==== 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 28-JUN-11 3SMT . COMPND 2 MOLECULE: HISTONE-LYSINE N-METHYLTRANSFERASE SETD3; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.DONG,H.ZENG,J.R.WALKER,P.LOPPNAU,C.BOUNTRA,J.WEIGELT, . 466 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21789.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 308 66.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 3 0.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 42 9.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 20 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 51 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 182 39.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.9 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 3 1 1 1 1 3 0 0 1 2 0 0 1 0 0 1 0 1 0 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 0 1 0 0 0 0 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 . 1 2 0 1 1 2 1 0 0 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 . 2 3 0 0 0 0 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 20 A S > 0 0 124 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -53.3 8.8 -17.0 -6.9 2 21 A P H > + 0 0 104 0, 0.0 4,-1.7 0, 0.0 5,-0.1 0.851 360.0 47.7 -69.7 -31.9 8.1 -15.1 -3.5 3 22 A K H > S+ 0 0 84 2,-0.2 4,-0.9 1,-0.2 5,-0.0 0.802 112.2 50.0 -73.1 -32.9 7.3 -18.3 -1.7 4 23 A E H > S+ 0 0 119 2,-0.2 4,-2.1 1,-0.1 5,-0.2 0.875 108.2 53.0 -71.0 -42.3 10.6 -19.9 -3.0 5 24 A I H X S+ 0 0 23 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.934 110.8 46.2 -58.4 -49.8 12.6 -16.8 -2.0 6 25 A L H X S+ 0 0 45 -4,-1.7 4,-1.5 1,-0.2 -1,-0.2 0.719 111.1 54.6 -65.0 -26.8 11.3 -17.1 1.7 7 26 A N H X S+ 0 0 60 -4,-0.9 4,-1.2 2,-0.2 -1,-0.2 0.897 110.5 43.0 -73.4 -45.1 12.0 -20.9 1.6 8 27 A L H X S+ 0 0 39 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.796 111.4 58.0 -68.1 -33.8 15.7 -20.5 0.6 9 28 A T H X S+ 0 0 9 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.913 104.8 49.6 -59.4 -51.3 15.9 -17.6 3.2 10 29 A S H X S+ 0 0 77 -4,-1.5 4,-1.5 1,-0.2 -2,-0.2 0.816 111.6 48.5 -60.9 -37.4 14.8 -20.0 6.0 11 30 A E H X S+ 0 0 107 -4,-1.2 4,-2.8 2,-0.2 -1,-0.2 0.892 110.1 52.1 -70.2 -42.0 17.4 -22.6 5.0 12 31 A L H X S+ 0 0 6 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.914 107.9 51.8 -59.6 -45.2 20.1 -19.9 4.9 13 32 A L H < S+ 0 0 41 -4,-2.3 4,-0.3 1,-0.2 -1,-0.2 0.884 114.1 43.4 -56.6 -45.5 19.2 -18.8 8.5 14 33 A Q H >< S+ 0 0 68 -4,-1.5 3,-1.0 2,-0.2 4,-0.2 0.904 113.3 50.4 -68.2 -46.0 19.5 -22.4 9.7 15 34 A K H 3< S+ 0 0 63 -4,-2.8 3,-0.5 1,-0.2 -2,-0.2 0.812 114.7 45.0 -62.2 -33.8 22.8 -23.1 7.7 16 35 A C T 3< S+ 0 0 11 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.438 103.2 65.7 -92.0 -1.9 24.3 -19.8 9.2 17 36 A S S < S+ 0 0 78 -3,-1.0 -1,-0.2 -4,-0.3 -2,-0.2 0.334 84.9 85.2-101.2 6.3 23.1 -20.6 12.8 18 37 A S S S- 0 0 55 -3,-0.5 -4,-0.0 -4,-0.2 0, 0.0 -0.925 74.1-135.1-109.1 126.4 25.3 -23.7 13.3 19 38 A P 0 0 134 0, 0.0 -2,-0.1 0, 0.0 -1,-0.0 -0.212 360.0 360.0 -74.9 171.2 29.0 -23.2 14.4 20 39 A A 0 0 101 0, 0.0 3,-0.1 0, 0.0 6,-0.0 0.408 360.0 360.0-138.6 360.0 32.1 -25.1 12.9 21 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 22 44 A K > 0 0 143 0, 0.0 4,-1.6 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 155.4 36.2 -27.6 8.4 23 45 A E H > + 0 0 36 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.920 360.0 47.0 -70.8 -49.6 35.9 -23.8 7.9 24 46 A W H > S+ 0 0 38 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.882 112.1 51.5 -60.3 -44.5 36.5 -23.6 4.0 25 47 A E H > S+ 0 0 129 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.929 111.2 48.0 -57.3 -48.5 33.9 -26.5 3.4 26 48 A E H X S+ 0 0 39 -4,-1.6 4,-1.8 1,-0.2 -1,-0.2 0.829 111.8 51.6 -60.2 -37.6 31.3 -24.6 5.6 27 49 A Y H X S+ 0 0 3 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.914 107.7 49.1 -67.7 -48.7 32.1 -21.3 3.6 28 50 A V H X S+ 0 0 31 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.825 109.4 55.9 -62.4 -32.1 31.6 -22.9 0.1 29 51 A Q H X S+ 0 0 78 -4,-1.6 4,-1.7 2,-0.2 -2,-0.2 0.966 112.8 38.2 -65.4 -52.8 28.3 -24.4 1.3 30 52 A I H X S+ 0 0 5 -4,-1.8 4,-2.9 1,-0.2 -2,-0.2 0.866 116.5 55.8 -67.2 -32.3 26.8 -20.9 2.4 31 53 A R H X S+ 0 0 14 -4,-2.6 4,-2.8 2,-0.2 -2,-0.2 0.921 108.6 44.6 -64.0 -48.9 28.5 -19.4 -0.8 32 54 A T H X S+ 0 0 91 -4,-2.7 4,-0.8 2,-0.2 -1,-0.2 0.853 115.7 50.3 -64.4 -34.3 26.7 -21.9 -3.2 33 55 A L H X S+ 0 0 21 -4,-1.7 4,-2.0 -5,-0.2 3,-0.4 0.933 113.2 44.1 -66.3 -49.1 23.5 -21.2 -1.2 34 56 A V H X S+ 0 0 1 -4,-2.9 4,-2.9 1,-0.2 -2,-0.2 0.914 111.6 52.9 -63.9 -45.5 23.9 -17.3 -1.4 35 57 A E H X S+ 0 0 48 -4,-2.8 4,-1.0 1,-0.2 -1,-0.2 0.713 109.5 51.2 -64.3 -21.7 24.9 -17.4 -5.2 36 58 A K H X S+ 0 0 52 -4,-0.8 4,-1.2 -3,-0.4 -2,-0.2 0.920 112.9 42.8 -78.6 -48.1 21.6 -19.5 -5.8 37 59 A I H < S+ 0 0 16 -4,-2.0 -2,-0.2 1,-0.2 4,-0.2 0.865 114.1 52.6 -64.8 -38.0 19.4 -17.0 -3.9 38 60 A R H >< S+ 0 0 66 -4,-2.9 3,-1.1 1,-0.2 5,-0.4 0.842 105.5 54.7 -65.5 -37.4 21.2 -14.1 -5.7 39 61 A K H 3< S+ 0 0 84 -4,-1.0 -1,-0.2 1,-0.2 -2,-0.2 0.831 106.4 51.7 -64.6 -34.9 20.6 -15.7 -9.1 40 62 A K T 3< S+ 0 0 73 -4,-1.2 -1,-0.2 -3,-0.1 -2,-0.2 0.431 104.0 78.0 -81.6 -2.8 16.9 -15.8 -8.3 41 63 A Q S < S- 0 0 41 -3,-1.1 3,-0.1 -4,-0.2 -3,-0.0 -0.605 83.9-119.2-108.4 166.7 16.9 -12.0 -7.5 42 64 A K - 0 0 89 1,-0.3 2,-0.2 -2,-0.2 -3,-0.1 -0.104 48.3-118.8 -98.6 36.7 17.0 -8.7 -9.6 43 65 A G S S+ 0 0 14 -5,-0.4 2,-0.4 2,-0.0 174,-0.3 -0.458 82.7 7.2 65.7-134.4 20.3 -7.3 -8.3 44 66 A L - 0 0 27 -2,-0.2 169,-0.0 172,-0.2 171,-0.0 -0.701 69.8-140.3 -81.3 130.5 20.0 -3.9 -6.5 45 67 A S S S+ 0 0 44 -2,-0.4 2,-0.4 1,-0.1 -1,-0.1 0.813 90.3 38.2 -56.8 -34.9 16.3 -3.0 -6.1 46 68 A V + 0 0 39 -3,-0.0 2,-0.3 166,-0.0 -1,-0.1 -0.978 68.0 169.0-123.7 133.5 17.1 0.7 -7.0 47 69 A T - 0 0 102 -2,-0.4 2,-0.3 95,-0.0 107,-0.0 -0.886 26.9-123.0-134.4 162.1 19.6 1.9 -9.6 48 70 A F - 0 0 45 -2,-0.3 4,-0.1 2,-0.2 -2,-0.0 -0.816 16.0-122.3-114.7 151.8 20.2 5.3 -11.0 49 71 A D S S+ 0 0 174 -2,-0.3 2,-0.2 2,-0.0 -1,-0.1 0.758 90.4 41.9 -61.6 -34.4 20.2 6.6 -14.7 50 72 A G S S- 0 0 29 1,-0.1 -2,-0.2 104,-0.1 2,-0.2 -0.553 92.2 -90.6-110.6 178.2 23.7 7.9 -14.7 51 73 A K >> - 0 0 50 -2,-0.2 3,-1.6 1,-0.1 4,-0.5 -0.503 49.6-102.8 -78.9 155.9 27.2 6.9 -13.6 52 74 A R G >4 S+ 0 0 39 1,-0.3 3,-1.8 2,-0.2 4,-0.5 0.852 119.1 63.1 -52.5 -38.6 28.1 8.2 -10.0 53 75 A E G >4 S+ 0 0 93 1,-0.3 3,-0.7 2,-0.2 -1,-0.3 0.745 93.6 61.7 -60.3 -27.0 30.3 11.0 -11.4 54 76 A D G <4 S+ 0 0 107 -3,-1.6 -1,-0.3 1,-0.2 4,-0.3 0.740 104.5 51.2 -69.0 -22.3 27.3 12.7 -13.1 55 77 A Y G S+ 0 0 14 -3,-0.7 4,-2.5 -4,-0.5 3,-0.4 0.891 85.6 55.5 -55.7 -42.8 28.9 14.8 -7.9 57 79 A P H > S+ 0 0 88 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.875 109.6 47.4 -57.9 -35.5 27.7 18.4 -8.9 58 80 A D H > S+ 0 0 96 -3,-0.4 4,-1.9 -4,-0.3 -2,-0.2 0.765 109.9 52.2 -74.0 -28.1 24.3 17.7 -7.2 59 81 A L H X S+ 0 0 1 -4,-1.4 4,-2.7 -3,-0.4 5,-0.2 0.951 112.2 46.1 -70.7 -46.1 26.1 16.4 -4.1 60 82 A X H X S+ 0 0 38 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.919 113.0 49.6 -57.5 -50.3 28.2 19.6 -4.0 61 83 A K H X S+ 0 0 58 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.913 114.2 45.0 -58.2 -46.7 25.0 21.8 -4.5 62 84 A W H X S+ 0 0 19 -4,-1.9 4,-1.2 2,-0.2 -2,-0.2 0.919 114.3 47.6 -63.7 -48.5 23.1 20.0 -1.7 63 85 A A H ><>S+ 0 0 0 -4,-2.7 5,-2.9 1,-0.2 3,-0.6 0.928 113.5 49.7 -58.0 -45.5 26.1 20.1 0.7 64 86 A S H ><5S+ 0 0 61 -4,-2.8 3,-1.7 1,-0.2 -2,-0.2 0.903 108.8 51.8 -56.0 -49.3 26.6 23.8 -0.1 65 87 A E H 3<5S+ 0 0 147 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.684 110.1 50.0 -65.0 -21.8 22.8 24.6 0.5 66 88 A N T <<5S- 0 0 52 -4,-1.2 -1,-0.3 -3,-0.6 -2,-0.2 0.104 127.4 -95.9-106.3 18.2 23.1 22.9 3.9 67 89 A G T < 5S+ 0 0 40 -3,-1.7 -3,-0.2 1,-0.2 2,-0.2 0.587 73.8 141.7 82.8 17.3 26.1 24.8 5.0 68 90 A A < - 0 0 9 -5,-2.9 2,-0.4 -6,-0.2 -1,-0.2 -0.527 59.9-100.6 -87.6 160.0 29.1 22.5 4.1 69 91 A S + 0 0 11 30,-1.7 30,-0.1 -2,-0.2 -1,-0.1 -0.644 48.9 160.0 -77.2 126.1 32.4 23.8 2.7 70 92 A V > + 0 0 41 -2,-0.4 3,-0.6 -6,-0.1 2,-0.2 0.494 38.5 101.2-125.1 -13.7 32.4 23.2 -1.1 71 93 A E T 3 S+ 0 0 117 1,-0.2 3,-0.1 26,-0.1 -2,-0.0 -0.481 73.6 25.6 -77.3 147.2 35.2 25.6 -2.3 72 94 A G T 3 S+ 0 0 5 1,-0.2 16,-2.3 -2,-0.2 17,-0.7 0.454 106.5 64.7 87.6 5.2 38.8 24.7 -3.2 73 95 A F E < -A 87 0A 8 -3,-0.6 2,-0.3 14,-0.3 14,-0.2 -0.946 52.2-165.5-148.4 169.1 38.4 21.0 -4.2 74 96 A E E -A 86 0A 73 12,-1.6 12,-2.6 -2,-0.3 2,-0.4 -0.942 33.9 -98.3-149.9 162.4 36.7 18.7 -6.8 75 97 A X E +A 85 0A 27 -2,-0.3 2,-0.3 10,-0.2 10,-0.2 -0.761 44.6 178.8 -88.6 127.8 36.0 14.9 -7.1 76 98 A V E -A 84 0A 23 8,-2.3 8,-1.5 -2,-0.4 2,-1.0 -0.978 33.5-119.7-131.9 142.1 38.6 13.1 -9.3 77 99 A N E -A 83 0A 108 -2,-0.3 2,-0.3 6,-0.2 6,-0.2 -0.732 35.0-156.8 -81.6 105.7 39.0 9.4 -10.3 78 100 A F E > -A 82 0A 32 4,-2.3 4,-1.7 -2,-1.0 -2,-0.0 -0.655 16.6-134.1 -87.4 139.9 42.4 8.4 -8.8 79 101 A K T 4 S+ 0 0 128 -2,-0.3 -1,-0.1 1,-0.2 4,-0.1 0.928 102.4 30.8 -55.5 -48.7 44.2 5.4 -10.4 80 102 A E T 4 S+ 0 0 125 1,-0.1 -1,-0.2 2,-0.1 -3,-0.0 0.855 131.6 26.6 -85.9 -33.6 45.1 3.9 -7.0 81 103 A E T 4 S- 0 0 29 1,-0.4 2,-0.2 220,-0.0 -2,-0.2 0.475 94.0-130.3-111.0 -1.5 42.2 4.8 -4.6 82 104 A G E < S+A 78 0A 26 -4,-1.7 -4,-2.3 170,-0.0 -1,-0.4 -0.545 71.1 5.9 81.9-149.9 39.2 5.3 -6.9 83 105 A F E S+A 77 0A 24 386,-0.9 2,-0.3 -6,-0.2 -6,-0.2 -0.246 79.2 139.1 -70.4 145.4 37.2 8.6 -6.4 84 106 A G E -A 76 0A 0 -8,-1.5 -8,-2.3 167,-0.1 2,-0.4 -0.925 50.2 -71.9-164.5-173.9 38.5 11.2 -4.0 85 107 A L E -AB 75 283A 0 198,-0.6 198,-3.0 -2,-0.3 2,-0.4 -0.837 34.3-168.0-103.8 138.7 39.1 14.9 -3.5 86 108 A R E -AB 74 282A 82 -12,-2.6 -12,-1.6 -2,-0.4 196,-0.2 -0.991 26.2-117.8-127.0 126.8 41.7 17.0 -5.3 87 109 A A E -A 73 0A 1 194,-2.6 193,-3.4 -2,-0.4 -14,-0.3 -0.441 15.7-163.7 -64.4 134.6 42.6 20.5 -4.2 88 110 A T S S+ 0 0 71 -16,-2.3 2,-0.3 191,-0.2 -15,-0.2 0.397 78.0 18.4 -96.8 -1.7 41.9 23.2 -6.9 89 111 A R S S- 0 0 70 -17,-0.7 192,-0.1 189,-0.1 191,-0.1 -0.945 101.5 -70.3-156.2 168.2 44.2 25.7 -5.1 90 112 A D - 0 0 79 -2,-0.3 2,-0.4 189,-0.1 188,-0.2 -0.375 43.3-151.5 -66.7 142.7 47.0 25.7 -2.5 91 113 A I B -C 277 0B 2 186,-2.8 186,-2.5 -2,-0.1 2,-0.3 -0.966 10.3-140.1-119.4 134.1 45.9 24.9 1.0 92 114 A K > - 0 0 108 -2,-0.4 3,-1.7 184,-0.2 181,-0.2 -0.705 27.4 -93.4 -98.1 150.6 47.9 26.3 3.9 93 115 A A T 3 S+ 0 0 32 -2,-0.3 181,-0.2 1,-0.2 3,-0.1 -0.313 112.5 23.2 -58.3 139.9 48.8 24.5 7.2 94 116 A E T 3 S+ 0 0 171 179,-3.1 2,-0.3 1,-0.3 -1,-0.2 0.313 88.3 142.0 80.2 0.4 46.2 25.1 10.0 95 117 A E < - 0 0 45 -3,-1.7 178,-2.4 178,-0.2 2,-1.2 -0.542 57.9-129.4 -70.3 131.1 43.5 25.9 7.4 96 118 A L E +D 272 0C 49 -2,-0.3 176,-0.2 176,-0.2 3,-0.1 -0.725 39.3 173.9 -79.8 101.5 40.1 24.5 8.4 97 119 A F E + 0 0 11 174,-1.8 2,-0.4 -2,-1.2 -1,-0.2 0.914 51.9 24.2 -84.5 -49.4 39.5 22.8 5.1 98 120 A L E +D 271 0C 1 173,-1.6 173,-2.6 -28,-0.0 2,-0.3 -0.956 55.2 173.5-120.1 143.9 36.3 20.8 5.4 99 121 A W E -D 270 0C 76 -2,-0.4 -30,-1.7 171,-0.2 171,-0.2 -0.976 7.7-170.4-142.9 136.5 33.2 21.2 7.6 100 122 A V E -D 269 0C 0 169,-2.0 169,-2.3 -2,-0.3 -32,-0.1 -0.934 22.1-132.0-129.5 107.5 30.1 19.1 7.4 101 123 A P E >> -D 268 0C 27 0, 0.0 3,-1.8 0, 0.0 4,-0.5 -0.209 24.2-114.9 -58.4 146.7 27.0 20.2 9.5 102 124 A R G >4 S+ 0 0 44 165,-2.1 3,-1.2 1,-0.3 166,-0.1 0.789 110.1 73.6 -51.4 -32.9 25.2 17.4 11.5 103 125 A K G 34 S+ 0 0 66 1,-0.3 -1,-0.3 164,-0.2 165,-0.1 0.794 95.0 51.7 -52.7 -32.8 22.0 18.0 9.4 104 126 A L G <4 S+ 0 0 1 -3,-1.8 -1,-0.3 -38,-0.2 -2,-0.2 0.727 92.3 99.0 -77.5 -24.7 23.8 16.2 6.4 105 127 A L << - 0 0 4 -3,-1.2 2,-0.5 -4,-0.5 140,-0.2 -0.154 66.1-140.0 -67.4 155.3 24.8 13.1 8.3 106 128 A X E +F 244 0D 0 138,-1.8 138,-2.3 4,-0.0 2,-0.2 -0.991 39.7 157.5-114.5 119.7 23.0 9.8 8.4 107 129 A T E > -F 243 0D 11 -2,-0.5 4,-1.7 136,-0.2 136,-0.2 -0.786 60.6 -96.4-132.5 179.9 23.0 8.4 12.0 108 130 A V H > S+ 0 0 14 134,-0.6 4,-2.5 -2,-0.2 5,-0.2 0.871 127.4 55.4 -66.3 -35.5 21.1 5.9 14.2 109 131 A E H > S+ 0 0 103 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.871 108.7 44.5 -66.1 -39.2 19.3 9.1 15.4 110 132 A S H 4 S+ 0 0 18 2,-0.2 4,-0.3 1,-0.2 -1,-0.2 0.823 113.1 54.1 -72.7 -30.1 18.2 10.0 11.8 111 133 A A H >< S+ 0 0 0 -4,-1.7 3,-0.8 2,-0.2 5,-0.5 0.903 106.4 49.9 -66.2 -47.3 17.3 6.3 11.3 112 134 A K H 3< S+ 0 0 87 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.777 112.9 47.4 -63.3 -33.2 15.0 6.2 14.4 113 135 A N T 3< S+ 0 0 126 -4,-1.1 -1,-0.2 -5,-0.2 -2,-0.2 0.478 103.5 82.5 -88.3 -5.2 13.2 9.4 13.1 114 136 A S S X S- 0 0 22 -3,-0.8 3,-2.4 -4,-0.3 -3,-0.1 -0.303 108.3 -82.7 -88.7-178.4 12.9 7.9 9.6 115 137 A V T 3 S+ 0 0 57 1,-0.3 4,-0.3 2,-0.1 91,-0.1 0.605 128.4 66.6 -57.8 -11.6 10.2 5.5 8.1 116 138 A L T 3> S+ 0 0 2 -5,-0.5 4,-2.5 1,-0.2 3,-0.3 0.587 74.0 89.9 -87.3 -16.8 12.5 2.8 9.8 117 139 A G H <> S+ 0 0 11 -3,-2.4 4,-3.0 -6,-0.3 5,-0.2 0.905 82.4 53.1 -48.0 -55.8 11.8 4.0 13.4 118 140 A P H > S+ 0 0 85 0, 0.0 4,-1.0 0, 0.0 -1,-0.2 0.873 115.3 41.1 -51.4 -43.6 8.7 1.7 14.0 119 141 A L H > S+ 0 0 12 -3,-0.3 4,-2.1 -4,-0.3 -2,-0.2 0.873 114.4 52.9 -71.5 -36.7 10.8 -1.4 12.9 120 142 A Y H < S+ 0 0 29 -4,-2.5 -1,-0.2 1,-0.2 -3,-0.2 0.897 106.9 52.5 -62.1 -44.5 13.9 -0.2 14.9 121 143 A S H < S+ 0 0 84 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.816 117.7 37.7 -61.2 -32.7 11.8 0.2 18.1 122 144 A Q H < S+ 0 0 74 -4,-1.0 2,-0.5 -5,-0.2 -2,-0.2 0.689 100.7 82.7 -93.3 -25.7 10.5 -3.4 17.7 123 145 A D X - 0 0 12 -4,-2.1 4,-1.0 1,-0.1 -1,-0.0 -0.769 53.9-166.9 -92.9 123.7 13.7 -5.2 16.5 124 146 A R H > S+ 0 0 66 -2,-0.5 4,-1.4 2,-0.2 -1,-0.1 0.797 89.4 55.8 -71.9 -35.2 16.3 -6.2 19.1 125 147 A I H > S+ 0 0 69 1,-0.2 4,-1.0 2,-0.2 3,-0.4 0.928 108.7 47.6 -64.7 -45.2 19.1 -6.9 16.4 126 148 A L H 4 S+ 0 0 5 1,-0.2 7,-0.3 2,-0.2 -1,-0.2 0.790 110.4 54.1 -62.1 -34.0 18.7 -3.3 15.0 127 149 A Q H < S+ 0 0 95 -4,-1.0 -1,-0.2 1,-0.2 -2,-0.2 0.791 112.3 41.4 -71.6 -35.1 18.9 -2.0 18.6 128 150 A A H < S+ 0 0 90 -4,-1.4 2,-0.4 -3,-0.4 -2,-0.2 0.553 113.9 55.1 -89.4 -14.9 22.2 -3.7 19.5 129 151 A X X + 0 0 77 -4,-1.0 4,-2.3 1,-0.1 3,-0.3 -0.821 55.2 178.3-128.1 89.7 23.9 -3.0 16.1 130 152 A G H > S+ 0 0 25 -2,-0.4 4,-2.0 1,-0.2 -1,-0.1 0.823 85.1 56.7 -55.8 -37.6 24.0 0.7 15.1 131 153 A N H > S+ 0 0 61 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.884 109.0 45.2 -62.8 -42.4 26.0 -0.2 11.9 132 154 A I H > S+ 0 0 4 -3,-0.3 4,-2.4 2,-0.2 -2,-0.2 0.928 112.6 51.4 -70.3 -39.6 23.2 -2.7 10.8 133 155 A A H X S+ 0 0 0 -4,-2.3 4,-2.0 -7,-0.3 -2,-0.2 0.862 111.6 47.7 -60.1 -38.3 20.5 -0.0 11.7 134 156 A L H X S+ 0 0 1 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.899 107.7 55.8 -69.3 -42.5 22.5 2.5 9.6 135 157 A A H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.929 112.0 43.1 -55.5 -45.7 22.7 -0.1 6.7 136 158 A F H X S+ 0 0 1 -4,-2.4 4,-3.0 2,-0.2 -2,-0.2 0.868 110.9 54.2 -69.3 -38.1 18.9 -0.3 6.7 137 159 A H H X S+ 0 0 0 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.887 110.2 48.5 -62.6 -38.0 18.5 3.5 7.0 138 160 A L H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.923 112.7 47.9 -67.5 -42.9 20.7 3.7 3.9 139 161 A L H X S+ 0 0 4 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.931 111.9 48.5 -61.3 -51.8 18.5 1.1 2.1 140 162 A C H < S+ 0 0 1 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.843 116.0 43.6 -57.3 -42.4 15.2 2.7 3.0 141 163 A E H >< S+ 0 0 19 -4,-1.8 3,-1.1 2,-0.2 6,-0.3 0.822 107.7 58.0 -75.4 -34.7 16.4 6.2 1.9 142 164 A R H 3< S+ 0 0 8 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.944 111.0 44.6 -56.5 -47.0 18.0 4.8 -1.3 143 165 A A T 3< S+ 0 0 27 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.336 96.5 85.5 -79.3 -0.7 14.5 3.5 -2.3 144 166 A S X - 0 0 30 -3,-1.1 3,-1.5 1,-0.1 6,-0.1 -0.927 64.9-161.6-104.6 106.7 12.7 6.8 -1.3 145 167 A P T 3 S+ 0 0 108 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.745 88.9 47.2 -63.7 -25.8 12.9 9.1 -4.3 146 168 A N T 3 S+ 0 0 166 4,-0.0 -5,-0.0 3,-0.0 -2,-0.0 0.268 83.5 140.1 -98.1 10.0 12.2 12.3 -2.4 147 169 A S X - 0 0 15 -3,-1.5 3,-1.2 -6,-0.3 -6,-0.0 -0.179 59.2-131.7 -56.7 141.7 14.7 11.5 0.4 148 170 A F T 3 S+ 0 0 83 1,-0.2 4,-0.2 2,-0.1 -1,-0.1 0.821 107.7 54.9 -63.3 -29.1 16.8 14.4 1.7 149 171 A W T >> S+ 0 0 31 1,-0.2 4,-2.5 2,-0.1 3,-0.8 0.372 72.7 106.9 -90.4 4.1 19.9 12.1 1.3 150 172 A Q H <> S+ 0 0 15 -3,-1.2 4,-2.6 1,-0.2 -1,-0.2 0.865 75.1 55.9 -53.5 -44.5 19.4 11.3 -2.4 151 173 A P H 34 S+ 0 0 27 0, 0.0 4,-0.3 0, 0.0 -1,-0.2 0.868 114.8 42.1 -59.5 -29.8 22.3 13.6 -3.6 152 174 A Y H X4 S+ 0 0 2 -3,-0.8 3,-1.4 2,-0.2 4,-0.3 0.944 114.5 47.6 -76.5 -53.2 24.6 11.6 -1.3 153 175 A I H >< S+ 0 0 1 -4,-2.5 3,-1.4 1,-0.3 -3,-0.2 0.880 107.6 57.3 -58.5 -39.4 23.2 8.0 -2.0 154 176 A Q T 3< S+ 0 0 45 -4,-2.6 -1,-0.3 1,-0.3 -99,-0.2 0.656 107.2 48.9 -67.4 -16.5 23.4 8.7 -5.8 155 177 A T T < S+ 0 0 2 -3,-1.4 -1,-0.3 -4,-0.3 -2,-0.2 0.352 89.4 106.5-101.6 1.1 27.2 9.5 -5.5 156 178 A L S < S- 0 0 4 -3,-1.4 -104,-0.1 -4,-0.3 68,-0.0 -0.519 82.9 -94.8 -76.2 152.9 28.0 6.3 -3.5 157 179 A P - 0 0 13 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.220 21.5-142.1 -62.9 155.5 29.8 3.3 -5.2 158 180 A S S S+ 0 0 60 1,-0.1 2,-0.3 -3,-0.1 62,-0.1 0.538 84.3 16.4 -92.9 -10.0 27.5 0.6 -6.6 159 181 A E - 0 0 116 64,-0.0 2,-0.3 61,-0.0 -1,-0.1 -0.955 68.9-150.9-155.9 160.8 30.0 -2.2 -5.5 160 182 A Y - 0 0 7 -2,-0.3 140,-0.1 2,-0.1 64,-0.1 -0.827 25.5-123.3-133.7 168.1 33.0 -2.6 -3.1 161 183 A D + 0 0 45 -2,-0.3 139,-0.1 138,-0.2 138,-0.1 -0.017 65.5 129.2-101.9 27.1 36.2 -4.6 -2.8 162 184 A T S > S- 0 0 0 137,-0.1 3,-2.9 136,-0.1 4,-0.2 -0.483 79.9-101.2 -71.8 154.9 35.3 -6.1 0.6 163 185 A P G > S+ 0 0 1 0, 0.0 3,-1.7 0, 0.0 8,-0.1 0.715 119.2 75.9 -53.4 -21.1 35.6 -10.0 0.8 164 186 A L G 3 S+ 0 0 0 1,-0.3 55,-0.1 133,-0.2 -3,-0.1 0.698 99.1 45.3 -58.0 -22.5 31.8 -10.1 0.5 165 187 A Y G < S+ 0 0 16 -3,-2.9 -1,-0.3 54,-0.1 2,-0.1 0.348 89.2 113.0-103.8 0.1 32.4 -9.3 -3.3 166 188 A F < - 0 0 2 -3,-1.7 2,-0.2 -4,-0.2 -4,-0.0 -0.436 65.7-124.2 -75.7 150.5 35.3 -11.7 -3.9 167 189 A E >> - 0 0 105 -2,-0.1 4,-1.9 1,-0.1 3,-1.1 -0.497 32.2-103.7 -82.7 160.9 34.9 -14.7 -6.2 168 190 A E H 3> S+ 0 0 54 1,-0.3 4,-2.0 2,-0.2 -1,-0.1 0.871 124.2 54.0 -54.1 -39.1 35.6 -18.3 -4.7 169 191 A D H 3> S+ 0 0 109 2,-0.2 4,-0.5 1,-0.2 -1,-0.3 0.732 106.9 51.8 -67.3 -26.2 39.0 -18.3 -6.6 170 192 A E H X4 S+ 0 0 25 -3,-1.1 3,-0.9 2,-0.2 -2,-0.2 0.935 111.9 43.9 -76.4 -47.6 39.9 -14.9 -4.9 171 193 A V H >< S+ 0 0 0 -4,-1.9 3,-2.8 1,-0.2 4,-0.2 0.825 101.9 71.3 -62.3 -36.8 39.2 -16.1 -1.3 172 194 A R H >< S+ 0 0 95 -4,-2.0 3,-1.6 1,-0.3 -1,-0.2 0.786 87.2 64.2 -49.8 -35.6 41.0 -19.4 -2.2 173 195 A Y T << S+ 0 0 70 -3,-0.9 -1,-0.3 -4,-0.5 -2,-0.2 0.687 97.2 57.5 -62.1 -22.5 44.3 -17.4 -2.2 174 196 A L T < S+ 0 0 0 -3,-2.8 6,-0.5 -4,-0.2 3,-0.5 0.387 75.0 127.3 -92.8 2.1 43.6 -16.8 1.6 175 197 A Q S < S+ 0 0 62 -3,-1.6 241,-0.4 1,-0.2 3,-0.1 -0.344 75.0 20.0 -61.4 137.7 43.5 -20.6 2.5 176 198 A S S S+ 0 0 58 1,-0.3 240,-0.3 239,-0.1 2,-0.3 0.944 102.6 110.1 65.3 51.0 45.9 -21.3 5.4 177 199 A T S S- 0 0 8 -3,-0.5 4,-0.4 238,-0.1 -1,-0.3 -0.931 75.9-119.9-139.8 167.4 46.2 -17.7 6.7 178 200 A Q S >> S+ 0 0 44 -2,-0.3 3,-1.1 1,-0.2 4,-0.5 0.887 110.4 59.3 -75.2 -41.9 45.0 -15.9 9.8 179 201 A A H >> S+ 0 0 0 1,-0.2 4,-1.6 2,-0.2 3,-1.0 0.795 89.4 70.5 -56.1 -35.8 42.9 -13.4 7.8 180 202 A I H 3> S+ 0 0 6 -6,-0.5 4,-2.6 1,-0.2 -1,-0.2 0.838 91.4 61.7 -55.0 -32.0 40.7 -16.2 6.1 181 203 A H H <> S+ 0 0 110 -3,-1.1 4,-1.9 -4,-0.4 -1,-0.2 0.862 105.5 44.4 -62.3 -40.6 39.0 -16.8 9.6 182 204 A D H S- 0 0 4 -3,-0.2 3,-1.5 1,-0.1 4,-0.4 -0.447 83.2-127.6 -69.3 145.3 9.1 0.3 4.3 208 233 A P T 3> S+ 0 0 48 0, 0.0 4,-1.0 0, 0.0 3,-0.3 0.564 105.4 77.3 -73.7 -2.8 10.0 0.3 0.5 209 234 A L T 34 S+ 0 0 7 2,-0.2 -8,-0.1 1,-0.2 -4,-0.0 0.602 77.4 71.1 -76.0 -19.2 11.9 -2.9 1.4 210 235 A K T <4 S+ 0 0 65 -3,-1.5 -1,-0.2 1,-0.2 3,-0.2 0.923 101.5 45.0 -63.1 -43.7 8.5 -4.9 1.6 211 236 A D T 4 S+ 0 0 100 -4,-0.4 2,-0.3 -3,-0.3 -2,-0.2 0.905 134.4 0.9 -65.1 -49.2 8.3 -4.5 -2.3 212 237 A S < + 0 0 45 -4,-1.0 -1,-0.2 2,-0.0 2,-0.2 -0.951 58.5 157.4-151.4 125.2 12.0 -5.5 -2.9 213 238 A F - 0 0 5 -2,-0.3 -169,-0.1 -3,-0.2 2,-0.1 -0.678 22.2-179.1-146.5 84.2 14.9 -6.5 -0.6 214 239 A T > - 0 0 5 -171,-0.2 4,-1.5 -2,-0.2 3,-0.1 -0.294 41.0-115.0 -82.6 166.3 17.6 -8.5 -2.4 215 240 A Y H > S+ 0 0 2 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.920 119.8 57.2 -63.9 -44.1 20.9 -10.1 -1.0 216 241 A E H > S+ 0 0 43 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.757 103.9 54.1 -56.2 -29.6 22.8 -7.6 -3.3 217 242 A D H > S+ 0 0 4 -174,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.919 112.0 42.5 -69.6 -47.5 20.9 -4.7 -1.5 218 243 A Y H X S+ 0 0 0 -4,-1.5 4,-2.5 2,-0.2 5,-0.3 0.894 114.1 50.1 -68.3 -42.7 22.0 -6.0 1.9 219 244 A R H X S+ 0 0 25 -4,-2.9 4,-1.8 1,-0.2 -1,-0.2 0.884 113.4 47.5 -63.1 -39.7 25.6 -6.7 0.8 220 245 A W H X S+ 0 0 0 -4,-1.7 4,-2.1 -5,-0.2 -2,-0.2 0.910 113.5 48.1 -67.6 -43.7 25.8 -3.1 -0.7 221 246 A A H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.910 115.1 41.6 -63.4 -52.0 24.3 -1.5 2.5 222 247 A V H X S+ 0 0 10 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.833 117.1 49.2 -68.5 -34.2 26.6 -3.2 5.1 223 248 A S H X S+ 0 0 0 -4,-1.8 4,-1.9 -5,-0.3 -2,-0.2 0.846 110.1 51.8 -72.3 -35.1 29.7 -2.8 2.8 224 249 A S H X S+ 0 0 0 -4,-2.1 4,-0.7 2,-0.2 -2,-0.2 0.912 115.0 43.6 -62.8 -44.1 28.8 1.0 2.3 225 250 A V H >X S+ 0 0 3 -4,-2.0 4,-3.0 1,-0.2 3,-0.7 0.950 115.2 45.1 -70.3 -52.4 28.6 1.3 6.1 226 251 A X H 3< S+ 0 0 37 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.797 116.6 45.7 -64.9 -32.5 31.7 -0.7 7.0 227 252 A T H 3< S+ 0 0 6 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.593 129.2 24.7 -82.3 -15.7 33.9 1.1 4.3 228 253 A R H << S+ 0 0 5 -4,-0.7 17,-0.4 -3,-0.7 -2,-0.2 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-3,-2.0 -3,-0.2 -6,-0.3 -1,-0.2 -0.620 73.0-176.0-119.8 71.0 62.5 -3.8 33.8 391 416 A P - 0 0 31 0, 0.0 3,-0.1 0, 0.0 -5,-0.0 -0.330 27.2-139.5 -64.3 147.0 63.2 -7.5 33.1 392 417 A V S S- 0 0 30 1,-0.4 2,-0.3 -7,-0.1 3,-0.1 0.916 81.5 -31.4 -68.7 -46.0 62.1 -10.0 35.8 393 418 A S > - 0 0 31 1,-0.1 4,-1.7 -3,-0.0 -1,-0.4 -0.946 55.0-111.8-163.4 160.4 65.4 -11.9 35.2 394 419 A W H > S+ 0 0 101 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.893 120.7 58.0 -65.0 -36.0 67.7 -12.6 32.2 395 420 A D H > S+ 0 0 83 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.907 105.3 48.2 -57.2 -47.1 66.5 -16.2 32.6 396 421 A N H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.884 112.4 49.0 -62.2 -42.0 62.9 -15.1 32.1 397 422 A E H X S+ 0 0 2 -4,-1.7 4,-2.6 2,-0.2 5,-0.3 0.944 110.1 50.4 -63.2 -51.2 63.8 -13.0 29.0 398 423 A V H X S+ 0 0 28 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.936 113.3 47.3 -54.2 -48.3 65.8 -15.9 27.4 399 424 A K H X S+ 0 0 71 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.903 113.4 46.1 -61.5 -45.0 62.8 -18.3 27.9 400 425 A L H X S+ 0 0 0 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A E H > S+ 0 0 141 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.875 109.1 51.8 -64.6 -40.3 59.1 -16.0 -3.4 421 446 A E H > S+ 0 0 98 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.854 109.1 50.5 -64.8 -38.9 56.0 -17.9 -4.8 422 447 A D H X S+ 0 0 0 -4,-1.7 4,-2.3 1,-0.2 -2,-0.2 0.911 112.1 46.5 -65.1 -43.3 53.7 -15.0 -3.6 423 448 A K H < S+ 0 0 106 -4,-1.9 4,-0.2 2,-0.2 -2,-0.2 0.771 112.1 50.9 -69.5 -31.5 56.0 -12.4 -5.3 424 449 A S H >< S+ 0 0 84 -4,-1.7 3,-2.0 2,-0.2 4,-0.3 0.965 110.8 48.3 -69.7 -51.2 56.1 -14.6 -8.5 425 450 A V H >< S+ 0 0 51 -4,-2.5 3,-2.2 1,-0.3 -2,-0.2 0.898 105.0 60.6 -51.9 -45.2 52.3 -14.8 -8.5 426 451 A L T 3< S+ 0 0 46 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.586 89.5 71.4 -64.0 -9.7 52.1 -11.0 -8.0 427 452 A K T < + 0 0 87 -3,-2.0 2,-1.0 -4,-0.2 -1,-0.3 0.674 69.9 105.5 -79.7 -16.7 54.0 -10.5 -11.3 428 453 A N X - 0 0 76 -3,-2.2 3,-1.8 -4,-0.3 -1,-0.0 -0.542 58.8-162.5 -69.2 100.2 50.8 -11.6 -13.2 429 454 A H T 3 S+ 0 0 172 -2,-1.0 -1,-0.2 1,-0.3 -3,-0.0 0.639 85.0 59.7 -55.1 -23.6 49.5 -8.2 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