==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 19-NOV-03 1V4S . COMPND 2 MOLECULE: GLUCOKINASE ISOFORM 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR K.KAMATA,M.MITSUYA,T.NISHIMURA,J.EIKI,Y.NAGATA . 448 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18584.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 336 75.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 30 6.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 44 9.8 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 . 1 0.2 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 . 2 0.4 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 . 33 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 154 34.4 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 0 1 2 1 1 2 1 0 1 0 1 0 0 2 0 1 0 0 0 0 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 1 0 0 0 3 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 PARALLEL BRIDGES PER LADDER . 1 0 1 1 2 0 1 0 1 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 1 0 1 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 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 14 A T > 0 0 121 0, 0.0 4,-1.8 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -21.8 25.3 -32.6 77.4 2 15 A L H > + 0 0 117 2,-0.2 4,-1.0 1,-0.2 5,-0.1 0.922 360.0 40.8 -64.4 -40.1 21.7 -32.3 76.2 3 16 A V H > S+ 0 0 18 1,-0.2 4,-2.2 2,-0.2 3,-0.3 0.898 113.3 52.5 -72.6 -41.2 22.0 -28.7 77.3 4 17 A E H > S+ 0 0 78 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.762 103.3 59.9 -67.4 -23.5 25.5 -28.2 76.0 5 18 A Q H < S+ 0 0 132 -4,-1.8 4,-0.4 2,-0.2 -1,-0.2 0.870 107.8 44.6 -71.2 -36.6 24.4 -29.5 72.6 6 19 A I H >< S+ 0 0 12 -4,-1.0 3,-1.2 -3,-0.3 -2,-0.2 0.931 115.4 46.9 -72.3 -43.1 21.9 -26.7 72.3 7 20 A L H >< S+ 0 0 3 -4,-2.2 3,-2.0 1,-0.3 4,-0.3 0.791 99.1 69.9 -67.4 -28.7 24.4 -24.1 73.5 8 21 A A G >< S+ 0 0 38 -4,-1.7 3,-1.4 1,-0.3 -1,-0.3 0.705 80.3 77.3 -62.9 -19.0 27.0 -25.5 71.2 9 22 A E G < S+ 0 0 89 -3,-1.2 -1,-0.3 -4,-0.4 -2,-0.2 0.663 87.5 60.0 -65.3 -15.6 25.0 -24.1 68.3 10 23 A F G < S+ 0 0 7 -3,-2.0 -1,-0.3 -4,-0.1 -2,-0.2 0.607 81.6 113.0 -86.9 -14.7 26.4 -20.6 69.3 11 24 A Q < - 0 0 124 -3,-1.4 2,-0.4 -4,-0.3 353,-0.0 -0.150 48.0-163.8 -58.9 152.6 30.0 -21.7 68.6 12 25 A L - 0 0 27 4,-0.0 -2,-0.0 3,-0.0 2,-0.0 -0.959 11.2-141.7-141.7 118.9 32.0 -20.2 65.8 13 26 A Q > - 0 0 107 -2,-0.4 4,-2.0 1,-0.1 3,-0.5 -0.322 31.9-105.0 -74.5 163.9 35.2 -21.9 64.5 14 27 A E H > S+ 0 0 79 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.875 123.3 55.8 -56.6 -36.7 38.2 -19.7 63.4 15 28 A E H > S+ 0 0 109 2,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.852 103.8 51.9 -66.0 -35.6 37.3 -20.5 59.9 16 29 A D H > S+ 0 0 42 -3,-0.5 4,-2.3 2,-0.2 -1,-0.2 0.919 111.2 49.5 -65.5 -41.2 33.7 -19.2 60.3 17 30 A L H X S+ 0 0 5 -4,-2.0 4,-2.8 1,-0.2 -2,-0.2 0.903 108.9 50.0 -64.8 -43.0 35.3 -16.0 61.7 18 31 A K H X S+ 0 0 72 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.865 111.5 51.1 -63.9 -33.5 37.7 -15.6 58.8 19 32 A K H X S+ 0 0 98 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.906 111.0 45.7 -70.1 -41.9 34.8 -16.1 56.4 20 33 A V H X S+ 0 0 3 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.919 113.5 52.8 -65.6 -40.3 32.7 -13.5 58.2 21 34 A M H X S+ 0 0 18 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.926 109.3 46.5 -61.0 -48.1 35.7 -11.2 58.1 22 35 A R H X S+ 0 0 122 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.904 111.8 51.8 -62.3 -40.5 36.3 -11.6 54.4 23 36 A R H X S+ 0 0 102 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.881 108.0 51.8 -64.2 -37.5 32.7 -11.0 53.7 24 37 A M H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.927 109.7 48.9 -64.4 -45.4 32.7 -7.8 55.7 25 38 A Q H X S+ 0 0 36 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.830 111.5 51.6 -61.8 -33.8 35.8 -6.5 53.8 26 39 A K H X S+ 0 0 117 -4,-1.8 4,-1.7 2,-0.2 -1,-0.2 0.877 111.1 45.4 -71.8 -39.8 34.0 -7.3 50.6 27 40 A E H X S+ 0 0 5 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.847 109.5 56.2 -72.9 -32.1 30.8 -5.4 51.6 28 41 A M H X S+ 0 0 1 -4,-2.4 4,-1.2 1,-0.2 -2,-0.2 0.943 107.7 48.4 -62.4 -45.6 32.9 -2.5 52.8 29 42 A D H X S+ 0 0 43 -4,-1.8 4,-1.4 1,-0.2 3,-0.3 0.877 111.2 51.3 -61.0 -39.0 34.5 -2.4 49.3 30 43 A R H < S+ 0 0 53 -4,-1.7 6,-0.3 1,-0.2 -1,-0.2 0.829 106.0 54.3 -67.8 -34.4 31.0 -2.5 47.8 31 44 A G H < S+ 0 0 2 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.768 108.4 50.0 -72.1 -23.9 29.7 0.3 49.9 32 45 A L H < S+ 0 0 5 -4,-1.2 197,-0.6 -3,-0.3 198,-0.3 0.819 92.0 87.4 -82.8 -33.6 32.6 2.6 48.8 33 46 A R S >X S- 0 0 101 -4,-1.4 4,-1.6 1,-0.1 3,-1.2 -0.436 75.4-135.1 -71.6 137.5 32.2 2.1 45.0 34 47 A L T 34 S+ 0 0 101 1,-0.3 4,-0.5 2,-0.2 3,-0.4 0.911 103.5 56.0 -57.7 -43.4 29.8 4.3 43.2 35 48 A E T 34 S+ 0 0 126 1,-0.2 -1,-0.3 2,-0.1 4,-0.1 0.627 122.1 24.1 -68.6 -13.6 28.3 1.4 41.2 36 49 A T T <> S+ 0 0 27 -3,-1.2 4,-0.8 -6,-0.3 3,-0.3 0.377 91.7 96.6-131.0 4.7 27.4 -0.6 44.4 37 50 A H T < S+ 0 0 35 -4,-1.6 3,-0.2 -3,-0.4 -3,-0.1 0.812 83.2 56.6 -65.5 -28.8 27.0 2.0 47.1 38 51 A E T 4 S+ 0 0 165 -4,-0.5 -1,-0.2 1,-0.2 -2,-0.1 0.847 116.3 31.0 -73.0 -37.0 23.2 2.2 46.6 39 52 A E T 4 S+ 0 0 110 -3,-0.3 2,-0.2 -9,-0.1 -1,-0.2 0.336 91.5 122.5-102.8 5.3 22.4 -1.5 47.2 40 53 A A < - 0 0 9 -4,-0.8 3,-0.1 -10,-0.2 -13,-0.0 -0.477 54.9-150.6 -72.5 134.4 25.3 -2.2 49.6 41 54 A S S S+ 0 0 8 1,-0.2 2,-1.1 -2,-0.2 205,-0.2 0.876 95.1 57.2 -70.2 -36.2 24.3 -3.6 53.0 42 55 A V S S- 0 0 0 -15,-0.2 -1,-0.2 1,-0.2 201,-0.1 -0.792 79.0-164.5 -97.5 95.7 27.4 -1.9 54.5 43 56 A K - 0 0 31 -2,-1.1 200,-0.2 200,-0.4 -1,-0.2 0.723 8.1-154.2 -54.1 -31.3 26.8 1.7 53.5 44 57 A M - 0 0 2 198,-1.5 198,-0.3 1,-0.2 199,-0.1 0.963 21.6-155.8 50.9 56.3 30.3 3.1 54.1 45 58 A L E -A 241 0A 1 196,-2.4 196,-2.9 195,-0.1 -1,-0.2 -0.513 11.8-125.6 -73.2 117.6 28.8 6.6 54.7 46 59 A P E -A 240 0A 13 0, 0.0 97,-0.7 0, 0.0 194,-0.2 -0.387 21.3-167.3 -59.8 133.2 31.3 9.5 54.1 47 60 A T E - 0 0 7 192,-1.8 142,-0.1 2,-0.2 3,-0.1 0.552 26.0-132.7-102.1 -11.5 31.4 11.7 57.2 48 61 A Y E + 0 0 40 191,-0.3 2,-1.0 1,-0.3 98,-0.2 0.408 65.2 132.0 71.3 -2.4 33.2 14.8 55.9 49 62 A V E - 0 0 14 190,-0.4 190,-2.7 96,-0.1 -1,-0.3 -0.738 48.5-158.7 -78.3 110.1 35.4 14.7 58.9 50 63 A R E -A 238 0A 113 -2,-1.0 188,-0.3 188,-0.2 186,-0.1 -0.585 27.3 -69.5 -98.3 160.3 38.7 15.1 57.0 51 64 A S S S- 0 0 42 186,-3.6 -1,-0.1 1,-0.2 186,-0.1 -0.179 85.9 -64.2 -47.8 120.1 42.3 14.2 57.8 52 65 A T - 0 0 76 1,-0.2 2,-1.8 -3,-0.1 -1,-0.2 0.382 57.1-169.5 -10.1 81.7 43.5 16.6 60.4 53 66 A P - 0 0 73 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 -0.552 29.8-129.6 -86.1 71.8 43.2 19.9 58.5 54 67 A E + 0 0 140 -2,-1.8 30,-0.0 -3,-0.0 -3,-0.0 0.314 69.2 95.5 -23.4 140.9 45.1 21.9 61.2 55 68 A G - 0 0 18 1,-0.0 2,-0.5 2,-0.0 390,-0.2 0.455 47.1-174.0 128.3 81.0 43.5 25.2 62.4 56 69 A S - 0 0 20 388,-0.1 2,-0.5 387,-0.1 386,-0.2 -0.882 18.9-142.0-109.5 132.4 41.4 24.9 65.5 57 70 A E - 0 0 60 384,-3.2 387,-0.1 -2,-0.5 388,-0.1 -0.769 24.8-144.8 -88.0 123.9 39.3 27.6 67.1 58 71 A V + 0 0 81 -2,-0.5 2,-0.3 19,-0.0 21,-0.2 -0.283 46.5 80.0 -83.3 173.5 39.5 27.5 70.9 59 72 A G E S-F 78 0B 28 19,-2.9 19,-3.3 -2,-0.1 2,-0.5 -0.809 79.4 -38.0 129.3-170.1 36.8 28.2 73.3 60 73 A D E -F 77 0B 49 -2,-0.3 2,-0.3 17,-0.2 17,-0.2 -0.847 52.8-173.7-100.7 123.3 33.6 26.7 74.9 61 74 A F E -F 76 0B 3 15,-3.0 15,-2.6 -2,-0.5 2,-0.4 -0.741 20.6-129.9-113.1 162.4 31.4 24.5 72.8 62 75 A L E -Fg 75 133B 5 70,-2.6 72,-3.0 -2,-0.3 2,-0.5 -0.926 21.9-159.3-110.1 134.5 28.0 22.9 73.5 63 76 A S E -Fg 74 134B 0 11,-3.4 11,-2.2 -2,-0.4 2,-0.3 -0.962 4.8-165.7-121.3 124.6 27.6 19.2 72.8 64 77 A L E -Fg 73 135B 0 70,-2.4 72,-3.1 -2,-0.5 2,-0.4 -0.797 4.5-166.6-102.2 148.5 24.4 17.4 72.2 65 78 A D E +Fg 72 136B 15 7,-2.2 7,-2.2 -2,-0.3 2,-0.4 -0.888 13.2 166.2-141.8 108.8 24.2 13.6 72.2 66 79 A L E + g 0 137B 3 70,-2.5 72,-2.2 -2,-0.4 3,-0.1 -0.984 46.2 77.5-122.5 129.4 21.2 11.6 71.0 67 80 A G S S+ 0 0 1 1,-1.0 91,-0.1 -2,-0.4 -1,-0.1 -0.059 75.8 72.3 167.9 -48.6 21.4 7.9 70.4 68 81 A G S S- 0 0 31 2,-0.3 -1,-1.0 1,-0.1 4,-0.0 -0.279 99.7 -97.3 -79.6 176.0 21.2 6.2 73.7 69 82 A T S S+ 0 0 100 1,-0.2 28,-0.9 -3,-0.1 2,-0.3 0.111 113.3 70.0 -82.1 25.0 17.8 6.1 75.6 70 83 A N E S- H 0 96B 48 26,-0.2 -2,-0.3 -5,-0.1 26,-0.2 -0.767 78.0-146.8-145.8 94.3 19.2 9.0 77.5 71 84 A F E - H 0 95B 4 24,-1.1 24,-3.0 -2,-0.3 2,-0.3 -0.426 22.2-162.3 -62.6 126.6 19.6 12.4 75.7 72 85 A R E -FH 65 94B 35 -7,-2.2 -7,-2.2 22,-0.2 2,-0.4 -0.882 15.0-171.0-118.6 147.8 22.6 14.3 77.0 73 86 A V E +FH 64 93B 0 20,-2.4 20,-1.2 -2,-0.3 2,-0.3 -0.999 18.8 161.9-135.4 128.6 23.6 17.9 76.8 74 87 A M E -FH 63 92B 1 -11,-2.2 -11,-3.4 -2,-0.4 2,-0.5 -0.974 34.8-127.2-148.9 162.3 26.9 19.2 78.0 75 88 A L E -FH 62 91B 5 16,-3.1 15,-3.0 -2,-0.3 16,-1.3 -0.936 27.1-172.2-111.4 128.2 29.4 22.1 77.8 76 89 A V E -FH 61 89B 1 -15,-2.6 -15,-3.0 -2,-0.5 2,-0.6 -0.979 16.5-139.7-127.6 133.5 33.0 21.3 76.8 77 90 A K E -FH 60 88B 74 11,-2.5 11,-0.7 -2,-0.4 2,-0.5 -0.793 15.5-163.0 -94.3 120.6 36.1 23.6 76.8 78 91 A V E +FH 59 87B 2 -19,-3.3 -19,-2.9 -2,-0.6 9,-0.2 -0.884 19.3 160.5-104.9 126.0 38.5 23.3 73.9 79 92 A G - 0 0 6 7,-1.7 2,-0.6 -2,-0.5 7,-0.4 -0.457 42.4 -84.6-125.4-160.9 41.9 24.7 74.2 80 93 A E + 0 0 157 5,-0.2 5,-0.3 -2,-0.2 2,-0.1 -0.914 44.3 171.5-121.2 108.2 45.4 24.4 72.7 81 94 A G - 0 0 28 3,-1.9 5,-0.0 -2,-0.6 4,-0.0 -0.154 43.3-104.8 -95.6-166.9 47.7 21.6 73.8 82 95 A E S S+ 0 0 201 1,-0.1 -1,-0.1 -2,-0.1 3,-0.1 0.936 119.2 45.3 -85.2 -57.9 51.0 20.4 72.4 83 96 A E S S- 0 0 103 1,-0.1 2,-0.3 119,-0.1 -1,-0.1 0.879 137.1 -73.7 -49.6 -41.6 49.9 17.2 70.8 84 97 A G S S- 0 0 9 118,-0.1 -3,-1.9 -30,-0.0 2,-0.2 -0.845 88.9 -12.5 174.3-139.3 47.0 19.2 69.4 85 98 A Q - 0 0 10 -2,-0.3 -5,-0.2 -5,-0.3 2,-0.2 -0.574 57.3-146.2 -87.1 149.5 43.9 20.6 71.2 86 99 A W - 0 0 108 -7,-0.4 -7,-1.7 -2,-0.2 2,-0.3 -0.652 17.3-168.7-103.9 167.5 42.9 19.5 74.6 87 100 A S E +H 78 0B 15 -2,-0.2 2,-0.3 -9,-0.2 -9,-0.2 -0.985 9.6 179.7-154.3 159.0 39.3 19.2 75.7 88 101 A V E -H 77 0B 65 -11,-0.7 -11,-2.5 -2,-0.3 2,-0.4 -0.905 30.2-119.5-167.8 136.7 37.2 18.7 78.8 89 102 A K E +H 76 0B 64 -2,-0.3 -13,-0.2 -13,-0.2 3,-0.1 -0.642 32.7 169.0 -77.2 127.9 33.6 18.4 80.0 90 103 A T E + 0 0 64 -15,-3.0 2,-0.3 -2,-0.4 -1,-0.2 0.770 64.8 16.9-108.0 -43.1 32.7 21.2 82.4 91 104 A K E +H 75 0B 81 -16,-1.3 -16,-3.1 2,-0.0 -1,-0.4 -0.989 68.1 168.8-135.4 143.2 29.0 21.0 82.7 92 105 A H E -H 74 0B 102 -2,-0.3 2,-0.3 -18,-0.3 -18,-0.2 -0.954 11.3-177.4-149.3 166.9 26.5 18.3 81.9 93 106 A Q E -H 73 0B 70 -20,-1.2 -20,-2.4 -2,-0.3 2,-0.4 -0.937 14.5-144.4-166.6 142.5 22.9 17.1 82.2 94 107 A M E -H 72 0B 100 -2,-0.3 2,-0.5 -22,-0.2 -22,-0.2 -0.930 8.2-167.1-118.0 139.1 20.8 14.0 81.2 95 108 A Y E -H 71 0B 20 -24,-3.0 -24,-1.1 -2,-0.4 21,-0.1 -0.959 22.1-129.4-127.7 113.9 17.2 14.0 80.2 96 109 A S E -H 70 0B 89 -2,-0.5 -26,-0.2 -26,-0.2 -27,-0.0 -0.167 31.4-106.7 -55.8 152.7 15.3 10.7 79.9 97 110 A I - 0 0 36 -28,-0.9 -1,-0.1 1,-0.0 5,-0.1 -0.770 36.1-137.6 -91.6 108.4 13.4 10.1 76.7 98 111 A P - 0 0 35 0, 0.0 4,-0.3 0, 0.0 3,-0.1 -0.046 12.4-120.3 -58.7 160.2 9.6 10.5 77.1 99 112 A E S >> S+ 0 0 126 1,-0.2 3,-3.3 2,-0.2 4,-1.7 0.992 111.9 46.5 -66.3 -65.6 7.0 8.2 75.6 100 113 A D T 34 S+ 0 0 116 1,-0.3 4,-0.4 2,-0.2 5,-0.2 0.582 105.2 67.2 -56.1 -8.2 5.1 10.7 73.5 101 114 A A T 34 S+ 0 0 4 2,-0.1 -1,-0.3 3,-0.1 -2,-0.2 0.641 107.4 37.0 -86.5 -16.8 8.5 11.9 72.4 102 115 A M T <4 S+ 0 0 43 -3,-3.3 -2,-0.2 -4,-0.3 59,-0.2 0.850 121.4 39.6 -99.5 -50.6 9.1 8.6 70.6 103 116 A T S < S+ 0 0 108 -4,-1.7 58,-0.2 57,-0.1 -3,-0.2 0.679 108.8 77.9 -74.7 -17.2 5.7 7.6 69.1 104 117 A G S S- 0 0 10 -4,-0.4 57,-1.2 -5,-0.4 2,-0.3 0.555 95.4 -67.6 -65.7-139.5 5.1 11.2 68.2 105 118 A T B > -j 161 0C 44 -5,-0.2 4,-2.8 55,-0.2 57,-0.2 -0.817 35.5-109.5-119.8 160.4 6.6 13.0 65.3 106 119 A A H > S+ 0 0 1 55,-3.6 4,-1.8 -2,-0.3 5,-0.2 0.819 121.3 58.9 -54.4 -30.7 10.1 14.1 64.3 107 120 A E H > S+ 0 0 79 54,-0.3 4,-1.2 2,-0.2 -1,-0.2 0.975 108.3 41.3 -62.9 -56.3 8.8 17.6 65.0 108 121 A M H >> S+ 0 0 81 1,-0.2 4,-2.8 2,-0.2 3,-0.5 0.919 108.6 62.3 -57.4 -47.5 7.9 16.8 68.6 109 122 A L H 3X S+ 0 0 5 -4,-2.8 4,-1.5 1,-0.3 -1,-0.2 0.920 111.0 36.3 -44.8 -58.7 11.1 14.8 69.2 110 123 A F H 3X S+ 0 0 2 -4,-1.8 4,-2.0 2,-0.2 -1,-0.3 0.678 110.7 64.9 -72.0 -16.5 13.4 17.8 68.5 111 124 A D H <>S+ 0 0 7 -4,-1.4 5,-1.9 -3,-0.5 6,-0.9 0.904 112.4 45.9 -67.3 -43.4 21.0 26.8 79.8 122 135 A D H ><5S+ 0 0 84 -4,-2.7 3,-2.7 1,-0.2 -2,-0.2 0.987 109.4 53.3 -62.7 -58.6 18.7 28.2 82.6 123 136 A K T 3<5S+ 0 0 129 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.521 115.2 43.4 -56.1 -5.6 20.0 25.9 85.3 124 137 A H T < 5S- 0 0 21 -3,-0.7 -1,-0.3 -4,-0.3 -2,-0.2 0.080 108.8-119.9-127.9 23.2 23.6 27.0 84.4 125 138 A Q T < 5S+ 0 0 148 -3,-2.7 -3,-0.2 1,-0.1 -2,-0.1 0.898 86.8 103.9 34.5 69.8 22.9 30.7 84.0 126 139 A M > < + 0 0 32 -5,-1.9 3,-0.9 3,-0.1 -4,-0.2 0.313 28.6 111.6-154.4 0.9 24.1 30.7 80.4 127 140 A K T 3 S+ 0 0 36 -6,-0.9 56,-0.3 1,-0.3 -5,-0.1 0.719 71.2 73.6 -54.6 -20.3 20.9 30.9 78.4 128 141 A H T 3 S+ 0 0 139 -7,-0.2 2,-0.3 54,-0.1 -1,-0.3 -0.031 86.7 83.9 -85.9 31.5 22.1 34.4 77.4 129 142 A K < - 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0 0 9 -2,-0.3 4,-2.3 -55,-0.2 -53,-0.2 -0.567 36.3-114.0 -88.4 155.1 28.2 9.7 64.6 192 205 A D H > S+ 0 0 25 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.815 116.4 56.5 -63.8 -28.6 29.2 8.4 68.0 193 206 A T H > S+ 0 0 0 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.979 109.8 46.4 -62.6 -52.7 31.9 6.2 66.5 194 207 A V H > S+ 0 0 1 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.892 110.5 51.9 -55.3 -45.0 33.5 9.3 64.9 195 208 A A H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.925 112.0 46.9 -60.1 -44.0 33.3 11.3 68.2 196 209 A T H X S+ 0 0 1 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.938 112.6 49.6 -64.2 -45.4 35.0 8.5 70.1 197 210 A M H X S+ 0 0 6 -4,-2.9 4,-1.8 1,-0.2 3,-0.3 0.953 111.7 48.1 -58.7 -50.7 37.7 8.1 67.4 198 211 A I H X S+ 0 0 22 -4,-2.8 4,-1.2 1,-0.2 3,-0.4 0.937 110.2 51.2 -55.9 -50.4 38.4 11.9 67.4 199 212 A S H < S+ 0 0 1 -4,-2.4 4,-0.3 232,-0.3 -1,-0.2 0.825 112.1 46.6 -58.6 -34.6 38.6 12.1 71.2 200 213 A C H >X S+ 0 0 4 -4,-1.8 4,-2.9 -3,-0.3 3,-1.0 0.771 99.2 71.4 -79.1 -26.7 41.1 9.3 71.4 201 214 A Y H 3< S+ 0 0 52 -4,-1.8 6,-0.2 -3,-0.4 -2,-0.2 0.945 94.1 52.1 -51.9 -55.2 43.2 10.7 68.5 202 215 A Y T 3< S+ 0 0 22 -4,-1.2 -1,-0.3 1,-0.3 3,-0.2 0.703 113.4 46.7 -58.4 -17.5 44.5 13.5 70.6 203 216 A E T <4 S+ 0 0 133 -3,-1.0 2,-0.3 1,-0.3 -1,-0.3 0.848 134.2 11.6 -88.6 -41.5 45.5 10.9 73.2 204 217 A D >< - 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D 0 239A 20 -14,-1.8 2,-0.3 -2,-0.3 17,-0.2 -0.675 45.4-170.1 -82.3 119.9 40.1 6.7 58.2 223 236 A E E - D 0 238A 5 15,-2.9 15,-2.1 -2,-0.6 2,-0.4 -0.767 28.7-104.8-110.6 155.2 39.9 6.0 54.5 224 237 A E E >> - D 0 237A 34 -2,-0.3 3,-2.7 13,-0.2 4,-0.7 -0.639 29.1-129.6 -77.7 129.7 41.9 7.3 51.6 225 238 A M G >4 S+ 0 0 2 11,-1.9 3,-1.0 -2,-0.4 6,-0.2 0.802 105.9 65.2 -50.7 -33.8 40.0 10.0 49.6 226 239 A Q G 34 S+ 0 0 95 8,-0.7 -1,-0.3 10,-0.3 8,-0.1 0.711 103.0 48.5 -63.9 -18.7 40.7 8.2 46.4 227 240 A N G <4 S+ 0 0 50 -3,-2.7 2,-1.6 1,-0.2 -1,-0.3 0.574 89.9 83.8 -96.4 -11.0 38.6 5.3 47.6 228 241 A V X< + 0 0 1 -3,-1.0 3,-1.8 -4,-0.7 -1,-0.2 -0.594 54.3 170.9 -90.5 76.1 35.7 7.4 48.7 229 242 A E T 3 + 0 0 81 -2,-1.6 -1,-0.2 -197,-0.6 -196,-0.1 0.629 68.4 69.8 -62.2 -13.7 34.1 7.6 45.3 230 243 A L T 3 S+ 0 0 53 -198,-0.3 2,-0.4 -3,-0.1 -1,-0.3 0.322 98.2 55.8 -87.2 7.8 31.0 9.2 46.8 231 244 A V S < S- 0 0 11 -3,-1.8 -1,-0.1 -6,-0.2 -3,-0.1 -0.967 92.4-118.7-141.9 121.7 33.0 12.4 47.5 232 245 A E S S+ 0 0 195 -2,-0.4 2,-0.1 2,-0.0 -2,-0.1 -0.332 74.9 64.7 -59.3 136.4 34.8 14.2 44.7 233 246 A G - 0 0 37 1,-0.1 -5,-0.2 -7,-0.1 -2,-0.2 -0.150 52.6-151.1 122.3 143.0 38.6 14.3 45.3 234 247 A D + 0 0 103 -2,-0.1 -8,-0.7 -8,-0.1 2,-0.3 0.355 69.0 94.8-122.9 -1.0 41.5 11.9 45.6 235 248 A E S S- 0 0 168 -10,-0.2 2,-0.1 -11,-0.1 0, 0.0 -0.736 79.4 -0.9-100.1 144.9 43.6 13.9 48.0 236 249 A G S S- 0 0 40 -2,-0.3 -11,-1.9 -186,-0.1 -10,-0.3 -0.419 83.9 -79.7 84.7-160.4 43.8 13.6 51.7 237 250 A R E - D 0 224A 55 -13,-0.2 -186,-3.6 -12,-0.1 2,-0.3 -0.984 31.6-162.5-145.2 151.4 41.7 11.2 53.9 238 251 A M E -AD 50 223A 0 -15,-2.1 -15,-2.9 -2,-0.3 2,-0.4 -0.981 26.2-113.2-135.8 147.8 38.2 11.2 55.3 239 252 A C E - D 0 222A 0 -190,-2.7 -192,-1.8 -2,-0.3 2,-0.4 -0.653 31.8-152.9 -81.9 133.0 36.6 9.2 58.1 240 253 A V E -AD 46 221A 0 -19,-2.9 -19,-1.6 -2,-0.4 2,-0.9 -0.887 10.4-142.3-110.3 139.9 34.0 6.8 56.9 241 254 A N E -AD 45 220A 7 -196,-2.9 -196,-2.4 -2,-0.4 -21,-0.2 -0.865 15.5-170.1 -99.6 101.4 31.0 5.6 59.0 242 255 A T - 0 0 0 -23,-1.5 -198,-1.5 -2,-0.9 -1,-0.2 0.853 10.8-156.9 -61.2 -39.7 30.7 1.9 58.0 243 256 A E > + 0 0 7 -24,-0.7 3,-1.6 -200,-0.2 -200,-0.4 0.948 23.5 171.4 56.8 47.8 27.3 1.3 59.7 244 257 A W G > + 0 0 0 -25,-0.3 3,-2.2 1,-0.3 32,-0.2 0.558 55.5 90.8 -67.9 -3.8 28.3 -2.3 59.8 245 258 A G G 3 S+ 0 0 0 1,-0.3 32,-1.9 -28,-0.2 31,-0.7 0.841 84.7 52.8 -60.1 -30.2 25.3 -3.0 62.0 246 259 A A G X S+ 0 0 4 -3,-1.6 3,-2.2 28,-0.2 -1,-0.3 0.363 78.9 126.2 -87.3 6.3 23.4 -3.6 58.8 247 260 A F T < S+ 0 0 0 -3,-2.2 29,-1.6 1,-0.3 30,-0.2 -0.415 72.8 31.8 -60.2 140.2 26.0 -6.2 57.6 248 261 A G T > S+ 0 0 1 27,-0.2 3,-2.2 28,-0.1 5,-0.4 0.224 82.3 115.5 94.2 -15.6 24.1 -9.4 56.8 249 262 A D T < S+ 0 0 45 -3,-2.2 -2,-0.1 1,-0.3 -3,-0.0 0.591 79.1 48.7 -65.0 -9.0 21.0 -7.5 55.7 250 263 A S T 3 S- 0 0 69 -4,-0.2 -1,-0.3 0, 0.0 -3,-0.1 0.065 135.4 -85.7-114.8 20.6 21.5 -8.8 52.2 251 264 A G S X S+ 0 0 26 -3,-2.2 3,-1.1 3,-0.0 4,-0.3 0.539 87.5 134.1 89.9 8.0 21.9 -12.4 53.4 252 265 A E T 3 S+ 0 0 13 1,-0.2 3,-0.2 2,-0.1 -3,-0.1 0.761 82.2 35.2 -60.4 -26.6 25.7 -12.2 54.2 253 266 A L T >> S+ 0 0 0 -5,-0.4 3,-2.5 1,-0.1 4,-1.3 0.309 80.4 116.6-110.9 7.2 25.1 -14.0 57.5 254 267 A D T <4 S+ 0 0 87 -3,-1.1 3,-0.2 1,-0.3 -1,-0.1 0.791 72.9 56.1 -46.8 -38.2 22.3 -16.3 56.6 255 268 A E T 34 S+ 0 0 118 -4,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.621 111.7 43.8 -74.1 -10.5 24.3 -19.5 57.3 256 269 A F T <4 S+ 0 0 23 -3,-2.5 -1,-0.2 2,-0.1 -2,-0.2 0.646 83.9 111.4-106.3 -19.5 25.1 -18.4 60.9 257 270 A L < - 0 0 21 -4,-1.3 2,-0.2 -3,-0.2 18,-0.0 -0.331 52.3-155.6 -62.2 133.3 21.7 -17.1 62.0 258 271 A L >> - 0 0 15 -2,-0.1 4,-2.1 1,-0.1 3,-0.6 -0.543 33.1 -98.4-102.7 171.1 20.0 -19.2 64.7 259 272 A E H 3> S+ 0 0 80 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.874 124.6 55.8 -56.9 -39.2 16.3 -19.6 65.6 260 273 A Y H 3> S+ 0 0 1 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.840 106.2 51.4 -64.2 -32.7 16.8 -17.1 68.4 261 274 A D H <> S+ 0 0 9 -3,-0.6 4,-2.5 2,-0.2 -2,-0.2 0.922 109.1 48.0 -71.7 -43.8 18.1 -14.6 65.9 262 275 A R H X S+ 0 0 123 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.895 113.4 50.5 -63.7 -36.6 15.2 -14.9 63.6 263 276 A L H X S+ 0 0 76 -4,-2.3 4,-1.3 -5,-0.2 -2,-0.2 0.925 110.7 46.8 -66.1 -46.1 12.9 -14.5 66.6 264 277 A V H < S+ 0 0 8 -4,-2.4 4,-0.5 1,-0.2 3,-0.2 0.912 114.9 47.8 -62.2 -42.3 14.6 -11.4 67.9 265 278 A D H >< S+ 0 0 28 -4,-2.5 3,-1.0 1,-0.2 5,-0.3 0.911 107.8 54.5 -65.5 -43.9 14.6 -9.9 64.4 266 279 A E H 3< S+ 0 0 136 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.763 114.2 40.8 -62.9 -27.4 10.9 -10.7 63.7 267 280 A S T 3< S+ 0 0 59 -4,-1.3 -1,-0.2 -3,-0.2 -2,-0.2 0.415 95.4 105.6-101.1 -0.5 9.8 -8.9 66.9 268 281 A S S < S- 0 0 19 -3,-1.0 -3,-0.0 -4,-0.5 -4,-0.0 -0.308 84.1-113.4 -76.7 163.6 12.2 -6.0 66.6 269 282 A A S S+ 0 0 72 1,-0.3 -1,-0.1 -2,-0.0 -4,-0.1 0.370 114.2 43.9 -77.5 6.2 11.0 -2.5 65.5 270 283 A N S > S- 0 0 11 -5,-0.3 3,-2.4 3,-0.1 -1,-0.3 -0.277 80.9-161.4-151.1 60.2 13.1 -3.0 62.3 271 284 A P T 3 S+ 0 0 82 0, 0.0 -5,-0.1 0, 0.0 3,-0.1 -0.128 79.0 11.2 -45.6 120.8 12.5 -6.5 60.9 272 285 A G T 3 S+ 0 0 35 1,-0.3 2,-0.3 2,-0.0 3,-0.3 0.340 108.3 103.1 89.9 -7.0 15.3 -7.5 58.4 273 286 A Q S < S+ 0 0 76 -3,-2.4 -1,-0.3 1,-0.2 -3,-0.1 -0.839 76.1 12.7-114.1 150.1 17.5 -4.6 59.3 274 287 A Q > + 0 0 3 -2,-0.3 4,-1.8 -31,-0.1 -28,-0.2 0.834 69.8 158.5 61.2 37.8 20.7 -4.4 61.5 275 288 A L H > S+ 0 0 21 -3,-0.3 4,-0.5 2,-0.2 -29,-0.2 0.884 70.9 49.7 -59.4 -43.9 21.1 -8.2 61.6 276 289 A Y H >> S+ 0 0 0 -29,-1.6 3,-1.4 -31,-0.7 4,-0.6 0.932 111.6 50.5 -60.9 -43.8 24.8 -8.2 62.4 277 290 A E H >> S+ 0 0 6 -32,-1.9 4,-2.5 1,-0.3 3,-0.9 0.830 100.6 62.9 -63.3 -32.4 24.1 -5.7 65.2 278 291 A K H 3< S+ 0 0 8 -4,-1.8 -1,-0.3 -33,-0.3 -2,-0.2 0.660 100.2 55.3 -68.5 -12.6 21.3 -7.9 66.5 279 292 A L H << S+ 0 0 4 -3,-1.4 -1,-0.3 -4,-0.5 -2,-0.2 0.696 125.2 17.8 -90.1 -19.6 24.0 -10.5 67.2 280 293 A I H << S+ 0 0 1 -3,-0.9 -2,-0.2 -4,-0.6 -3,-0.1 0.805 92.2 103.2-117.7 -51.0 26.1 -8.1 69.3 281 294 A G >X - 0 0 0 -4,-2.5 3,-2.0 1,-0.1 4,-1.8 0.015 67.3-127.3 -48.3 141.3 24.3 -5.1 70.6 282 295 A G T 34 S+ 0 0 13 -68,-3.9 4,-0.4 1,-0.3 37,-0.4 0.591 106.0 72.2 -63.8 -10.9 23.1 -4.7 74.2 283 296 A K T 34 S+ 0 0 103 -68,-1.7 -1,-0.3 -69,-0.3 4,-0.1 0.777 115.9 21.3 -74.0 -23.9 19.7 -3.9 72.8 284 297 A Y T <> S+ 0 0 13 -3,-2.0 4,-2.3 -69,-0.3 -2,-0.2 0.598 99.8 87.0-118.4 -17.8 19.3 -7.5 71.9 285 298 A M H X S+ 0 0 3 -4,-1.8 4,-2.0 1,-0.2 5,-0.2 0.916 95.0 43.1 -53.1 -52.4 21.8 -9.6 74.0 286 299 A G H > S+ 0 0 0 -4,-0.4 4,-2.5 1,-0.2 -1,-0.2 0.914 112.8 54.1 -61.6 -41.8 19.5 -10.1 77.0 287 300 A E H > S+ 0 0 26 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.874 106.3 52.6 -60.2 -37.4 16.6 -10.9 74.7 288 301 A L H X S+ 0 0 2 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.923 109.8 48.0 -64.5 -44.2 18.7 -13.5 73.0 289 302 A V H X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.892 108.5 55.3 -62.9 -39.5 19.5 -15.2 76.3 290 303 A R H X S+ 0 0 13 -4,-2.5 4,-2.4 27,-0.3 -1,-0.2 0.911 109.0 47.0 -59.6 -43.9 15.8 -15.0 77.3 291 304 A L H X S+ 0 0 18 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.867 111.5 51.0 -66.2 -37.6 14.9 -16.9 74.1 292 305 A V H X S+ 0 0 0 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.879 111.2 48.7 -67.2 -36.9 17.6 -19.4 74.7 293 306 A L H X S+ 0 0 0 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.901 108.5 54.4 -69.1 -39.8 16.3 -19.9 78.3 294 307 A L H X S+ 0 0 24 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.878 107.6 48.8 -63.0 -38.7 12.8 -20.3 77.0 295 308 A R H X S+ 0 0 62 -4,-1.9 4,-1.5 1,-0.2 -1,-0.2 0.916 108.3 55.2 -67.3 -39.8 13.8 -23.1 74.6 296 309 A L H <>S+ 0 0 0 -4,-1.7 5,-3.0 1,-0.2 6,-0.8 0.835 109.2 47.5 -60.1 -34.1 15.6 -24.8 77.5 297 310 A V H ><5S+ 0 0 2 -4,-1.7 3,-1.5 4,-0.2 -1,-0.2 0.900 110.2 50.9 -74.9 -40.1 12.4 -24.8 79.5 298 311 A D H 3<5S+ 0 0 107 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.725 107.0 54.5 -69.3 -20.4 10.3 -26.1 76.7 299 312 A E T 3<5S- 0 0 100 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.432 118.8-119.7 -87.7 -2.2 12.8 -28.9 76.3 300 313 A N T < 5S+ 0 0 116 -3,-1.5 -3,-0.2 -5,-0.2 -2,-0.1 0.758 84.8 114.3 69.2 28.5 12.2 -29.5 80.0 301 314 A L < + 0 0 45 -5,-3.0 2,-0.4 -6,-0.2 -4,-0.2 0.486 66.3 50.5-105.5 -6.8 15.8 -28.9 80.8 302 315 A L S > S- 0 0 1 -6,-0.8 3,-2.0 1,-0.1 4,-0.3 -0.997 115.8 -4.1-139.1 137.5 15.5 -25.7 82.9 303 316 A F G > S- 0 0 9 -2,-0.4 3,-1.8 1,-0.3 -1,-0.1 0.818 120.5 -66.2 55.9 34.0 13.3 -24.6 85.8 304 317 A H G 3 S- 0 0 150 1,-0.3 -1,-0.3 -4,-0.1 3,-0.1 0.671 89.5 -68.7 63.9 14.6 11.4 -28.0 85.7 305 318 A G G < S+ 0 0 29 -3,-2.0 2,-0.6 1,-0.2 -1,-0.3 0.717 107.9 124.2 76.4 21.7 10.1 -26.9 82.4 306 319 A E < - 0 0 149 -3,-1.8 2,-0.3 -4,-0.3 -1,-0.2 -0.922 46.7-157.7-120.9 106.2 8.0 -24.2 84.0 307 320 A A - 0 0 21 -2,-0.6 -4,-0.0 -3,-0.1 5,-0.0 -0.622 17.6-120.1 -86.3 140.3 8.5 -20.7 82.8 308 321 A S > - 0 0 19 -2,-0.3 4,-1.0 1,-0.1 35,-0.1 -0.199 22.7-111.8 -71.7 165.6 7.7 -17.6 84.9 309 322 A E T >4 S+ 0 0 160 1,-0.2 3,-0.5 2,-0.2 -1,-0.1 0.939 120.0 43.5 -62.3 -48.1 5.2 -14.9 83.9 310 323 A Q G >4 S+ 0 0 85 32,-0.3 3,-2.0 1,-0.2 6,-0.2 0.858 105.0 62.2 -66.8 -38.1 7.9 -12.4 83.5 311 324 A L G 34 S+ 0 0 1 31,-0.5 -1,-0.2 1,-0.3 -2,-0.2 0.787 102.1 53.2 -61.1 -25.6 10.3 -14.8 81.7 312 325 A R G << S+ 0 0 118 -4,-1.0 2,-0.5 -3,-0.5 -1,-0.3 0.390 91.3 91.6 -90.9 3.6 7.8 -15.0 78.9 313 326 A T S X S- 0 0 65 -3,-2.0 3,-1.8 -4,-0.1 4,-0.3 -0.874 85.9-107.7-103.4 127.3 7.6 -11.2 78.5 314 327 A R T 3 S+ 0 0 166 -2,-0.5 -2,-0.1 1,-0.3 -1,-0.1 -0.121 99.5 14.9 -52.0 141.6 9.9 -9.6 75.9 315 328 A G T 3 S+ 0 0 49 2,-0.1 -1,-0.3 -4,-0.1 -28,-0.1 0.460 87.7 120.2 74.0 -0.1 12.8 -7.5 77.3 316 329 A A < + 0 0 19 -3,-1.8 2,-1.5 -6,-0.2 -2,-0.1 0.911 64.6 64.3 -62.5 -42.7 12.3 -9.0 80.8 317 330 A F S S- 0 0 2 -4,-0.3 -27,-0.3 -6,-0.2 -1,-0.2 -0.673 87.8-153.8 -86.2 90.1 15.9 -10.4 80.7 318 331 A E >> - 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