==== 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 3HCF . 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) . 20698.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 387 73.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 48 9.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 56 10.6 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 . 39 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 68 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 148 28.1 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 3 0 0 0 0 2 2 8 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 1 2 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 . 3 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 91 0, 0.0 3,-0.6 0, 0.0 205,-0.0 0.000 360.0 360.0 360.0 -25.3 34.4 52.1 32.2 2 25 A S G > + 0 0 104 1,-0.2 3,-1.1 2,-0.2 4,-0.2 0.597 360.0 72.5 -74.1 -13.0 38.1 53.0 32.4 3 26 A A G > S+ 0 0 39 1,-0.2 3,-1.6 2,-0.2 -1,-0.2 0.814 84.6 66.4 -66.8 -30.4 38.5 50.0 30.0 4 27 A Y G < S+ 0 0 9 -3,-0.6 3,-0.4 1,-0.3 -1,-0.2 0.509 82.8 75.1 -70.1 -3.8 37.0 52.4 27.4 5 28 A Q G < S+ 0 0 131 -3,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.683 96.0 48.0 -82.2 -17.7 40.1 54.5 27.6 6 29 A R S < S+ 0 0 156 -3,-1.6 198,-0.9 -4,-0.2 197,-0.5 0.401 84.1 132.4 -98.9 2.1 42.0 51.9 25.6 7 30 A F - 0 0 9 -3,-0.4 195,-0.1 -4,-0.2 75,-0.1 -0.327 43.3-157.0 -61.0 123.3 39.2 51.6 23.0 8 31 A E >> - 0 0 80 193,-2.4 4,-2.1 1,-0.2 3,-0.5 -0.875 5.4-164.0-110.1 105.4 40.5 51.8 19.4 9 32 A P H 3> S+ 0 0 16 0, 0.0 4,-2.7 0, 0.0 5,-0.3 0.911 88.5 55.3 -55.3 -52.1 37.8 52.9 16.9 10 33 A R H 3> S+ 0 0 128 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.883 112.2 45.6 -49.1 -39.1 39.6 51.8 13.7 11 34 A A H <> S+ 0 0 18 -3,-0.5 4,-1.5 190,-0.2 -1,-0.2 0.825 111.9 51.6 -78.0 -29.5 39.8 48.3 15.3 12 35 A Y H >X S+ 0 0 9 -4,-2.1 4,-1.3 189,-0.3 3,-0.9 0.998 113.3 43.1 -60.1 -65.7 36.1 48.5 16.4 13 36 A L H >X>S+ 0 0 0 -4,-2.7 4,-3.1 1,-0.3 3,-0.8 0.894 114.9 51.0 -45.0 -50.4 35.0 49.4 12.9 14 37 A R H 3X5S+ 0 0 180 -4,-2.3 4,-0.5 -5,-0.3 -1,-0.3 0.840 111.4 48.0 -56.8 -37.3 37.3 46.8 11.4 15 38 A N H <<5S+ 0 0 28 -4,-1.5 -1,-0.2 -3,-0.9 -2,-0.2 0.668 128.8 19.4 -77.4 -21.8 35.9 44.1 13.7 16 39 A N H <<5S+ 0 0 22 -4,-1.3 -2,-0.2 -3,-0.8 -3,-0.2 0.493 128.3 37.1-134.9 -9.9 32.3 44.9 13.1 17 40 A Y H <5S+ 0 0 7 -4,-3.1 -3,-0.2 -5,-0.3 -2,-0.1 0.315 100.6 74.2-134.1 5.8 31.7 46.8 9.9 18 41 A A S >X4 S+ 0 0 68 0, 0.0 3,-0.9 0, 0.0 -4,-0.1 -0.939 142.4 22.5 -67.6 -34.0 32.6 39.3 6.9 21 44 A R T <4 S+ 0 0 17 -3,-0.6 10,-0.5 1,-0.2 -5,-0.1 0.834 128.6 51.5 -70.7 -29.4 30.1 41.3 8.9 22 45 A G T 3< S+ 0 0 5 -4,-2.4 2,-1.3 -8,-0.2 -1,-0.2 0.435 81.2 100.8 -87.5 -3.2 30.7 44.3 6.8 23 46 A D X - 0 0 75 -3,-0.9 3,-0.6 -5,-0.3 8,-0.1 -0.707 53.1-173.3 -80.1 97.3 30.1 42.5 3.5 24 47 A L T 3 + 0 0 0 -2,-1.3 -1,-0.2 1,-0.2 5,-0.1 0.465 59.2 95.9 -74.4 4.9 26.6 43.7 2.9 25 48 A a T 3 + 0 0 15 2,-0.1 -1,-0.2 3,-0.1 359,-0.2 0.923 69.7 65.6 -68.0 -45.7 26.2 41.3 -0.1 26 49 A N S X S- 0 0 72 -3,-0.6 3,-1.6 1,-0.2 357,-0.0 -0.648 72.7-154.2 -78.5 120.0 24.5 38.4 1.6 27 50 A P T 3 S+ 0 0 74 0, 0.0 -1,-0.2 0, 0.0 6,-0.1 0.642 90.4 66.3 -72.7 -11.4 21.1 39.7 2.7 28 51 A N T 3 S+ 0 0 128 4,-0.1 -2,-0.1 5,-0.0 -3,-0.1 0.376 83.4 103.2 -87.2 1.0 21.0 37.1 5.5 29 52 A G S <> S- 0 0 8 -3,-1.6 4,-1.5 -5,-0.1 -8,-0.1 -0.264 86.4-107.0 -78.8 175.5 23.9 38.9 7.2 30 53 A V H > S+ 0 0 10 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.802 111.9 54.9 -79.3 -31.7 23.6 41.1 10.2 31 54 A G H > S+ 0 0 2 -10,-0.5 4,-2.8 2,-0.2 5,-0.3 0.936 107.8 48.0 -66.8 -50.1 24.2 44.4 8.5 32 55 A P H > S+ 0 0 3 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.967 113.5 51.2 -54.2 -45.7 21.4 44.0 6.0 33 56 A W H X S+ 0 0 30 -4,-1.5 4,-2.4 2,-0.2 -2,-0.2 0.929 111.8 43.7 -58.6 -51.3 19.2 42.9 8.9 34 57 A K H >X S+ 0 0 8 -4,-2.6 4,-1.9 2,-0.2 3,-0.6 0.993 115.0 50.0 -54.5 -59.7 19.9 45.9 11.1 35 58 A L H 3X S+ 0 0 2 -4,-2.8 4,-2.8 1,-0.3 -2,-0.2 0.859 110.5 50.4 -49.0 -42.1 19.6 48.3 8.1 36 59 A R H 3X S+ 0 0 72 -4,-2.9 4,-3.4 -5,-0.3 5,-0.3 0.905 106.4 54.7 -65.0 -42.6 16.3 46.8 7.1 37 60 A C H < S+ 0 0 5 -4,-2.3 3,-0.6 -5,-0.3 5,-0.5 0.845 113.4 39.8 -56.9 -42.3 10.5 51.2 10.9 42 65 A F H >< S+ 0 0 3 -4,-2.3 3,-2.5 -3,-0.2 -1,-0.2 0.846 104.1 66.4 -76.0 -34.2 10.8 54.7 9.4 43 66 A A H 3< S+ 0 0 76 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.565 89.2 69.9 -67.3 -5.8 8.9 53.8 6.2 44 67 A T T << S- 0 0 61 -3,-0.6 -1,-0.3 -4,-0.6 -2,-0.2 0.749 95.7-146.6 -74.6 -27.5 5.9 53.4 8.5 45 68 A G S < S+ 0 0 44 -3,-2.5 -2,-0.1 -4,-0.2 -3,-0.1 0.695 70.6 109.1 64.7 21.3 6.1 57.2 8.8 46 69 A E + 0 0 104 -5,-0.5 2,-0.8 1,-0.2 -4,-0.1 0.601 66.0 69.2 -96.8 -17.3 4.8 57.0 12.5 47 70 A V S S+ 0 0 2 -6,-0.4 2,-0.3 -5,-0.2 -2,-0.2 -0.880 75.9 131.6 -98.0 103.1 8.3 58.0 13.7 48 71 A S + 0 0 63 -2,-0.8 2,-0.3 105,-0.2 23,-0.1 -0.970 11.5 108.3-151.7 161.4 8.6 61.6 12.7 49 72 A G - 0 0 37 21,-1.0 23,-0.4 -2,-0.3 3,-0.1 -0.988 63.5 -80.8 161.4-157.9 9.6 65.0 14.0 50 73 A R S S+ 0 0 115 -2,-0.3 23,-3.1 1,-0.2 2,-0.3 0.750 98.1 39.1-112.9 -38.7 12.2 67.8 13.9 51 74 A T E +a 73 0A 6 21,-0.2 102,-1.0 100,-0.1 103,-0.3 -0.865 56.3 173.8-119.4 153.6 15.0 66.7 16.3 52 75 A L E -a 74 0A 1 21,-2.1 23,-3.3 -2,-0.3 2,-0.4 -0.988 14.9-149.1-154.5 147.4 16.6 63.4 17.0 53 76 A I E -ab 75 155A 1 101,-1.9 103,-2.4 -2,-0.3 2,-0.6 -0.981 7.3-146.9-127.7 131.4 19.6 62.2 19.1 54 77 A D E -ab 76 156A 0 21,-3.4 23,-0.7 -2,-0.4 2,-0.6 -0.845 19.2-148.9 -95.6 120.1 21.9 59.3 18.6 55 78 A I S S- 0 0 0 101,-2.8 103,-0.4 -2,-0.6 106,-0.2 -0.793 75.8 -5.9 -94.7 114.4 23.1 57.9 22.0 56 79 A G S S+ 0 0 2 -2,-0.6 -1,-0.3 101,-0.1 22,-0.2 0.974 72.8 170.6 68.1 55.4 26.5 56.4 22.0 57 80 A S > - 0 0 0 20,-3.3 3,-1.1 -3,-0.5 21,-0.2 0.816 13.2-178.0 -65.0 -32.2 27.2 56.7 18.3 58 81 A G T 3 - 0 0 0 19,-0.7 2,-0.3 1,-0.2 -1,-0.2 -0.367 65.8 -33.3 54.9-144.0 30.8 55.8 18.8 59 82 A P T 3 S+ 0 0 2 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.185 114.6 100.9 -98.4 43.6 32.4 55.9 15.4 60 83 A T < + 0 0 0 -3,-1.1 27,-0.0 -2,-0.3 26,-0.0 -0.958 37.5 174.6-136.7 153.4 29.4 54.9 13.3 61 84 A V >> + 0 0 1 -2,-0.3 3,-3.5 467,-0.1 4,-0.6 0.567 61.6 92.5-125.5 -23.3 26.7 56.4 11.1 62 85 A Y G >4 S+ 0 0 2 1,-0.3 3,-1.4 2,-0.2 4,-0.4 0.832 78.0 69.0 -45.8 -37.0 24.7 53.5 9.6 63 86 A Q G 34 S+ 0 0 0 1,-0.3 -1,-0.3 -6,-0.1 4,-0.2 0.683 106.2 40.8 -63.0 -12.2 22.3 53.7 12.5 64 87 A L G <> S+ 0 0 0 -3,-3.5 4,-3.3 3,-0.1 -1,-0.3 0.483 85.8 99.0-111.1 -6.4 21.1 57.0 11.1 65 88 A L T << S+ 0 0 1 -3,-1.4 4,-0.4 -4,-0.6 3,-0.4 0.943 95.5 27.1 -47.7 -76.0 21.0 56.4 7.4 66 89 A S T >4 S+ 0 0 2 -4,-0.4 3,-1.1 1,-0.2 -1,-0.2 0.881 122.3 59.7 -56.7 -37.2 17.3 55.7 6.8 67 90 A A G >4 S+ 0 0 1 1,-0.2 3,-2.2 -4,-0.2 4,-0.4 0.917 88.6 69.0 -57.5 -47.4 16.6 57.9 9.8 68 91 A C G 3< S+ 0 0 0 -4,-3.3 -1,-0.2 -3,-0.4 3,-0.2 0.551 86.7 66.7 -58.3 -13.8 18.1 61.1 8.5 69 92 A S G < S+ 0 0 30 -3,-1.1 -1,-0.3 -4,-0.4 -2,-0.1 0.345 104.5 46.3 -87.7 9.5 15.5 61.7 5.8 70 93 A H S < S+ 0 0 49 -3,-2.2 -21,-1.0 1,-0.2 2,-0.4 0.500 106.7 51.6-125.7 -10.9 12.9 62.2 8.6 71 94 A F - 0 0 0 -4,-0.4 -1,-0.2 -3,-0.2 -21,-0.2 -0.983 56.5-161.4-135.7 123.2 14.4 64.6 11.1 72 95 A E S S+ 0 0 102 -2,-0.4 2,-0.6 -23,-0.4 -21,-0.2 0.812 83.1 51.3 -75.4 -31.2 16.1 67.9 10.2 73 96 A D E +a 51 0A 13 -23,-3.1 -21,-2.1 55,-0.1 2,-0.5 -0.913 69.2 176.8-111.9 108.9 18.1 68.4 13.4 74 97 A I E -ac 52 128A 0 53,-2.4 55,-1.3 -2,-0.6 56,-0.8 -0.949 10.0-164.6-119.8 119.4 20.2 65.3 14.3 75 98 A T E -ac 53 130A 0 -23,-3.3 -21,-3.4 -2,-0.5 2,-0.3 -0.852 5.1-160.8-103.5 128.6 22.5 65.3 17.3 76 99 A M E -ac 54 131A 0 54,-3.0 56,-3.8 -2,-0.5 2,-0.3 -0.775 11.9-177.1-108.6 157.7 25.2 62.6 17.7 77 100 A T E + c 0 132A 0 -23,-0.7 -20,-3.3 -2,-0.3 -19,-0.7 -0.992 13.1 167.9-150.0 151.8 27.0 61.7 20.9 78 101 A D E - c 0 133A 0 54,-1.8 56,-0.6 -2,-0.3 6,-0.1 -0.938 36.8-128.1-164.1 153.4 29.6 59.5 22.5 79 102 A F S S+ 0 0 67 -2,-0.3 2,-0.3 54,-0.2 -1,-0.1 0.823 88.8 72.8 -66.6 -31.8 31.5 59.1 25.7 80 103 A L > - 0 0 9 1,-0.1 4,-1.9 -3,-0.1 5,-0.1 -0.635 65.0-150.7 -95.7 143.7 34.9 59.1 24.0 81 104 A E H > S+ 0 0 111 -2,-0.3 4,-2.6 2,-0.2 5,-0.3 0.970 99.5 58.3 -65.6 -56.1 36.8 62.0 22.4 82 105 A V H > S+ 0 0 62 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.804 109.0 46.1 -46.4 -35.3 38.6 59.7 19.9 83 106 A N H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.951 108.1 53.2 -74.7 -49.7 35.2 58.6 18.6 84 107 A R H X S+ 0 0 41 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.847 112.4 49.4 -50.7 -31.4 33.8 62.1 18.4 85 108 A Q H X S+ 0 0 103 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.852 107.3 51.8 -75.9 -37.4 36.9 62.8 16.3 86 109 A E H X S+ 0 0 8 -4,-1.6 4,-1.1 -5,-0.3 12,-0.3 0.881 110.9 48.8 -68.6 -35.9 36.4 59.8 14.1 87 110 A L H >X S+ 0 0 3 -4,-2.6 4,-2.9 2,-0.2 3,-0.6 0.921 106.5 57.5 -65.3 -44.7 32.8 60.9 13.4 88 111 A G H 3X S+ 0 0 21 -4,-1.8 4,-2.6 -5,-0.3 6,-0.3 0.948 101.7 56.4 -44.9 -57.1 34.2 64.4 12.7 89 112 A R H 3<>S+ 0 0 77 -4,-2.1 5,-1.7 1,-0.2 8,-0.3 0.785 113.1 38.2 -48.5 -39.5 36.4 62.9 10.0 90 113 A W H X<5S+ 0 0 7 -4,-1.1 3,-1.1 -3,-0.6 -1,-0.2 0.857 113.6 55.1 -83.6 -34.5 33.5 61.3 8.0 91 114 A L H 3<5S+ 0 0 16 -4,-2.9 -2,-0.2 1,-0.3 -3,-0.2 0.855 116.3 38.6 -64.7 -33.4 31.1 64.2 8.6 92 115 A Q T 3<5S- 0 0 137 -4,-2.6 -1,-0.3 -5,-0.3 -2,-0.2 0.201 107.5-123.4-103.2 14.8 33.6 66.6 7.1 93 116 A E T < 5 + 0 0 147 -3,-1.1 -3,-0.2 -5,-0.2 -4,-0.1 0.782 54.7 165.7 48.3 29.3 34.8 64.2 4.4 94 117 A E > < - 0 0 95 -5,-1.7 3,-0.9 -6,-0.3 2,-0.2 -0.030 44.2 -70.9 -65.3 175.7 38.3 64.7 5.8 95 118 A P T 3 S+ 0 0 115 0, 0.0 -1,-0.1 0, 0.0 -6,-0.0 -0.549 114.4 15.3 -76.3 135.5 41.2 62.3 4.8 96 119 A G T 3 S+ 0 0 59 -2,-0.2 -6,-0.1 1,-0.2 3,-0.1 0.604 84.4 155.7 80.5 13.6 41.2 58.8 6.1 97 120 A A < - 0 0 29 -3,-0.9 -1,-0.2 -8,-0.3 2,-0.1 -0.228 51.9 -92.7 -63.4 161.6 37.6 58.8 7.1 98 121 A F - 0 0 30 -12,-0.3 2,-0.9 1,-0.1 -1,-0.1 -0.456 36.4-117.9 -73.5 155.2 35.9 55.4 7.3 99 122 A N + 0 0 107 1,-0.1 3,-0.3 -2,-0.1 4,-0.2 -0.780 41.6 160.5-102.1 100.0 34.1 54.2 4.2 100 123 A W >> + 0 0 3 -2,-0.9 4,-2.2 1,-0.2 3,-1.2 0.395 41.3 113.4 -89.3 1.8 30.4 53.8 4.9 101 124 A S H 3> S+ 0 0 18 1,-0.3 4,-3.3 2,-0.2 5,-0.2 0.855 74.1 54.0 -51.2 -43.4 29.5 53.9 1.2 102 125 A M H 3> S+ 0 0 30 -3,-0.3 4,-2.6 1,-0.2 -1,-0.3 0.914 110.3 47.2 -52.5 -45.1 28.4 50.2 1.2 103 126 A Y H <> S+ 0 0 5 -3,-1.2 4,-2.5 2,-0.2 -2,-0.2 0.949 111.6 49.5 -65.2 -48.7 26.1 51.0 4.1 104 127 A S H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.940 110.0 53.6 -53.5 -48.5 24.6 54.1 2.3 105 128 A Q H X S+ 0 0 18 -4,-3.3 4,-2.9 -5,-0.2 -2,-0.2 0.957 110.5 45.0 -48.2 -58.1 24.2 52.0 -0.8 106 129 A H H X S+ 0 0 13 -4,-2.6 4,-3.4 1,-0.3 5,-0.2 0.838 108.3 55.5 -66.0 -31.4 22.2 49.3 1.0 107 130 A A H X S+ 0 0 0 -4,-2.5 4,-3.1 2,-0.2 -1,-0.3 0.965 112.0 45.6 -59.6 -48.5 20.0 51.8 2.9 108 131 A C H X>S+ 0 0 5 -4,-2.6 4,-1.2 2,-0.2 5,-0.6 0.902 114.0 48.9 -57.8 -45.9 19.2 53.2 -0.6 109 132 A L H <5S+ 0 0 31 -4,-2.9 3,-0.2 -5,-0.2 -2,-0.2 0.942 114.9 44.2 -58.0 -49.7 18.6 49.7 -1.9 110 133 A I H <5S+ 0 0 52 -4,-3.4 -2,-0.2 1,-0.2 -1,-0.2 0.886 111.6 50.6 -67.2 -44.5 16.4 48.8 1.1 111 134 A E H <5S- 0 0 31 -4,-3.1 -1,-0.2 -5,-0.2 -2,-0.2 0.740 92.9-154.2 -66.2 -21.7 14.3 52.0 1.1 112 135 A G T <5 + 0 0 56 -4,-1.2 -3,-0.1 -5,-0.3 -4,-0.1 0.878 52.9 126.0 49.9 50.4 13.7 51.5 -2.6 113 136 A K S - 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0 0 122 1,-0.2 4,-0.3 2,-0.0 0, 0.0 -0.736 360.0-171.1 -94.2 134.7 28.1 52.8 -54.0 261 16 B S S > S+ 0 0 45 -2,-0.4 4,-1.6 2,-0.1 3,-0.5 0.910 71.3 74.7 -85.4 -51.1 28.4 51.9 -50.4 262 17 B A H > S+ 0 0 51 1,-0.2 4,-3.6 2,-0.2 5,-0.3 0.735 88.6 56.7 -33.2 -55.2 32.2 51.5 -50.0 263 18 B P H > S+ 0 0 80 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.949 111.8 40.4 -53.7 -59.7 33.2 55.3 -50.0 264 19 B G H >> S+ 0 0 23 -3,-0.5 4,-2.2 -4,-0.3 3,-0.9 0.971 116.2 51.7 -46.4 -63.9 31.0 56.3 -47.1 265 20 B Q H 3X S+ 0 0 39 -4,-1.6 4,-2.7 1,-0.3 -1,-0.2 0.894 110.6 48.2 -34.6 -58.0 31.9 53.1 -45.2 266 21 B A H 3X S+ 0 0 62 -4,-3.6 4,-2.5 1,-0.2 -1,-0.3 0.810 106.8 56.0 -63.3 -32.7 35.6 53.8 -45.8 267 22 B A H < S+ 0 0 89 -4,-2.5 3,-1.6 1,-0.2 -2,-0.2 0.959 108.5 48.6 -52.3 -59.3 39.0 56.2 -41.5 271 26 B A H >< S+ 0 0 39 -4,-2.6 3,-1.7 1,-0.3 -1,-0.2 0.855 105.3 56.5 -50.9 -44.5 37.5 58.4 -38.8 272 27 B Y H >< S+ 0 0 3 -4,-2.3 3,-1.0 1,-0.3 -1,-0.3 0.634 86.2 79.0 -71.2 -11.7 37.3 55.7 -36.0 273 28 B Q T << S+ 0 0 136 -3,-1.6 -1,-0.3 -4,-0.8 -2,-0.2 0.463 98.3 46.7 -71.3 0.4 41.1 55.1 -36.4 274 29 B R T < S+ 0 0 159 -3,-1.7 198,-0.9 -4,-0.1 197,-0.5 0.418 83.7 124.2-116.3 -4.9 41.3 58.3 -34.3 275 30 B F B < -I 470 0C 9 -3,-1.0 195,-0.2 -4,-0.2 3,-0.1 -0.361 46.0-157.7 -56.4 128.0 38.7 57.2 -31.7 276 31 B E > - 0 0 77 193,-2.0 4,-2.5 196,-0.2 3,-0.3 -0.919 6.2-157.5-114.3 103.3 40.0 57.3 -28.1 277 32 B P H > S+ 0 0 13 0, 0.0 4,-3.4 0, 0.0 5,-0.2 0.871 93.2 55.2 -44.9 -49.7 38.0 55.1 -25.7 278 33 B R H > S+ 0 0 87 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.945 110.0 44.1 -47.9 -57.3 39.2 57.1 -22.7 279 34 B A H > S+ 0 0 6 -3,-0.3 4,-2.5 1,-0.2 -1,-0.2 0.896 113.8 51.4 -58.0 -42.5 38.0 60.4 -24.1 280 35 B Y H X S+ 0 0 10 -4,-2.5 4,-1.5 189,-0.3 5,-0.3 0.948 111.3 48.1 -59.9 -48.5 34.7 58.8 -25.2 281 36 B L H X S+ 0 0 1 -4,-3.4 4,-2.7 1,-0.2 3,-0.3 0.904 112.9 46.8 -59.2 -48.2 34.2 57.4 -21.7 282 37 B R H X S+ 0 0 150 -4,-2.9 4,-0.9 -5,-0.2 -1,-0.2 0.939 112.8 50.9 -56.1 -46.6 35.0 60.7 -20.0 283 38 B N H < S+ 0 0 39 -4,-2.5 6,-0.2 -5,-0.2 -1,-0.2 0.790 127.6 17.3 -65.2 -29.1 32.7 62.6 -22.3 284 39 B N H < S+ 0 0 21 -4,-1.5 -1,-0.2 -3,-0.3 -2,-0.2 0.599 128.0 39.2-123.8 -22.0 29.7 60.3 -21.9 285 40 B Y H < S+ 0 0 8 -4,-2.7 -3,-0.2 -5,-0.3 -2,-0.1 0.172 102.1 70.7-129.0 14.7 29.9 58.2 -18.9 286 41 B A S >X S- 0 0 28 -4,-0.9 4,-2.3 -5,-0.2 3,-0.5 -0.860 93.7 -33.5-118.1 162.4 31.5 60.6 -16.3 287 42 B P T 34 S+ 0 0 98 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.188 120.6 31.7 -51.1 149.9 29.6 63.6 -14.8 288 43 B P T >4 S+ 0 0 64 0, 0.0 3,-1.6 0, 0.0 -4,-0.1 -0.906 143.4 22.0 -70.2 -35.0 27.6 65.5 -15.8 289 44 B R T <4 S+ 0 0 14 -3,-0.5 10,-0.5 1,-0.3 -5,-0.1 0.834 125.2 56.7 -62.6 -31.6 26.2 62.7 -17.9 290 45 B G T 3< S+ 0 0 10 -4,-2.3 2,-1.1 -8,-0.2 -1,-0.3 0.502 79.4 106.5 -80.1 -6.4 27.8 60.1 -15.7 291 46 B D < + 0 0 68 -3,-1.6 3,-0.4 -5,-0.3 8,-0.2 -0.642 44.8 179.8 -76.2 102.1 26.0 61.6 -12.6 292 47 B L + 0 0 10 -2,-1.1 -1,-0.2 1,-0.2 -2,-0.1 0.459 60.3 90.6 -83.3 3.6 23.4 59.0 -12.0 293 48 B b S S+ 0 0 11 2,-0.1 -177,-0.2 -178,-0.1 -1,-0.2 0.948 71.8 66.6 -68.9 -49.9 22.1 60.9 -9.0 294 49 B N S > S- 0 0 66 -3,-0.4 3,-1.1 1,-0.2 -179,-0.0 -0.597 73.5-151.6 -74.1 121.9 19.4 63.0 -10.8 295 50 B P T 3 S+ 0 0 78 0, 0.0 -1,-0.2 0, 0.0 6,-0.1 0.652 92.7 64.0 -71.3 -12.0 16.7 60.6 -12.0 296 51 B N T 3 S+ 0 0 117 4,-0.1 5,-0.1 5,-0.0 -2,-0.0 0.734 83.1 103.0 -80.0 -25.4 16.0 63.0 -14.9 297 52 B G S <> S- 0 0 10 -3,-1.1 4,-1.5 -6,-0.1 -8,-0.1 0.061 84.5-110.9 -53.6 171.3 19.4 62.5 -16.4 298 53 B V H > S+ 0 0 10 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.830 110.3 60.1 -82.8 -34.8 20.0 60.3 -19.4 299 54 B G H > S+ 0 0 1 -10,-0.5 4,-2.5 2,-0.2 5,-0.3 0.970 108.4 44.8 -57.4 -52.9 22.0 57.5 -17.6 300 55 B P H > S+ 0 0 1 0, 0.0 4,-2.9 0, 0.0 -1,-0.2 0.952 112.4 53.0 -54.3 -46.6 19.0 56.7 -15.3 301 56 B W H X S+ 0 0 29 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.919 110.3 46.3 -59.5 -46.9 16.6 56.9 -18.2 302 57 B K H X S+ 0 0 8 -4,-2.8 4,-2.4 1,-0.2 3,-0.3 0.973 114.6 46.5 -57.6 -54.5 18.6 54.4 -20.3 303 58 B L H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.855 110.9 54.2 -54.1 -37.8 19.1 52.0 -17.4 304 59 B R H X S+ 0 0 84 -4,-2.9 4,-2.5 -5,-0.3 5,-0.3 0.886 107.0 51.0 -67.0 -38.9 15.4 52.3 -16.7 305 60 B C H X S+ 0 0 4 -4,-2.2 4,-1.4 -3,-0.3 -2,-0.2 0.943 113.5 43.6 -64.5 -48.7 14.5 51.4 -20.3 306 61 B L H X S+ 0 0 1 -4,-2.4 4,-2.8 1,-0.2 3,-0.3 0.972 117.2 45.2 -62.2 -48.9 16.6 48.3 -20.3 307 62 B A H X S+ 0 0 10 -4,-2.6 4,-1.6 1,-0.3 -2,-0.2 0.907 111.8 50.1 -64.6 -44.6 15.5 47.1 -16.8 308 63 B Q H X S+ 0 0 97 -4,-2.5 4,-0.7 -5,-0.2 -1,-0.3 0.821 113.8 49.3 -59.3 -29.7 11.8 47.8 -17.3 309 64 B T H >< S+ 0 0 6 -4,-1.4 3,-1.1 -3,-0.3 5,-0.4 0.957 111.7 43.3 -82.1 -49.4 12.0 45.9 -20.5 310 65 B F H >< S+ 0 0 2 -4,-2.8 3,-1.1 1,-0.2 5,-0.2 0.740 106.4 68.1 -65.2 -20.0 13.8 42.8 -19.2 311 66 B A H 3< S+ 0 0 77 -4,-1.6 -1,-0.2 -5,-0.3 -2,-0.2 0.769 82.6 68.4 -74.2 -25.4 11.5 42.9 -16.2 312 67 B T T << S- 0 0 68 -3,-1.1 -1,-0.3 -4,-0.7 -2,-0.2 0.698 100.8-138.3 -62.7 -14.2 8.4 42.0 -18.3 313 68 B G S < S+ 0 0 41 -3,-1.1 -2,-0.1 -4,-0.3 -3,-0.1 0.489 75.3 113.0 68.1 4.2 10.3 38.7 -18.5 314 69 B E + 0 0 109 -5,-0.4 2,-0.6 1,-0.2 -4,-0.1 0.525 64.2 67.8 -84.5 -6.0 9.3 38.5 -22.2 315 70 B V S S+ 0 0 0 -6,-0.3 2,-0.3 -5,-0.2 -1,-0.2 -0.855 72.8 112.5-117.2 95.9 12.9 38.9 -23.2 316 71 B S + 0 0 65 -2,-0.6 2,-0.3 105,-0.1 23,-0.1 -0.923 20.5 120.3-149.9 174.6 15.0 35.9 -22.3 317 72 B G E -j 339 0D 29 21,-1.3 23,-0.7 -2,-0.3 24,-0.2 -0.941 65.9 -70.2 154.5-172.5 16.9 32.9 -23.7 318 73 B R E S+ 0 0 135 -2,-0.3 23,-2.9 21,-0.2 2,-0.3 0.966 103.8 40.6 -76.6 -51.4 20.2 31.2 -23.9 319 74 B T E +j 341 0D 3 21,-0.2 102,-1.3 100,-0.2 103,-1.0 -0.795 52.7 176.1-115.5 140.5 22.2 33.7 -26.1 320 75 B L E -jk 342 422D 1 21,-2.9 23,-3.2 -2,-0.3 2,-0.4 -0.980 11.2-158.0-133.6 147.4 22.6 37.5 -26.5 321 76 B I E -jk 343 423D 0 101,-1.9 103,-2.5 -2,-0.3 2,-0.6 -0.992 10.2-146.0-128.9 131.1 24.9 39.6 -28.7 322 77 B D E > - k 0 424D 0 21,-3.3 2,-0.9 -2,-0.4 3,-0.6 -0.851 18.0-142.5 -98.1 118.0 25.8 43.2 -28.0 323 78 B I T 3 S- 0 0 0 101,-3.5 103,-0.4 -2,-0.6 106,-0.2 -0.693 77.5 -12.8 -91.2 105.2 26.2 45.2 -31.3 324 79 B G T 3 S+ 0 0 0 -2,-0.9 -1,-0.3 101,-0.1 102,-0.2 0.976 72.6 176.7 71.7 58.6 29.0 47.6 -31.2 325 80 B S X - 0 0 0 20,-2.8 3,-0.6 -3,-0.6 21,-0.2 0.887 12.4-177.1 -59.4 -40.7 29.7 47.5 -27.5 326 81 B G T 3 - 0 0 0 19,-0.8 2,-0.6 1,-0.2 -1,-0.2 -0.418 64.4 -33.3 61.8-152.7 32.6 49.9 -27.8 327 82 B P T 3 S+ 0 0 1 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.173 115.6 99.7 -92.5 42.1 34.2 50.3 -24.4 328 83 B T < + 0 0 0 -3,-0.6 27,-0.0 -2,-0.6 40,-0.0 -0.930 37.9 173.6-132.1 156.7 31.0 50.0 -22.4 329 84 B V > + 0 0 1 -2,-0.3 3,-3.3 2,-0.1 4,-0.3 0.536 61.4 94.1-127.2 -20.5 29.1 47.5 -20.4 330 85 B Y G > S+ 0 0 1 1,-0.3 3,-1.7 2,-0.2 4,-0.4 0.786 77.4 66.5 -52.9 -35.3 26.2 49.4 -18.9 331 86 B Q G 3 S+ 0 0 1 1,-0.3 -1,-0.3 2,-0.1 94,-0.1 0.598 106.1 45.8 -61.0 -8.9 23.9 48.3 -21.8 332 87 B L G <> S+ 0 0 0 -3,-3.3 4,-1.3 2,-0.1 -1,-0.3 0.453 83.2 94.2-112.2 -5.1 24.3 44.8 -20.4 333 88 B L H X> S+ 0 0 0 -3,-1.7 3,-0.8 -4,-0.3 4,-0.5 0.956 96.2 31.7 -62.3 -55.1 23.8 45.2 -16.6 334 89 B S H 34 S+ 0 0 4 -4,-0.4 -1,-0.3 1,-0.2 3,-0.1 0.663 118.5 62.1 -72.5 -13.7 20.0 44.4 -16.4 335 90 B A H >4 S+ 0 0 0 1,-0.2 3,-1.2 2,-0.1 4,-0.4 0.688 87.4 66.5 -89.3 -19.3 20.5 42.1 -19.3 336 91 B C H X< S+ 0 0 0 -4,-1.3 3,-0.7 -3,-0.8 -1,-0.2 0.801 87.0 66.8 -82.5 -23.6 22.9 39.6 -17.8 337 92 B S T 3< S+ 0 0 43 -4,-0.5 -1,-0.3 1,-0.2 -2,-0.1 0.539 108.0 44.6 -66.1 -2.8 20.5 38.1 -15.3 338 93 B H T < S+ 0 0 59 -3,-1.2 -21,-1.3 1,-0.2 2,-0.4 0.519 103.5 61.2-122.4 -3.7 18.6 36.8 -18.3 339 94 B F E < -j 317 0D 0 -3,-0.7 -21,-0.2 -4,-0.4 -1,-0.2 -0.942 52.1-161.7-134.4 115.3 21.1 35.3 -20.7 340 95 B E E S+ 0 0 116 -23,-0.7 2,-0.5 -2,-0.4 -21,-0.2 0.880 87.6 40.7 -55.5 -39.8 23.5 32.4 -20.1 341 96 B D E -j 319 0D 9 -23,-2.9 -21,-2.9 -24,-0.2 2,-0.5 -0.946 67.1-179.6-123.0 120.7 25.7 33.4 -23.0 342 97 B I E -jl 320 396D 0 53,-2.6 55,-2.3 -2,-0.5 56,-0.7 -0.962 8.3-163.3-121.1 125.3 26.6 37.0 -23.9 343 98 B T E -jl 321 398D 0 -23,-3.2 -21,-3.3 -2,-0.5 2,-0.3 -0.915 6.8-161.9-105.6 132.2 28.8 38.0 -26.9 344 99 B M E - l 0 399D 2 54,-2.2 56,-2.9 -2,-0.5 2,-0.3 -0.737 12.0-175.4-105.3 160.3 30.3 41.5 -27.0 345 100 B T E + l 0 400D 0 -23,-0.4 -20,-2.8 -2,-0.3 -19,-0.8 -0.996 12.8 168.9-154.2 142.4 31.6 43.1 -30.2 346 101 B D E - l 0 401D 0 54,-1.8 56,-0.6 -2,-0.3 57,-0.0 -0.985 32.5-135.8-154.4 161.6 33.4 46.1 -31.5 347 102 B F S S+ 0 0 59 -2,-0.3 2,-0.1 54,-0.2 -1,-0.1 0.938 89.2 62.7 -75.2 -48.8 35.0 47.3 -34.7 348 103 B L S > S- 0 0 13 1,-0.1 4,-1.3 53,-0.1 -22,-0.1 -0.444 70.4-146.9 -79.7 149.8 38.1 48.9 -33.1 349 104 B E H > S+ 0 0 117 2,-0.2 4,-3.8 3,-0.1 5,-0.3 0.900 96.1 64.1 -82.5 -44.2 40.6 46.8 -31.1 350 105 B V H > S+ 0 0 65 1,-0.2 4,-2.2 2,-0.2 -1,-0.1 0.889 108.0 45.4 -43.9 -45.6 41.5 49.4 -28.6 351 106 B N H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 5,-0.3 0.942 109.7 52.2 -60.6 -51.3 37.9 49.2 -27.5 352 107 B R H X S+ 0 0 48 -4,-1.3 4,-1.7 1,-0.2 -2,-0.2 0.936 112.1 48.7 -51.8 -44.6 38.0 45.4 -27.5 353 108 B Q H X S+ 0 0 108 -4,-3.8 4,-1.9 2,-0.2 -1,-0.2 0.893 105.0 57.2 -58.7 -45.7 41.1 45.7 -25.3 354 109 B E H X S+ 0 0 11 -4,-2.2 4,-1.8 -5,-0.3 12,-0.3 0.878 107.7 47.9 -56.7 -40.3 39.4 48.2 -22.9 355 110 B L H X S+ 0 0 5 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.900 106.1 58.5 -64.7 -38.9 36.7 45.6 -22.3 356 111 B G H X S+ 0 0 21 -4,-1.7 4,-1.9 -5,-0.3 -2,-0.2 0.877 104.0 53.4 -55.8 -37.2 39.4 43.1 -21.8 357 112 B R H <>S+ 0 0 82 -4,-1.9 5,-1.8 1,-0.2 -1,-0.2 0.941 109.1 46.4 -65.4 -46.9 40.6 45.4 -19.0 358 113 B W H ><5S+ 0 0 10 -4,-1.8 3,-1.3 1,-0.2 -2,-0.2 0.893 109.9 54.0 -65.5 -35.8 37.3 45.5 -17.3 359 114 B L H 3<5S+ 0 0 54 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.912 106.1 51.8 -61.4 -43.2 36.9 41.7 -17.6 360 115 B Q T 3<5S- 0 0 132 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.388 109.1-126.7 -73.7 2.4 40.2 41.1 -15.8 361 116 B E T < 5 + 0 0 135 -3,-1.3 -3,-0.2 -4,-0.2 -2,-0.1 0.848 48.8 170.9 51.1 34.0 39.0 43.5 -13.0 362 117 B E > < - 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