4 50 72 A G - 0 0 39 21,-0.8 23,-0.4 -2,-0.3 3,-0.1 -0.986 63.6 -82.3 150.2-157.5 10.1 65.7 14.8 51 73 A R S S+ 0 0 117 -2,-0.3 23,-2.6 1,-0.2 2,-0.3 0.739 99.4 48.6-114.1 -44.2 12.8 68.3 14.7 52 74 A T E +a 74 0A 9 21,-0.2 102,-0.8 100,-0.1 103,-0.7 -0.781 57.2 176.0-105.5 146.3 15.5 67.2 17.2 53 75 A L E -ab 75 155A 0 21,-2.1 23,-2.6 -2,-0.3 2,-0.4 -0.993 11.9-157.4-146.2 141.2 17.2 63.8 17.5 54 76 A I E -ab 76 156A 0 101,-2.1 103,-2.4 -2,-0.3 2,-0.6 -0.981 5.2-154.5-126.0 129.6 20.1 62.6 19.7 55 77 A D E > -ab 77 157A 0 21,-3.0 23,-0.9 -2,-0.4 3,-0.5 -0.900 18.7-146.7-102.6 117.2 22.3 59.6 19.1 56 78 A I E 3 S- b 0 158A 0 101,-3.2 103,-0.6 -2,-0.6 106,-0.1 -0.732 73.7 -2.5 -94.3 120.4 23.7 58.1 22.3 57 79 A G T 3 S+ 0 0 1 -2,-0.5 -1,-0.3 101,-0.1 22,-0.2 0.957 72.3 175.4 68.9 51.5 27.2 56.6 22.4 58 80 A S X - 0 0 0 20,-2.6 3,-1.4 -3,-0.5 21,-0.2 0.808 11.7-174.5 -56.9 -34.5 27.8 57.1 18.7 59 81 A G T 3 - 0 0 0 19,-0.6 -1,-0.2 1,-0.2 29,-0.2 -0.437 62.2 -41.6 63.9-146.5 31.3 55.9 18.9 60 82 A P T 3 S+ 0 0 3 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.186 115.3 99.2 -94.9 16.0 33.1 56.3 15.6 61 83 A T < + 0 0 0 -3,-1.4 27,-0.0 1,-0.1 40,-0.0 -0.732 40.1 176.4-111.1 155.1 30.1 55.1 13.5 62 84 A V > + 0 0 0 -2,-0.3 3,-2.2 468,-0.1 4,-0.4 0.450 59.8 97.3-127.3 -11.2 27.4 56.9 11.6 63 85 A Y G > S+ 0 0 1 1,-0.3 3,-1.2 2,-0.2 4,-0.4 0.790 72.7 70.7 -53.3 -31.9 25.4 54.0 10.0 64 86 A Q G 3 S+ 0 0 2 1,-0.2 -1,-0.3 -6,-0.1 4,-0.1 0.525 103.3 42.5 -67.8 -2.3 22.9 54.2 12.8 65 87 A L G <> S+ 0 0 0 -3,-2.2 4,-3.0 2,-0.1 -1,-0.2 0.412 80.0 99.0-123.5 -1.4 21.6 57.5 11.4 66 88 A L T <4 S+ 0 0 0 -3,-1.2 4,-0.3 -4,-0.4 -2,-0.1 0.915 97.5 32.4 -57.0 -47.1 21.4 57.0 7.7 67 89 A S T >4 S+ 0 0 5 -4,-0.4 3,-0.6 1,-0.2 -1,-0.2 0.842 119.7 55.2 -76.1 -34.0 17.7 56.2 7.7 68 90 A A G >4 S+ 0 0 0 1,-0.2 3,-2.8 2,-0.1 4,-0.4 0.904 89.6 73.7 -63.9 -42.3 17.0 58.6 10.6 69 91 A C G >< S+ 0 0 0 -4,-3.0 3,-0.7 1,-0.3 -1,-0.2 0.686 87.1 60.8 -56.1 -26.0 18.6 61.7 9.1 70 92 A S G < S+ 0 0 32 -3,-0.6 -1,-0.3 -4,-0.3 -2,-0.1 0.509 106.3 48.5 -79.9 -1.6 15.8 62.4 6.6 71 93 A H G < S+ 0 0 51 -3,-2.8 -21,-0.8 1,-0.2 2,-0.4 0.421 108.8 51.6-115.4 -2.8 13.2 62.8 9.4 72 94 A F < - 0 0 0 -3,-0.7 -1,-0.2 -4,-0.4 -21,-0.2 -0.954 54.1-166.7-144.2 119.0 15.1 65.1 11.8 73 95 A E S S+ 0 0 95 -23,-0.4 2,-0.6 -2,-0.4 -21,-0.2 0.732 83.1 53.8 -77.9 -24.1 16.7 68.4 10.8 74 96 A D E +a 52 0A 12 -23,-2.6 -21,-2.1 55,-0.1 2,-0.5 -0.915 69.7 177.0-117.8 106.6 18.7 68.8 14.0 75 97 A I E -ac 53 129A 0 53,-2.7 55,-2.2 -2,-0.6 56,-1.1 -0.926 11.6-165.3-115.7 129.3 20.9 65.8 14.9 76 98 A T E -ac 54 131A 0 -23,-2.6 -21,-3.0 -2,-0.5 2,-0.3 -0.949 4.9-163.2-111.2 123.8 23.3 65.5 17.9 77 99 A M E -ac 55 132A 0 54,-2.5 56,-2.9 -2,-0.5 2,-0.3 -0.773 14.9-176.8-100.1 151.7 25.9 62.8 18.0 78 100 A T E + c 0 133A 0 -23,-0.9 -20,-2.6 -2,-0.3 -19,-0.6 -0.940 13.8 164.1-143.0 161.7 27.6 61.9 21.2 79 101 A D E - c 0 134A 0 54,-1.6 56,-0.7 -2,-0.3 6,-0.1 -0.867 38.6-126.2-176.5 155.6 30.3 59.8 22.8 80 102 A F S S+ 0 0 60 -2,-0.2 2,-0.4 54,-0.2 -1,-0.1 0.771 89.5 71.8 -72.5 -29.4 32.4 59.3 26.0 81 103 A L > - 0 0 7 1,-0.1 4,-1.9 53,-0.0 3,-0.4 -0.759 65.8-150.0-101.4 133.9 35.8 59.3 24.2 82 104 A E H > S+ 0 0 109 -2,-0.4 4,-2.4 1,-0.2 5,-0.2 0.887 100.9 60.1 -60.3 -40.1 37.5 62.3 22.5 83 105 A V H > S+ 0 0 61 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.831 106.0 47.5 -60.7 -32.8 39.1 59.9 20.0 84 106 A N H > S+ 0 0 0 -3,-0.4 4,-2.6 2,-0.2 -1,-0.2 0.911 110.2 50.1 -73.1 -43.8 35.6 58.8 18.9 85 107 A R H X S+ 0 0 38 -4,-1.9 4,-1.7 1,-0.2 -2,-0.2 0.845 111.1 51.9 -63.1 -32.8 34.3 62.4 18.5 86 108 A Q H X S+ 0 0 86 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.924 108.5 49.4 -65.5 -46.2 37.5 63.1 16.5 87 109 A E H X S+ 0 0 8 -4,-1.7 4,-1.0 1,-0.2 12,-0.3 0.891 110.6 50.3 -61.8 -41.1 36.8 60.1 14.2 88 110 A L H X S+ 0 0 1 -4,-2.6 4,-2.3 1,-0.2 3,-0.5 0.883 107.8 55.8 -61.2 -38.5 33.2 61.4 13.8 89 111 A G H X S+ 0 0 23 -4,-1.7 4,-2.0 1,-0.2 6,-0.3 0.876 100.5 56.7 -63.1 -40.8 34.7 64.8 12.9 90 112 A R H <>S+ 0 0 65 -4,-1.9 5,-1.5 1,-0.2 8,-0.3 0.786 112.5 42.2 -62.3 -28.9 36.9 63.4 10.1 91 113 A W H ><5S+ 0 0 7 -4,-1.0 3,-0.8 -3,-0.5 -2,-0.2 0.870 110.8 52.8 -87.4 -39.9 33.8 62.0 8.4 92 114 A L H 3<5S+ 0 0 30 -4,-2.3 -2,-0.2 1,-0.2 -3,-0.2 0.874 118.4 38.6 -61.2 -36.3 31.4 64.9 8.9 93 115 A Q T 3<5S- 0 0 140 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.369 107.7-123.5 -96.3 3.4 34.0 67.3 7.4 94 116 A E T < 5 + 0 0 142 -3,-0.8 -3,-0.2 -5,-0.1 -4,-0.1 0.777 54.8 166.8 59.0 27.5 35.2 64.8 4.7 95 117 A E > < - 0 0 97 -5,-1.5 3,-1.2 -6,-0.3 2,-0.1 -0.028 43.1 -66.1 -67.2 172.7 38.7 65.2 6.2 96 118 A P T 3 S+ 0 0 116 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 -0.389 115.4 10.2 -65.1 134.8 41.7 62.9 5.3 97 119 A G T 3 S+ 0 0 55 1,-0.2 -6,-0.1 -2,-0.1 3,-0.1 0.573 83.0 158.7 78.1 10.0 41.6 59.3 6.5 98 120 A A < - 0 0 28 -3,-1.2 -1,-0.2 -8,-0.3 2,-0.1 -0.267 51.6 -95.0 -59.6 152.7 37.9 59.4 7.5 99 121 A F - 0 0 36 -12,-0.3 2,-0.8 -39,-0.1 -1,-0.1 -0.447 38.6-117.7 -68.2 145.8 36.3 55.9 7.6 100 122 A N + 0 0 104 1,-0.1 3,-0.3 -2,-0.1 4,-0.1 -0.785 38.3 167.8 -93.8 108.5 34.5 55.0 4.5 101 123 A W >> + 0 0 1 -2,-0.8 4,-2.4 1,-0.2 3,-0.6 0.316 42.0 114.3 -96.8 6.8 30.8 54.5 5.1 102 124 A S H 3> S+ 0 0 9 1,-0.3 4,-3.0 2,-0.2 5,-0.2 0.815 72.7 53.7 -52.8 -39.6 29.8 54.4 1.4 103 125 A M H 3> S+ 0 0 54 -3,-0.3 4,-2.4 2,-0.2 -1,-0.3 0.929 112.2 45.3 -60.6 -43.9 28.7 50.7 1.4 104 126 A Y H <> S+ 0 0 6 -3,-0.6 4,-2.7 2,-0.2 -2,-0.2 0.906 113.5 48.9 -66.9 -42.1 26.3 51.5 4.3 105 127 A S H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.935 112.0 50.0 -61.2 -45.6 25.0 54.6 2.7 106 128 A Q H X S+ 0 0 9 -4,-3.0 4,-2.2 -5,-0.2 -2,-0.2 0.899 112.6 46.4 -58.5 -43.4 24.5 52.7 -0.5 107 129 A H H X S+ 0 0 12 -4,-2.4 4,-3.5 2,-0.2 5,-0.3 0.895 107.8 55.5 -71.1 -39.0 22.6 50.0 1.3 108 130 A A H X S+ 0 0 0 -4,-2.7 4,-2.9 2,-0.2 5,-0.2 0.932 111.9 44.1 -54.1 -48.1 20.5 52.4 3.2 109 131 A C H X>S+ 0 0 0 -4,-2.1 4,-1.6 2,-0.2 5,-0.7 0.902 113.7 51.8 -64.3 -42.6 19.4 54.0 -0.1 110 132 A L H <5S+ 0 0 16 -4,-2.2 3,-0.4 -5,-0.2 -2,-0.2 0.963 115.0 41.1 -53.5 -56.1 18.9 50.5 -1.5 111 133 A I H <5S+ 0 0 56 -4,-3.5 -2,-0.2 1,-0.2 -1,-0.2 0.836 111.2 55.1 -67.5 -37.3 16.8 49.4 1.4 112 134 A E H <5S- 0 0 34 -4,-2.9 -1,-0.2 -5,-0.3 -2,-0.2 0.784 92.8-153.3 -68.3 -26.2 14.8 52.6 1.6 113 135 A G T <5 + 0 0 56 -4,-1.6 -3,-0.1 -3,-0.4 -2,-0.1 0.855 53.7 125.1 58.8 42.0 13.9 52.2 -2.0 114 136 A K S > - 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