==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 06-AUG-01 1JQE . COMPND 2 MOLECULE: HISTAMINE N-METHYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.R.HORTON,K.SAWADA,M.NISHIBORI,X.ZHANG,X.CHENG . 562 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24354.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 430 76.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 56 10.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 52 9.3 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 . 50 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 66 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 190 33.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.4 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 1 0 0 1 2 5 9 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 2 0 4 2 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 2 2 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 2 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 13 A G > 0 0 87 0, 0.0 4,-1.4 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -34.3 46.5 -32.7 12.0 2 14 A K H > + 0 0 166 2,-0.2 4,-3.4 1,-0.2 5,-0.2 0.784 360.0 67.3 -78.0 -27.7 47.6 -35.0 9.2 3 15 A Y H > S+ 0 0 202 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.955 107.1 39.5 -56.2 -50.9 44.9 -33.9 6.9 4 16 A V H > S+ 0 0 18 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.915 118.5 46.6 -65.8 -44.9 46.5 -30.4 6.6 5 17 A E H X S+ 0 0 41 -4,-1.4 4,-1.9 1,-0.2 -1,-0.2 0.877 111.9 52.8 -64.9 -36.8 50.0 -31.8 6.5 6 18 A S H X S+ 0 0 33 -4,-3.4 4,-1.9 1,-0.2 -2,-0.2 0.906 109.2 48.4 -64.8 -42.4 48.9 -34.4 3.9 7 19 A F H X S+ 0 0 21 -4,-2.2 4,-2.7 -5,-0.2 -1,-0.2 0.880 108.6 54.0 -66.3 -37.3 47.4 -31.7 1.7 8 20 A R H X S+ 0 0 56 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.895 107.2 51.2 -63.9 -38.2 50.6 -29.6 1.9 9 21 A R H X S+ 0 0 74 -4,-1.9 4,-0.9 2,-0.2 -1,-0.2 0.907 110.0 50.5 -64.6 -39.9 52.6 -32.7 0.8 10 22 A F H >< S+ 0 0 3 -4,-1.9 3,-0.9 2,-0.2 -2,-0.2 0.939 110.4 48.2 -61.7 -48.6 50.2 -33.0 -2.1 11 23 A L H >< S+ 0 0 15 -4,-2.7 3,-1.5 1,-0.3 -2,-0.2 0.919 108.9 54.6 -57.9 -43.7 50.6 -29.3 -3.0 12 24 A N H 3< S+ 0 0 110 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.694 114.8 41.0 -63.6 -19.9 54.4 -29.7 -2.8 13 25 A H T << S+ 0 0 50 -3,-0.9 200,-2.6 -4,-0.9 2,-0.3 -0.033 112.3 58.3-120.3 32.1 54.2 -32.6 -5.3 14 26 A S B < S-A 212 0A 21 -3,-1.5 198,-0.2 198,-0.3 3,-0.2 -0.952 75.1-125.3-150.4 166.3 51.7 -31.2 -7.7 15 27 A T S > S+ 0 0 41 196,-2.3 4,-3.0 -2,-0.3 5,-0.2 0.057 72.4 120.1-102.0 22.8 51.2 -28.2 -10.0 16 28 A E H > S+ 0 0 0 195,-0.3 4,-2.6 1,-0.2 5,-0.2 0.943 76.5 37.7 -53.6 -59.2 47.9 -27.4 -8.4 17 29 A H H > S+ 0 0 36 1,-0.2 4,-2.4 -3,-0.2 -1,-0.2 0.814 116.3 54.4 -66.2 -27.7 48.6 -24.0 -7.1 18 30 A Q H > S+ 0 0 134 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.903 108.9 48.9 -69.0 -42.0 50.6 -23.2 -10.2 19 31 A C H X S+ 0 0 4 -4,-3.0 4,-2.1 2,-0.2 -2,-0.2 0.948 112.6 47.0 -61.4 -50.0 47.5 -24.2 -12.3 20 32 A M H X S+ 0 0 0 -4,-2.6 4,-3.2 1,-0.2 -2,-0.2 0.909 109.8 53.8 -59.4 -41.9 45.3 -22.0 -10.2 21 33 A Q H X S+ 0 0 51 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.891 106.4 52.7 -59.5 -39.7 47.8 -19.2 -10.5 22 34 A E H X S+ 0 0 80 -4,-2.1 4,-2.4 2,-0.2 5,-0.3 0.913 111.7 46.2 -61.9 -42.2 47.6 -19.6 -14.2 23 35 A F H X>S+ 0 0 0 -4,-2.1 4,-3.0 2,-0.2 5,-1.8 0.933 112.2 49.7 -65.8 -45.9 43.8 -19.3 -14.0 24 36 A M H <5S+ 0 0 0 -4,-3.2 -2,-0.2 3,-0.2 -1,-0.2 0.842 114.9 45.5 -62.4 -34.6 44.0 -16.3 -11.7 25 37 A D H <5S+ 0 0 76 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.888 126.8 26.4 -75.5 -41.5 46.5 -14.6 -14.0 26 38 A K H <5S+ 0 0 143 -4,-2.4 4,-0.2 -5,-0.2 -2,-0.2 0.866 134.7 19.0 -92.1 -41.7 44.6 -15.3 -17.3 27 39 A K T X5S+ 0 0 103 -4,-3.0 4,-1.8 -5,-0.3 3,-0.4 0.795 105.9 70.3-104.4 -34.1 40.9 -15.7 -16.4 28 40 A L H >4 S+ 0 0 67 -3,-0.4 3,-0.9 -4,-0.2 -2,-0.2 0.903 113.5 53.8 -64.9 -40.4 37.8 -10.7 -16.6 31 43 A I H 3< S+ 0 0 14 -4,-1.8 3,-0.3 1,-0.2 -1,-0.2 0.859 117.4 34.7 -62.5 -39.4 35.7 -12.7 -14.2 32 44 A I T >< S+ 0 0 0 -4,-2.8 3,-0.5 1,-0.2 4,-0.5 0.254 84.7 114.3-100.7 13.5 35.9 -10.1 -11.4 33 45 A G T < S+ 0 0 18 -3,-0.9 -1,-0.2 -4,-0.3 -2,-0.1 0.642 89.0 22.6 -58.9 -17.7 35.9 -7.1 -13.8 34 46 A R T > S+ 0 0 158 -3,-0.3 3,-1.2 119,-0.2 -1,-0.2 0.424 88.5 100.3-130.9 1.1 32.6 -5.8 -12.5 35 47 A I T < S+ 0 0 0 -3,-0.5 -2,-0.1 1,-0.3 -3,-0.1 0.748 92.7 43.5 -61.3 -22.3 32.1 -7.2 -9.0 36 48 A G T > S+ 0 0 2 -4,-0.5 3,-2.3 6,-0.1 -1,-0.3 0.490 80.1 132.2-102.1 -3.5 33.2 -3.8 -7.6 37 49 A D T < S+ 0 0 53 -3,-1.2 3,-0.1 1,-0.3 -3,-0.1 -0.251 82.1 2.9 -54.1 130.6 31.3 -1.5 -9.9 38 50 A T T 3 S+ 0 0 145 1,-0.2 2,-0.4 2,-0.0 -1,-0.3 0.394 107.4 118.3 73.1 2.3 29.5 1.3 -8.0 39 51 A K < - 0 0 45 -3,-2.3 -1,-0.2 1,-0.1 3,-0.1 -0.802 51.4-165.5-107.7 141.3 30.9 0.1 -4.7 40 52 A S S S+ 0 0 109 -2,-0.4 30,-0.7 1,-0.2 2,-0.3 0.338 88.2 39.4 -97.3 3.6 33.1 1.8 -2.2 41 53 A E E S-d 70 0B 82 28,-0.1 2,-0.6 -5,-0.1 30,-0.2 -0.949 71.0-152.4-152.5 131.6 33.8 -1.5 -0.5 42 54 A I E -d 71 0B 0 28,-2.6 30,-2.9 -2,-0.3 2,-0.6 -0.933 12.2-155.1-110.7 119.8 34.4 -4.9 -2.0 43 55 A K E -d 72 0B 30 -2,-0.6 82,-2.2 28,-0.2 83,-1.4 -0.839 10.7-173.8 -99.3 119.4 33.4 -7.9 0.1 44 56 A I E -de 73 126B 0 28,-3.5 30,-2.8 -2,-0.6 2,-0.6 -0.947 7.9-159.7-114.9 129.0 35.1 -11.2 -0.6 45 57 A L E -de 74 127B 0 81,-3.0 83,-2.3 -2,-0.5 2,-0.7 -0.934 4.2-165.0-112.1 114.8 34.0 -14.4 1.1 46 58 A S E > -de 75 128B 0 28,-3.3 30,-3.2 -2,-0.6 2,-0.6 -0.875 2.5-164.1-100.9 113.6 36.6 -17.2 1.2 47 59 A I E 3 S-de 76 129B 1 81,-2.9 83,-0.7 -2,-0.7 30,-0.2 -0.875 79.7 -3.3 -99.9 121.1 35.2 -20.5 2.1 48 60 A G T 3 S+ 0 0 0 28,-3.6 -1,-0.2 -2,-0.6 29,-0.2 0.870 78.6 168.0 68.1 37.3 37.9 -23.0 3.1 49 61 A G X - 0 0 1 -3,-0.5 3,-2.0 27,-0.4 6,-0.4 0.587 16.9-175.5 -60.1 -12.5 40.6 -20.5 2.3 50 62 A G T 3 - 0 0 0 1,-0.3 36,-0.3 513,-0.2 -1,-0.2 -0.249 64.1 -6.0 57.1-128.8 43.2 -22.8 4.0 51 63 A A T 3 S- 0 0 3 34,-0.1 -1,-0.3 35,-0.1 38,-0.2 0.438 94.8-120.3 -80.7 -3.5 46.7 -21.3 4.1 52 64 A G S <> S+ 0 0 0 -3,-2.0 4,-2.5 37,-0.1 5,-0.2 0.338 74.6 123.5 85.3 -6.2 45.7 -18.2 2.0 53 65 A E H > S+ 0 0 50 1,-0.2 4,-1.2 2,-0.2 5,-0.1 0.942 84.9 36.3 -53.8 -53.2 48.1 -18.5 -1.0 54 66 A I H > S+ 0 0 4 -5,-0.2 4,-2.3 1,-0.2 3,-0.4 0.902 113.4 58.6 -67.7 -40.9 45.3 -18.6 -3.6 55 67 A D H > S+ 0 0 1 -6,-0.4 4,-2.5 1,-0.2 -1,-0.2 0.908 106.2 49.4 -53.3 -44.9 43.1 -16.1 -1.6 56 68 A L H X S+ 0 0 10 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.792 108.7 51.4 -66.7 -30.9 46.0 -13.6 -1.8 57 69 A Q H X S+ 0 0 62 -4,-1.2 4,-1.6 -3,-0.4 -1,-0.2 0.858 110.5 49.9 -73.2 -35.0 46.4 -14.0 -5.5 58 70 A I H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.939 110.9 49.6 -65.9 -46.6 42.6 -13.5 -5.9 59 71 A L H X S+ 0 0 0 -4,-2.5 4,-3.0 1,-0.2 5,-0.2 0.868 105.2 56.9 -60.9 -38.8 42.9 -10.3 -3.8 60 72 A S H X S+ 0 0 29 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.914 108.3 47.8 -60.8 -41.0 45.8 -9.0 -5.8 61 73 A K H X S+ 0 0 48 -4,-1.6 4,-1.7 2,-0.2 -1,-0.2 0.877 112.8 47.3 -68.0 -38.0 43.7 -9.2 -9.0 62 74 A V H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.918 112.3 50.1 -69.1 -41.4 40.7 -7.5 -7.3 63 75 A Q H < S+ 0 0 26 -4,-3.0 -2,-0.2 1,-0.2 6,-0.2 0.888 110.1 51.1 -62.0 -38.9 43.0 -4.7 -5.9 64 76 A A H < S+ 0 0 79 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.863 112.5 45.7 -65.9 -37.3 44.4 -4.3 -9.4 65 77 A Q H < S+ 0 0 86 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.801 124.2 33.0 -76.4 -30.6 41.0 -3.9 -10.9 66 78 A Y S >< S- 0 0 21 -4,-2.2 3,-1.8 -5,-0.1 -1,-0.2 -0.557 80.6-166.4-127.3 68.6 39.7 -1.5 -8.2 67 79 A P T 3 S+ 0 0 101 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.257 74.8 12.9 -57.4 137.0 42.6 0.6 -7.0 68 80 A G T 3 S+ 0 0 62 1,-0.2 2,-0.4 -5,-0.1 -5,-0.1 0.212 93.6 127.4 83.9 -15.9 41.9 2.5 -3.8 69 81 A V < - 0 0 26 -3,-1.8 -1,-0.2 -6,-0.2 2,-0.1 -0.624 63.5-120.5 -81.2 128.6 38.8 0.5 -3.0 70 82 A C E -d 41 0B 37 -30,-0.7 -28,-2.6 -2,-0.4 2,-0.5 -0.428 27.7-154.8 -66.0 134.1 38.7 -1.0 0.5 71 83 A I E -df 42 99B 0 27,-3.7 29,-3.4 -30,-0.2 2,-0.7 -0.956 8.4-157.7-117.7 128.7 38.4 -4.8 0.3 72 84 A N E -df 43 100B 20 -30,-2.9 -28,-3.5 -2,-0.5 2,-0.8 -0.921 12.1-172.3-105.6 110.9 36.9 -6.9 3.1 73 85 A N E -df 44 101B 0 27,-3.0 29,-1.7 -2,-0.7 2,-0.5 -0.883 4.7-174.9-107.5 102.3 38.2 -10.4 2.8 74 86 A E E -df 45 102B 29 -30,-2.8 -28,-3.3 -2,-0.8 2,-0.4 -0.848 7.6-155.5-103.1 135.3 36.4 -12.7 5.3 75 87 A V E -df 46 103B 0 27,-3.0 29,-2.8 -2,-0.5 2,-0.7 -0.919 12.9-161.8-116.4 131.7 37.5 -16.3 5.6 76 88 A V E +df 47 104B 0 -30,-3.2 -28,-3.6 -2,-0.4 -27,-0.4 -0.928 34.0 150.0-109.0 103.2 35.5 -19.3 6.8 77 89 A E - 0 0 0 27,-2.3 30,-0.2 -2,-0.7 6,-0.1 -0.958 34.4-163.0-141.6 116.9 38.1 -21.9 7.7 78 90 A P + 0 0 34 0, 0.0 2,-0.6 0, 0.0 29,-0.1 0.663 66.9 91.5 -74.1 -17.4 37.7 -24.5 10.4 79 91 A S > - 0 0 21 1,-0.2 4,-2.5 27,-0.1 5,-0.2 -0.718 56.0-164.1 -87.4 118.0 41.4 -25.4 10.8 80 92 A A H > S+ 0 0 42 -2,-0.6 4,-2.6 1,-0.2 5,-0.2 0.889 94.9 54.8 -62.6 -39.3 43.3 -23.4 13.4 81 93 A E H > S+ 0 0 82 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.900 108.7 47.1 -61.7 -42.6 46.5 -24.6 11.7 82 94 A Q H > S+ 0 0 4 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.939 112.2 49.8 -65.2 -46.6 45.4 -23.3 8.3 83 95 A I H X S+ 0 0 10 -4,-2.5 4,-3.0 1,-0.2 5,-0.2 0.907 108.7 53.1 -58.9 -42.2 44.3 -19.9 9.9 84 96 A A H X S+ 0 0 8 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.930 112.2 44.2 -59.6 -45.8 47.7 -19.6 11.6 85 97 A K H X S+ 0 0 58 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.912 112.4 53.1 -64.5 -42.8 49.6 -20.2 8.3 86 98 A Y H X S+ 0 0 0 -4,-2.8 4,-2.5 -36,-0.3 -2,-0.2 0.934 110.8 46.3 -57.6 -49.0 47.2 -17.8 6.5 87 99 A K H X S+ 0 0 19 -4,-3.0 4,-2.3 1,-0.2 -1,-0.2 0.873 109.8 54.7 -63.1 -37.1 47.9 -15.1 9.1 88 100 A E H < S+ 0 0 67 -4,-2.1 4,-0.5 -5,-0.2 -1,-0.2 0.897 109.4 47.7 -62.6 -41.6 51.6 -15.7 8.9 89 101 A L H >X S+ 0 0 45 -4,-2.3 3,-1.9 -38,-0.2 4,-0.7 0.958 110.8 49.6 -64.4 -52.1 51.5 -15.2 5.2 90 102 A V H >< S+ 0 0 31 -4,-2.5 3,-1.4 1,-0.3 -2,-0.2 0.887 104.9 59.6 -54.5 -41.2 49.4 -12.0 5.4 91 103 A A T 3< S+ 0 0 69 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.657 105.1 50.5 -62.5 -16.7 51.9 -10.7 8.0 92 104 A K T <4 S+ 0 0 163 -3,-1.9 2,-0.3 -4,-0.5 -1,-0.3 0.549 96.3 88.4 -96.8 -12.3 54.7 -11.0 5.4 93 105 A I << + 0 0 61 -3,-1.4 3,-0.0 -4,-0.7 -3,-0.0 -0.641 38.3 167.5 -91.9 146.5 52.8 -9.1 2.7 94 106 A S + 0 0 119 -2,-0.3 3,-0.3 1,-0.0 -1,-0.1 0.352 65.6 77.4-133.0 -2.3 52.9 -5.3 2.1 95 107 A N S S+ 0 0 104 1,-0.2 3,-0.1 2,-0.1 -2,-0.0 0.033 80.2 71.5-101.2 27.0 51.2 -5.0 -1.3 96 108 A L > + 0 0 20 -6,-0.1 3,-1.1 1,-0.1 -1,-0.2 -0.390 52.9 144.1-135.3 54.1 47.7 -5.5 -0.1 97 109 A E T 3 + 0 0 70 -3,-0.3 -1,-0.1 1,-0.2 -2,-0.1 0.762 66.5 56.8 -66.9 -30.1 47.1 -2.2 1.8 98 110 A N T 3 S+ 0 0 65 -3,-0.1 -27,-3.7 -28,-0.1 2,-0.4 0.193 91.0 99.6 -89.5 20.4 43.4 -1.7 0.8 99 111 A V E < -f 71 0B 19 -3,-1.1 2,-0.5 -29,-0.2 -27,-0.2 -0.907 51.6-165.8-115.6 133.6 42.5 -5.1 2.4 100 112 A K E -f 72 0B 91 -29,-3.4 -27,-3.0 -2,-0.4 2,-0.3 -0.957 17.5-153.7-110.6 128.2 40.9 -5.9 5.8 101 113 A F E +f 73 0B 37 -2,-0.5 2,-0.3 385,-0.2 385,-0.3 -0.786 14.8 179.8-105.9 147.8 41.1 -9.6 6.8 102 114 A A E -f 74 0B 24 -29,-1.7 -27,-3.0 -2,-0.3 2,-0.5 -0.983 10.5-158.3-144.1 129.5 38.8 -11.5 9.1 103 115 A W E -f 75 0B 38 -2,-0.3 2,-0.5 -29,-0.2 -27,-0.2 -0.947 4.6-170.4-114.4 129.9 39.2 -15.2 10.0 104 116 A H E -f 76 0B 19 -29,-2.8 -27,-2.3 -2,-0.5 2,-1.5 -0.974 17.5-144.5-119.2 115.4 36.2 -17.2 11.4 105 117 A K + 0 0 95 -2,-0.5 2,-0.3 -29,-0.2 -29,-0.1 -0.652 63.1 93.2 -83.1 91.5 37.2 -20.7 12.6 106 118 A E S S- 0 0 9 -2,-1.5 -27,-0.1 -27,-0.1 2,-0.1 -0.965 74.8 -95.7-167.8 166.8 34.1 -22.6 11.6 107 119 A T > - 0 0 51 -2,-0.3 4,-2.3 -30,-0.2 5,-0.2 -0.426 40.3-106.8 -87.6 168.0 32.8 -24.7 8.7 108 120 A S H > S+ 0 0 4 1,-0.2 4,-2.7 2,-0.2 5,-0.1 0.851 121.2 55.2 -64.5 -32.3 30.6 -23.3 5.9 109 121 A S H > S+ 0 0 66 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.883 108.1 46.6 -67.2 -40.3 27.6 -25.1 7.4 110 122 A E H > S+ 0 0 97 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.910 113.2 50.4 -67.4 -41.0 28.1 -23.4 10.8 111 123 A Y H X S+ 0 0 4 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.943 112.4 47.6 -59.8 -47.5 28.6 -20.1 9.0 112 124 A Q H X S+ 0 0 33 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.945 110.5 50.5 -58.5 -52.7 25.4 -20.8 7.1 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91.5-135.2 -10.9 36.7 -27.7 -0.3 133 145 A L G > S+ 0 0 0 26,-0.4 3,-1.6 1,-0.3 52,-0.1 0.718 76.2 75.1 -62.9 -16.7 33.3 -28.9 -1.4 134 146 A Y G 3 S+ 0 0 17 1,-0.3 51,-3.2 50,-0.1 -1,-0.3 0.776 96.1 50.2 -63.8 -23.9 34.4 -32.4 -0.8 135 147 A Y G < S+ 0 0 98 -3,-2.1 2,-0.4 49,-0.2 -1,-0.3 0.297 87.4 101.4 -99.8 9.7 34.1 -31.7 2.9 136 148 A V < - 0 0 7 -3,-1.6 3,-0.3 1,-0.1 49,-0.1 -0.790 59.2-152.8 -96.7 136.5 30.6 -30.3 2.8 137 149 A K S S+ 0 0 167 -2,-0.4 2,-0.7 1,-0.3 -1,-0.1 0.950 89.1 31.3 -71.4 -50.4 27.7 -32.5 3.9 138 150 A D > + 0 0 86 1,-0.2 4,-2.0 2,-0.1 -1,-0.3 -0.811 66.6 173.5-114.3 90.3 25.0 -30.9 1.8 139 151 A I H > S+ 0 0 2 -2,-0.7 4,-3.3 -3,-0.3 5,-0.3 0.931 77.4 50.8 -64.9 -49.0 26.4 -29.5 -1.4 140 152 A P H > S+ 0 0 52 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.919 113.9 45.9 -57.6 -41.1 23.2 -28.5 -3.1 141 153 A A H > S+ 0 0 36 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.888 113.8 49.9 -66.8 -37.5 22.0 -26.6 0.0 142 154 A T H X S+ 0 0 4 -4,-2.0 4,-2.5 2,-0.2 5,-0.3 0.932 112.2 46.7 -65.9 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-0.409 129.0 -2.1 -65.2 130.8 24.7 -7.2 -7.7 153 165 A N E 3 S+ 0 0 61 1,-0.2 -1,-0.3 -2,-0.2 -119,-0.2 0.619 101.2 146.3 64.6 12.5 27.1 -8.2 -10.4 154 166 A A E < - 0 0 1 -3,-1.8 126,-1.1 -30,-0.1 2,-0.3 -0.353 32.3-156.3 -78.8 160.7 28.7 -10.6 -7.9 155 167 A K E -gH 126 279B 39 -30,-1.4 -28,-1.9 124,-0.2 2,-0.4 -0.950 9.1-147.0-136.3 156.6 30.2 -13.9 -8.8 156 168 A M E -gH 127 278B 0 122,-2.1 122,-3.5 -2,-0.3 2,-0.5 -0.995 12.9-159.2-126.2 127.6 30.9 -17.2 -7.0 157 169 A L E -gH 128 277B 0 -30,-2.8 -28,-2.4 -2,-0.4 2,-0.4 -0.923 9.5-177.7-110.7 128.1 34.0 -19.3 -8.0 158 170 A I E -gH 129 276B 1 118,-2.7 118,-3.1 -2,-0.5 2,-0.4 -0.980 4.7-167.1-125.8 136.8 34.1 -23.0 -7.1 159 171 A I E +gH 130 275B 0 -30,-2.0 -28,-2.5 -2,-0.4 -27,-0.4 -0.992 20.3 144.6-128.1 131.6 37.1 -25.2 -7.9 160 172 A V E - H 0 274B 0 114,-1.4 114,-3.0 -2,-0.4 28,-0.1 -0.919 56.6 -72.4-150.5 167.7 37.1 -29.0 -7.7 161 173 A V E - H 0 273B 3 26,-0.4 28,-1.5 -2,-0.3 112,-0.3 -0.368 58.3-105.5 -66.7 149.4 38.9 -31.8 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24.4-174.1-111.8 151.4 32.9 -35.4 -6.3 188 200 A T >> - 0 0 2 -2,-0.3 4,-1.9 -28,-0.1 3,-0.6 -0.655 50.3 -82.6-125.4-176.2 34.1 -33.9 -9.5 189 201 A S H 3> S+ 0 0 6 -28,-1.5 4,-3.0 1,-0.2 5,-0.2 0.778 125.9 63.9 -62.4 -26.0 33.0 -31.1 -11.8 190 202 A D H 3> S+ 0 0 84 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.901 104.8 44.5 -64.5 -40.5 30.5 -33.5 -13.3 191 203 A D H <> S+ 0 0 56 -3,-0.6 4,-2.0 2,-0.2 -2,-0.2 0.924 115.9 48.0 -68.5 -44.0 28.7 -33.9 -10.0 192 204 A L H X S+ 0 0 1 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.900 109.8 49.8 -65.0 -42.9 28.8 -30.1 -9.4 193 205 A T H X S+ 0 0 27 -4,-3.0 4,-2.8 1,-0.2 -1,-0.2 0.884 110.8 51.4 -65.6 -35.1 27.5 -29.1 -12.8 194 206 A Q H X S+ 0 0 116 -4,-1.5 4,-2.3 -5,-0.2 -1,-0.2 0.915 111.5 46.6 -66.4 -42.2 24.6 -31.5 -12.5 195 207 A M H X S+ 0 0 35 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.908 114.0 48.2 -66.4 -40.2 23.7 -30.1 -9.1 196 208 A L H X>S+ 0 0 1 -4,-2.6 5,-2.2 2,-0.2 4,-0.9 0.912 110.4 51.6 -65.7 -42.2 24.0 -26.5 -10.4 197 209 A D H ><5S+ 0 0 93 -4,-2.8 3,-0.7 1,-0.2 -2,-0.2 0.925 112.0 46.7 -59.5 -44.6 21.9 -27.4 -13.5 198 210 A N H 3<5S+ 0 0 131 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.824 109.6 53.8 -67.9 -30.1 19.2 -28.9 -11.2 199 211 A L H 3<5S- 0 0 50 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.639 111.7-124.5 -77.8 -12.5 19.4 -25.8 -9.0 200 212 A G T <<5 + 0 0 66 -4,-0.9 2,-0.3 -3,-0.7 -3,-0.2 0.740 57.6 151.5 76.0 23.8 18.8 -23.7 -12.1 201 213 A L < - 0 0 25 -5,-2.2 2,-0.4 -6,-0.1 -1,-0.3 -0.690 44.2-127.3 -92.2 141.3 22.0 -21.6 -11.5 202 214 A K + 0 0 61 -2,-0.3 77,-2.4 77,-0.3 2,-0.3 -0.713 42.6 152.0 -87.6 134.3 23.8 -20.1 -14.4 203 215 A Y E -I 278 0B 61 -2,-0.4 2,-0.4 75,-0.2 75,-0.2 -0.972 38.0-137.7-155.5 167.2 27.5 -20.8 -14.7 204 216 A E E -I 277 0B 103 73,-2.0 73,-3.0 -2,-0.3 2,-0.4 -0.977 20.5-153.7-128.7 139.9 30.6 -21.3 -16.9 205 217 A C E -I 276 0B 53 -2,-0.4 2,-0.4 71,-0.2 71,-0.2 -0.975 9.4-173.5-122.4 130.5 33.1 -24.1 -16.4 206 218 A Y E -I 275 0B 73 69,-2.7 69,-3.6 -2,-0.4 2,-0.4 -0.987 10.0-153.2-124.0 129.4 36.8 -24.0 -17.4 207 219 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