==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE(PHOSPHORYL,ALCOHOL ACCEPTR) 20-MAR-78 2YHX . COMPND 2 MOLECULE: HEXOKINASE B; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR T.A.STEITZ,C.M.ANDERSON,R.E.STENKAMP . 457 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18457.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 321 70.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 26 5.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 37 8.1 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 . 40 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 47 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 151 33.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 0 0 1 0 1 1 1 1 2 1 2 1 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 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 0 PARALLEL BRIDGES PER LADDER . 2 1 0 2 0 0 0 1 0 1 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 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 2 A A 0 0 68 0, 0.0 2,-0.4 0, 0.0 349,-0.1 0.000 360.0 360.0 360.0 -88.6 28.0 4.5 5.5 2 3 A A >> - 0 0 63 1,-0.0 3,-3.2 347,-0.0 4,-1.2 -0.865 360.0-102.1-107.5 136.7 25.9 5.5 8.6 3 4 A A H 3> S+ 0 0 85 -2,-0.4 4,-2.7 1,-0.3 5,-0.2 0.657 120.9 52.4 -20.5 -58.2 27.3 7.5 11.7 4 5 A X H 3> S+ 0 0 92 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.888 117.4 43.0 -50.5 -42.4 27.6 4.5 14.1 5 6 A D H <> S+ 0 0 25 -3,-3.2 4,-1.8 2,-0.2 -2,-0.3 0.783 108.4 53.6 -76.4 -38.7 29.6 2.9 11.3 6 7 A X H X S+ 0 0 67 -4,-1.2 4,-2.7 2,-0.2 5,-0.2 0.919 108.1 53.4 -68.9 -37.3 31.6 5.8 10.3 7 8 A S H X S+ 0 0 64 -4,-2.7 4,-1.7 1,-0.2 -2,-0.2 0.953 108.8 47.4 -54.0 -57.3 32.8 6.2 13.9 8 9 A L H X S+ 0 0 24 -4,-1.5 4,-1.7 1,-0.2 -1,-0.2 0.830 111.6 53.8 -55.8 -35.8 33.9 2.5 14.0 9 10 A V H X S+ 0 0 22 -4,-1.8 4,-1.5 1,-0.2 -1,-0.2 0.933 106.6 50.1 -68.4 -45.7 35.7 3.1 10.7 10 11 A E H X S+ 0 0 118 -4,-2.7 4,-1.1 1,-0.2 -2,-0.2 0.818 107.9 54.3 -65.8 -23.8 37.6 6.2 11.9 11 12 A V H >X S+ 0 0 68 -4,-1.7 4,-2.1 2,-0.2 3,-0.5 0.925 105.3 50.2 -79.7 -32.3 38.8 4.2 14.9 12 13 A H H 3X S+ 0 0 7 -4,-1.7 4,-2.5 1,-0.2 -1,-0.2 0.815 106.4 59.4 -65.7 -24.1 40.2 1.4 12.7 13 14 A X H 3X S+ 0 0 39 -4,-1.5 4,-0.6 1,-0.2 -1,-0.2 0.824 105.9 47.9 -70.5 -29.4 41.9 4.4 10.9 14 15 A X H << S+ 0 0 157 -4,-1.1 -2,-0.2 -3,-0.5 -1,-0.2 0.892 113.1 47.3 -75.5 -41.8 43.5 5.2 14.3 15 16 A V H < S+ 0 0 51 -4,-2.1 -2,-0.2 1,-0.2 -3,-0.1 0.946 122.2 30.3 -66.6 -49.8 44.6 1.5 14.9 16 17 A F H < S+ 0 0 2 -4,-2.5 2,-0.5 -5,-0.1 -1,-0.2 0.461 92.6 106.7 -96.5 0.2 46.2 0.8 11.4 17 18 A I < - 0 0 89 -4,-0.6 344,-0.0 -5,-0.2 343,-0.0 -0.743 48.0-171.9 -85.2 125.0 47.4 4.3 10.5 18 19 A V - 0 0 8 -2,-0.5 -3,-0.0 4,-0.0 -2,-0.0 -0.952 6.9-157.0-122.0 104.0 51.2 4.6 10.8 19 20 A P >> - 0 0 46 0, 0.0 3,-2.2 0, 0.0 4,-1.7 -0.540 32.2-104.5 -84.7 149.2 52.6 8.1 10.4 20 21 A P H 3> S+ 0 0 35 0, 0.0 4,-4.2 0, 0.0 5,-0.3 0.791 120.6 63.6 -36.6 -40.1 56.3 8.9 9.3 21 22 A X H 3> S+ 0 0 86 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.945 107.0 40.9 -58.3 -42.4 57.0 9.8 12.8 22 23 A I H <> S+ 0 0 47 -3,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.962 117.0 49.0 -65.9 -46.2 56.3 6.2 13.8 23 24 A L H X S+ 0 0 0 -4,-1.7 4,-2.5 1,-0.2 -2,-0.2 0.830 111.1 50.8 -58.9 -36.5 58.2 5.0 10.7 24 25 A Q H X S+ 0 0 95 -4,-4.2 4,-1.9 -5,-0.3 -1,-0.2 0.916 109.6 50.1 -69.6 -41.9 61.1 7.2 11.5 25 26 A A H X S+ 0 0 54 -4,-2.3 4,-1.6 -5,-0.3 5,-0.2 0.939 113.8 45.2 -60.8 -47.7 61.2 5.8 15.1 26 27 A V H X S+ 0 0 0 -4,-2.7 4,-1.8 1,-0.2 3,-0.3 0.940 110.9 52.1 -60.4 -50.2 61.2 2.3 13.8 27 28 A V H X S+ 0 0 3 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.858 107.6 55.9 -54.7 -39.0 63.8 2.9 11.1 28 29 A S H X S+ 0 0 74 -4,-1.9 4,-1.2 2,-0.2 -1,-0.2 0.839 110.2 40.5 -66.0 -43.9 66.1 4.5 13.8 29 30 A I H X S+ 0 0 42 -4,-1.6 4,-2.7 -3,-0.3 -1,-0.2 0.732 109.7 62.8 -81.4 -17.3 66.1 1.5 16.2 30 31 A L H X S+ 0 0 2 -4,-1.8 4,-3.0 -5,-0.2 -2,-0.2 0.948 101.0 51.7 -65.4 -48.8 66.4 -0.6 13.0 31 32 A T H X S+ 0 0 29 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.918 114.3 44.3 -49.7 -47.9 69.8 1.1 12.3 32 33 A T H X S+ 0 0 73 -4,-1.2 4,-3.3 2,-0.2 -1,-0.2 0.893 110.2 51.1 -65.3 -50.1 70.9 0.3 15.7 33 34 A R H X S+ 0 0 25 -4,-2.7 4,-2.1 1,-0.2 11,-0.4 0.925 109.2 54.2 -58.8 -41.1 69.7 -3.3 15.7 34 35 A X H X S+ 0 0 6 -4,-3.0 4,-0.9 2,-0.2 -1,-0.2 0.921 110.6 45.2 -53.0 -52.7 71.5 -3.8 12.4 35 36 A D H >X S+ 0 0 84 -4,-2.0 3,-1.9 1,-0.2 4,-1.8 0.959 109.0 58.0 -54.4 -57.3 74.7 -2.6 14.1 36 37 A D H 3< S+ 0 0 71 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.821 106.6 47.6 -39.0 -47.1 74.0 -4.8 17.1 37 38 A X H 3< S+ 0 0 11 -4,-2.1 -1,-0.3 1,-0.2 4,-0.2 0.657 108.7 52.3 -79.4 -17.8 73.9 -7.8 14.9 38 39 A D H << S+ 0 0 13 -3,-1.9 -1,-0.2 -4,-0.9 -2,-0.2 0.753 102.5 77.9 -85.9 -27.3 77.2 -7.0 13.0 39 40 A S S < S- 0 0 54 -4,-1.8 2,-2.5 2,-0.2 186,-0.2 0.099 115.6 -67.4 -63.9 179.8 78.9 -6.6 16.5 40 41 A S S S- 0 0 119 184,-0.1 2,-0.3 186,-0.0 -1,-0.1 -0.499 118.5 -7.1 -80.5 75.3 80.1 -9.4 18.7 41 42 A A S S+ 0 0 70 -2,-2.5 -2,-0.2 -4,-0.2 2,-0.1 -0.795 72.7 149.7 133.8-166.7 76.5 -10.4 19.4 42 43 A A - 0 0 33 -2,-0.3 -5,-0.1 -4,-0.1 -1,-0.1 -0.106 50.9-103.9 117.9 146.0 73.0 -8.9 18.5 43 44 A S S S+ 0 0 64 -2,-0.1 -1,-0.1 -10,-0.1 3,-0.1 0.620 98.4 76.2 -77.6 -18.1 69.3 -10.1 17.7 44 45 A I S S- 0 0 1 -11,-0.4 201,-0.1 1,-0.2 200,-0.1 -0.860 82.1-138.1 -93.7 124.2 69.4 -9.7 13.8 45 46 A P - 0 0 69 0, 0.0 199,-0.2 0, 0.0 -1,-0.2 0.888 24.2-175.2 -47.6 -48.6 71.4 -12.6 12.5 46 47 A M - 0 0 8 197,-2.4 197,-0.3 1,-0.2 198,-0.1 0.935 14.8-170.8 43.3 61.4 73.2 -10.4 9.9 47 48 A V E -A 242 0A 31 195,-2.0 195,-3.2 1,-0.1 -1,-0.2 -0.703 23.9-113.7 -86.2 122.4 74.9 -13.5 8.5 48 49 A P E -A 241 0A 29 0, 0.0 193,-0.3 0, 0.0 94,-0.2 -0.276 14.3-151.3 -54.6 138.5 77.7 -12.9 6.0 49 50 A G - 0 0 0 191,-4.6 192,-0.2 2,-0.1 3,-0.1 0.655 30.4-129.1 -84.4 -21.5 76.9 -14.1 2.5 50 51 A W + 0 0 15 190,-0.8 2,-0.8 1,-0.2 95,-0.2 0.807 62.9 138.6 71.5 33.5 80.5 -14.7 1.8 51 52 A V + 0 0 1 189,-0.4 189,-1.2 1,-0.1 -1,-0.2 -0.869 22.2 172.3-111.2 91.8 80.3 -12.7 -1.5 52 53 A L + 0 0 18 -2,-0.8 2,-0.4 187,-0.2 -1,-0.1 0.461 52.7 69.2 -77.1 -12.0 83.5 -10.8 -1.2 53 54 A K - 0 0 50 1,-0.2 187,-0.1 -3,-0.1 185,-0.1 -0.910 66.2-141.6-123.6 147.1 83.2 -9.4 -4.8 54 55 A Q - 0 0 104 -2,-0.4 2,-0.3 388,-0.0 -1,-0.2 0.547 39.3-126.2 -65.0-132.9 81.2 -6.9 -6.6 55 56 A V - 0 0 16 142,-0.1 -1,-0.0 1,-0.1 383,-0.0 -0.841 8.8-143.5 179.0 145.3 80.6 -8.3 -10.2 56 57 A S - 0 0 77 -2,-0.3 145,-0.1 143,-0.0 -1,-0.1 0.848 26.8-125.2 -94.7 -38.8 81.1 -6.8 -13.5 57 58 A G S S+ 0 0 3 25,-0.1 26,-5.8 143,-0.1 27,-0.4 0.259 101.3 88.3 97.8 -4.1 78.5 -7.7 -16.0 58 59 A A + 0 0 74 24,-0.3 2,-0.3 25,-0.1 24,-0.2 0.373 56.9 113.9-104.6 1.4 81.6 -8.9 -18.0 59 60 A Q - 0 0 34 22,-0.1 2,-0.3 139,-0.1 24,-0.2 -0.570 48.7-173.9 -74.3 134.9 81.5 -12.4 -16.4 60 61 A A + 0 0 66 -2,-0.3 21,-0.3 21,-0.2 2,-0.2 -0.904 22.3 68.4-133.5 157.3 80.7 -15.1 -19.0 61 62 A G E S-F 80 0B 35 19,-2.2 19,-3.4 -2,-0.3 2,-0.5 -0.625 73.1 -55.5 127.4 175.4 79.9 -18.9 -19.2 62 63 A S E +F 79 0B 57 17,-0.2 2,-0.4 -2,-0.2 17,-0.2 -0.803 51.5 177.2 -96.3 127.5 77.5 -21.6 -18.4 63 64 A F E -F 78 0B 21 15,-2.7 15,-3.9 -2,-0.5 2,-0.3 -0.989 18.8-138.7-138.7 145.6 76.4 -22.1 -14.8 64 65 A L E +Fg 77 132B 1 67,-2.5 69,-2.0 -2,-0.4 2,-0.3 -0.740 21.2 175.4-103.2 147.4 74.0 -24.3 -12.9 65 66 A A E -Fg 76 133B 0 11,-2.2 11,-3.7 -2,-0.3 2,-0.3 -0.985 6.5-177.0-154.6 146.7 71.6 -23.5 -10.2 66 67 A I E +Fg 75 134B 1 67,-2.2 69,-3.9 -2,-0.3 2,-0.3 -0.962 7.7 176.3-142.1 156.7 69.0 -25.1 -8.1 67 68 A V E -Fg 74 135B 23 7,-1.1 7,-2.1 -2,-0.3 2,-0.4 -0.957 12.1-173.5-149.9 129.8 66.5 -24.2 -5.5 68 69 A M E +F 73 0B 11 67,-0.8 69,-0.3 -2,-0.3 5,-0.2 -0.984 10.1 162.3-134.1 154.7 64.0 -26.5 -4.0 69 70 A G - 0 0 21 3,-2.3 2,-0.4 -2,-0.4 25,-0.2 -0.654 61.9 -43.8-138.9-165.7 61.1 -26.1 -1.6 70 71 A G S S+ 0 0 50 -2,-0.2 2,-0.6 1,-0.2 29,-0.1 -0.560 129.3 14.5 -66.7 129.6 58.2 -28.1 -0.8 71 72 A G S S+ 0 0 32 -2,-0.4 23,-2.1 24,-0.1 2,-0.3 -0.412 119.8 30.5 110.8 -62.1 56.9 -29.1 -4.2 72 73 A D E - H 0 93B 73 -2,-0.6 -3,-2.3 21,-0.3 2,-0.4 -0.915 47.7-148.5-141.1 164.1 59.5 -28.5 -6.7 73 74 A L E -FH 68 92B 1 19,-1.4 19,-2.2 -2,-0.3 2,-0.6 -0.992 21.2-154.5-127.6 127.4 63.1 -28.2 -7.6 74 75 A E E -FH 67 91B 47 -7,-2.1 -7,-1.1 -2,-0.4 2,-0.6 -0.929 5.9-165.6-105.2 122.8 64.0 -25.8 -10.2 75 76 A V E -FH 66 90B 0 15,-3.3 15,-1.6 -2,-0.6 2,-0.5 -0.973 10.5-171.1-113.3 126.3 67.1 -26.5 -12.1 76 77 A I E -FH 65 89B 2 -11,-3.7 -11,-2.2 -2,-0.6 2,-0.6 -0.970 16.1-162.2-123.3 131.8 68.4 -23.6 -14.0 77 78 A L E -FH 64 88B 11 11,-2.9 11,-1.5 -2,-0.5 2,-0.5 -0.939 20.9-165.6-105.2 117.9 71.1 -23.5 -16.6 78 79 A I E -FH 63 87B 0 -15,-3.9 -15,-2.7 -2,-0.6 2,-0.6 -0.940 17.4-150.4-124.6 138.8 72.3 -20.0 -17.1 79 80 A S E -FH 62 86B 44 7,-4.4 7,-2.8 -2,-0.5 2,-0.3 -0.878 19.7-162.0 -97.9 109.0 74.4 -18.4 -19.9 80 81 A L E +FH 61 85B 6 -19,-3.4 -19,-2.2 -2,-0.6 5,-0.2 -0.694 17.5 159.2 -95.0 142.1 76.4 -15.4 -18.6 81 82 A A E > - 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D 0 241A 1 24,-1.0 24,-2.6 -2,-0.3 2,-0.6 -0.903 41.7 -90.2-157.6 176.8 73.2 -5.6 0.9 218 219 A W E + D 0 240A 12 -14,-0.5 22,-0.3 -2,-0.3 2,-0.1 -0.913 39.5 171.5-106.8 126.3 76.9 -5.1 0.8 219 220 A C E - D 0 239A 2 20,-4.4 20,-2.5 -2,-0.6 2,-0.4 -0.293 35.5-106.2-106.5-163.5 78.7 -4.1 3.9 220 221 A D > - 0 0 30 18,-0.2 3,-3.2 -2,-0.1 4,-0.1 -0.990 18.4-122.2-139.0 134.5 82.5 -4.0 4.1 221 222 A S G > S+ 0 0 22 -2,-0.4 3,-0.6 1,-0.3 5,-0.3 0.588 108.8 57.3 -43.1 -25.7 84.6 -6.5 6.1 222 223 A T G 3 S+ 0 0 69 1,-0.2 -1,-0.3 3,-0.1 5,-0.0 0.589 102.4 54.7 -87.2 -13.3 86.2 -3.8 8.3 223 224 A X G < S+ 0 0 107 -3,-3.2 -1,-0.2 -184,-0.0 -2,-0.2 0.191 102.5 78.3-104.1 14.6 82.9 -2.5 9.5 224 225 A I S < S- 0 0 28 -3,-0.6 -184,-0.1 -4,-0.1 -186,-0.1 -0.031 80.7-122.6-105.8-154.9 82.0 -6.0 10.7 225 226 A G S S+ 0 0 47 -186,-0.2 -184,-0.1 -188,-0.1 -3,-0.1 -0.355 94.6 83.3-158.9 59.7 82.8 -8.3 13.8 226 227 A D > + 0 0 34 -5,-0.3 2,-1.3 -186,-0.1 3,-1.2 -0.052 59.6 126.6-147.6 -4.8 84.1 -11.2 11.9 227 228 A A T 3 + 0 0 72 1,-0.3 3,-0.1 -6,-0.1 -5,-0.0 -0.638 49.7 70.3 -74.3 95.1 87.3 -9.2 11.9 228 229 A A T 3 S+ 0 0 98 -2,-1.3 2,-0.3 1,-0.1 -1,-0.3 0.098 92.5 56.8 174.0 -6.4 89.6 -11.7 13.3 229 230 A D S < S+ 0 0 62 -3,-1.2 2,-0.2 228,-0.0 -1,-0.1 -0.958 76.4 67.4-145.1 120.3 89.7 -14.1 10.4 230 231 A G + 0 0 30 -2,-0.3 2,-0.1 225,-0.1 4,-0.1 -0.633 27.2 169.4 178.2-114.8 90.8 -13.3 6.8 231 232 A G S S+ 0 0 84 2,-0.4 221,-0.1 -2,-0.2 -1,-0.0 -0.279 82.1 53.0 109.8 -45.7 94.1 -12.3 5.2 232 233 A X S S+ 0 0 80 -2,-0.1 2,-0.7 219,-0.1 -1,-0.1 0.385 84.6 109.0 -99.7 -6.8 93.6 -12.5 1.5 233 234 A X S S- 0 0 33 1,-0.1 2,-7.9 2,-0.0 -2,-0.4 -0.762 94.8-105.0 -86.7 115.7 90.6 -10.3 1.9 234 235 A G - 0 0 77 -2,-0.7 -1,-0.1 1,-0.3 4,-0.1 0.275 52.0-115.2 -19.9 3.8 91.2 -6.9 0.5 235 236 A G S S+ 0 0 65 -2,-7.9 -1,-0.3 2,-0.1 -2,-0.0 0.560 98.1 16.3 61.2 17.5 91.5 -6.0 4.1 236 237 A A S S+ 0 0 48 1,-0.2 2,-0.2 -15,-0.0 -2,-0.1 0.291 98.1 99.6 147.6 68.4 88.4 -3.8 3.9 237 238 A G - 0 0 38 1,-0.0 -1,-0.2 -184,-0.0 -3,-0.2 -0.611 67.1 -5.0 179.9 119.4 86.2 -4.3 0.9 238 239 A X + 0 0 19 -19,-0.3 2,-0.5 -2,-0.2 -18,-0.2 0.965 48.2 165.7 76.9 76.3 83.1 -5.9 -0.2 239 240 A M E - D 0 219A 0 -20,-2.5 -20,-4.4 -189,-0.1 2,-0.3 -0.936 23.1-148.1-125.0 116.6 81.0 -8.2 2.1 240 241 A X E - D 0 218A 3 -189,-1.2 -191,-4.6 -2,-0.5 -190,-0.8 -0.590 18.2-154.9 -77.5 132.9 77.4 -9.3 1.2 241 242 A I E -AD 48 217A 1 -24,-2.6 -24,-1.0 -2,-0.3 2,-1.0 -0.939 19.6-148.1-122.4 137.4 75.1 -9.8 4.2 242 243 A C E -AD 47 216A 2 -195,-3.2 -195,-2.0 -2,-0.4 -26,-0.2 -0.840 20.0-171.8 -97.4 90.7 72.0 -11.9 4.7 243 244 A C - 0 0 3 -28,-1.3 -197,-2.4 -2,-1.0 -1,-0.2 0.904 6.9-164.5 -49.9 -53.2 70.2 -9.7 7.2 244 245 A D + 0 0 56 -29,-0.6 3,-0.4 -199,-0.2 -30,-0.1 0.932 25.5 163.2 52.5 52.8 67.4 -12.2 8.0 245 246 A Q > + 0 0 10 1,-0.2 3,-1.4 -30,-0.2 -31,-0.1 0.097 39.2 106.5 -84.5 15.4 65.7 -9.1 9.6 246 247 A S T 3 S+ 0 0 2 1,-0.2 30,-2.5 29,-0.1 29,-0.5 0.464 80.3 59.4 -74.3 2.8 62.3 -10.7 9.7 247 248 A S T > S+ 0 0 7 -3,-0.4 3,-0.9 26,-0.2 27,-0.3 0.349 72.4 135.1-111.0 0.2 63.1 -10.8 13.4 248 249 A F T < S+ 0 0 1 -3,-1.4 27,-0.1 1,-0.2 -218,-0.1 -0.377 71.8 12.4 -62.9 134.6 63.7 -7.2 14.2 249 250 A R T > + 0 0 8 25,-0.1 3,-0.5 -220,-0.1 -1,-0.2 0.793 65.3 145.2 66.0 45.9 62.0 -6.0 17.4 250 251 A K T < S+ 0 0 57 -3,-0.9 -2,-0.1 1,-0.2 -1,-0.1 0.540 79.2 62.8 -75.8 -7.0 61.1 -9.3 19.0 251 252 A A T 3 S- 0 0 81 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 0.661 100.2-148.0 -86.4 -25.2 62.0 -7.1 22.0 252 253 A F < + 0 0 72 -3,-0.5 5,-0.1 1,-0.1 -2,-0.1 0.677 53.0 134.9 63.4 20.2 59.1 -4.8 21.1 253 254 A P S S+ 0 0 99 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.669 87.9 10.4 -59.9 -11.6 60.4 -1.3 22.3 254 255 A S S S+ 0 0 29 -5,-0.1 -228,-0.1 -228,-0.0 -225,-0.0 0.669 85.1 104.3-153.4 -3.6 59.1 0.2 18.9 255 256 A L S S- 0 0 10 -6,-0.2 2,-2.3 1,-0.1 -232,-0.0 -0.615 72.5-118.1 -76.9 145.7 56.8 -1.7 16.3 256 257 A P - 0 0 42 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 -0.447 41.5-175.8 -86.0 68.5 53.1 -0.3 16.5 257 258 A Q - 0 0 51 -2,-2.3 2,-0.1 -5,-0.1 21,-0.0 -0.592 6.5-160.5 -69.9 109.8 51.9 -3.7 17.5 258 259 A I > - 0 0 17 -2,-0.7 4,-1.4 1,-0.0 5,-0.1 -0.157 36.2 -96.3 -78.1 175.5 48.0 -3.3 17.7 259 260 A X H > S+ 0 0 84 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.847 125.9 58.1 -70.9 -31.5 45.8 -5.9 19.7 260 261 A Y H > S+ 0 0 27 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.856 105.7 49.8 -63.2 -38.2 45.1 -7.8 16.4 261 262 A L H > S+ 0 0 15 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.840 107.4 52.8 -71.7 -37.7 48.9 -8.3 15.9 262 263 A X H X S+ 0 0 62 -4,-1.4 4,-2.6 2,-0.2 -2,-0.2 0.949 110.1 49.7 -61.1 -47.9 49.3 -9.6 19.5 263 264 A T H X S+ 0 0 67 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.906 108.3 50.6 -55.4 -50.5 46.6 -12.1 18.8 264 265 A L H X S+ 0 0 12 -4,-1.9 4,-0.6 2,-0.2 -1,-0.2 0.881 110.5 52.4 -57.6 -41.2 48.2 -13.3 15.6 265 266 A N H >< S+ 0 0 24 -4,-2.1 3,-1.5 1,-0.2 5,-0.3 0.969 110.1 48.5 -53.5 -60.5 51.5 -13.7 17.5 266 267 A X H 3< S+ 0 0 95 -4,-2.6 4,-0.4 1,-0.3 -2,-0.2 0.800 109.3 49.3 -50.9 -44.1 49.9 -15.8 20.1 267 268 A X H 3< S+ 0 0 79 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.614 99.0 88.7 -81.7 -6.2 48.2 -18.1 17.9 268 269 A S S << S- 0 0 25 -3,-1.5 2,-9.5 -4,-0.6 3,-0.1 -0.453 112.9 -82.2 -84.5 159.7 51.3 -18.6 15.9 269 270 A P S S- 0 0 144 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.215 99.0-111.7 -58.4 61.0 53.9 -21.3 16.7 270 271 A X + 0 0 59 -2,-9.5 2,-1.3 -4,-0.4 -4,-0.1 0.748 66.9 11.8 16.0-178.2 54.5 -18.3 18.9 271 272 A A S S+ 0 0 50 -3,-0.1 2,-0.2 -21,-0.0 3,-0.2 -0.077 88.0 91.3 4.5 18.3 56.6 -15.3 19.9 272 273 A X + 0 0 80 -2,-1.3 5,-0.1 1,-0.2 -25,-0.0 -0.642 64.3 32.9-122.6 178.0 59.2 -14.9 17.0 273 274 A K > + 0 0 65 -2,-0.2 4,-2.0 1,-0.1 -26,-0.2 0.871 61.8 166.1 40.9 59.3 59.9 -13.1 13.7 274 275 A T H > + 0 0 4 -27,-0.3 4,-1.7 2,-0.2 -27,-0.2 0.795 68.7 55.7 -79.0 -29.0 58.0 -10.1 14.7 275 276 A F H > S+ 0 0 1 -29,-0.5 4,-0.6 2,-0.2 5,-0.2 0.949 112.4 47.7 -65.8 -38.9 59.2 -7.7 11.9 276 277 A X H >> S+ 0 0 33 -30,-2.5 4,-2.3 1,-0.2 3,-0.9 0.920 109.5 51.8 -62.8 -43.4 57.9 -10.5 9.5 277 278 A K H 3< S+ 0 0 44 -4,-2.0 -1,-0.2 -31,-0.4 -2,-0.2 0.815 111.5 48.1 -64.0 -30.5 54.6 -10.8 11.3 278 279 A N H 3< S+ 0 0 7 -4,-1.7 -1,-0.2 1,-0.1 -2,-0.2 0.473 127.2 21.8 -93.7 -0.4 54.1 -7.0 11.1 279 280 A S H << S+ 0 0 3 -3,-0.9 2,-0.4 -4,-0.6 -2,-0.2 0.393 91.3 110.3-140.9 -3.7 54.8 -6.5 7.4 280 281 A X >< - 0 0 4 -4,-2.3 3,-1.0 -5,-0.2 -69,-0.1 -0.636 55.9-152.0 -77.0 128.8 54.3 -10.0 5.8 281 282 A A G > S+ 0 0 1 -71,-0.6 3,-1.6 -2,-0.4 4,-0.4 0.592 85.4 85.4 -77.8 -7.9 51.3 -10.0 3.6 282 283 A K G 3 S+ 0 0 102 -72,-0.4 3,-0.3 -71,-0.4 -1,-0.2 0.823 95.8 42.0 -60.6 -29.8 50.9 -13.7 4.3 283 284 A N G <> S+ 0 0 35 -3,-1.0 4,-1.2 1,-0.2 -1,-0.3 0.280 85.1 98.4 -99.2 9.1 49.0 -12.6 7.5 284 285 A X H <> S+ 0 0 6 -3,-1.6 4,-1.0 1,-0.2 -1,-0.2 0.797 80.6 52.0 -75.7 -22.5 46.9 -9.8 6.0 285 286 A G H > S+ 0 0 0 -4,-0.4 4,-2.2 -3,-0.3 -1,-0.2 0.836 110.3 50.3 -77.1 -32.4 43.7 -11.8 5.5 286 287 A Q H > S+ 0 0 2 2,-0.2 4,-1.2 1,-0.2 -2,-0.2 0.734 108.9 50.7 -76.6 -25.6 43.8 -13.0 9.2 287 288 A S H X S+ 0 0 10 -4,-1.2 4,-1.2 2,-0.2 -1,-0.2 0.805 112.1 48.4 -78.8 -30.3 44.3 -9.4 10.4 288 289 A L H X S+ 0 0 0 -4,-1.0 4,-1.7 2,-0.2 -2,-0.2 0.894 109.5 52.7 -71.2 -44.8 41.2 -8.5 8.3 289 290 A R H X S+ 0 0 22 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.815 105.1 55.8 -60.7 -39.2 39.2 -11.5 9.7 290 291 A D H X S+ 0 0 29 -4,-1.2 4,-1.6 2,-0.2 -1,-0.2 0.906 109.8 43.0 -66.4 -46.7 39.9 -10.4 13.3 291 292 A V H X S+ 0 0 0 -4,-1.2 4,-1.1 2,-0.2 -1,-0.2 0.861 114.6 51.8 -68.7 -34.0 38.5 -6.8 13.0 292 293 A L H >X S+ 0 0 1 -4,-1.7 4,-1.3 2,-0.2 3,-1.1 0.970 111.4 45.1 -64.0 -55.7 35.6 -8.1 11.1 293 294 A M H 3X S+ 0 0 23 -4,-2.7 4,-1.9 1,-0.3 -1,-0.2 0.806 109.7 58.6 -55.1 -33.3 34.8 -10.7 13.8 294 295 A X H 3X S+ 0 0 54 -4,-1.6 4,-0.9 1,-0.2 -1,-0.3 0.775 107.5 45.2 -69.8 -29.8 35.3 -7.9 16.3 295 296 A F H <<>S+ 0 0 11 -3,-1.1 5,-3.5 -4,-1.1 6,-1.1 0.682 109.4 55.0 -89.5 -19.9 32.6 -5.8 14.7 296 297 A K H ><5S+ 0 0 69 -4,-1.3 3,-1.1 3,-0.2 -2,-0.2 0.911 108.7 48.5 -72.6 -47.7 30.2 -8.7 14.4 297 298 A X H 3<5S+ 0 0 119 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.799 108.4 51.9 -61.7 -39.1 30.5 -9.4 18.1 298 299 A X T 3<5S- 0 0 93 -4,-0.9 -1,-0.3 -5,-0.1 -2,-0.2 0.344 119.0-119.3 -82.7 5.4 29.9 -5.7 18.9 299 300 A G T < 5S+ 0 0 47 -3,-1.1 -3,-0.2 2,-0.2 -2,-0.2 0.735 80.2 119.9 63.5 34.3 26.8 -6.2 16.7 300 301 A Q S S- 0 0 39 -2,-1.8 3,-1.4 -3,-0.1 4,-0.2 -0.942 76.3-110.3-123.7 104.9 38.1 -20.1 11.3 312 313 A A T 3 S+ 0 0 67 -2,-0.5 -2,-0.1 1,-0.3 -26,-0.1 0.038 98.4 0.5 -35.3 128.7 41.6 -19.0 12.0 313 314 A N T 3 S+ 0 0 80 2,-0.1 -1,-0.3 1,-0.1 -27,-0.1 0.788 85.5 135.7 51.5 39.7 43.5 -18.1 8.8 314 315 A V < + 0 0 52 -3,-1.4 2,-0.7 -5,-0.3 -2,-0.1 0.804 64.6 63.7 -75.2 -29.7 40.4 -18.9 6.5 315 316 A E S S- 0 0 3 -4,-0.2 -30,-0.2 -6,-0.2 -26,-0.2 -0.880 76.4-167.9 -99.3 113.6 41.1 -15.8 4.6 316 317 A N > - 0 0 79 -2,-0.7 3,-1.1 -31,-0.2 -33,-0.1 -0.032 45.4 -79.2 -84.1-167.2 44.5 -15.9 2.9 317 318 A T T 3> S+ 0 0 36 1,-0.2 4,-1.3 2,-0.2 5,-0.1 0.726 123.1 69.2 -68.2 -23.7 46.3 -12.9 1.3 318 319 A S H 3> S+ 0 0 40 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.621 86.6 67.9 -75.4 -12.9 44.1 -13.1 -1.8 319 320 A Y H <> S+ 0 0 31 -3,-1.1 4,-2.4 2,-0.2 5,-0.2 0.987 106.8 33.2 -74.4 -61.0 41.1 -11.9 0.1 320 321 A P H > S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.871 118.2 58.9 -61.8 -30.7 42.0 -8.2 0.9 321 322 A A H X S+ 0 0 15 -4,-1.3 4,-1.6 2,-0.2 -2,-0.2 0.925 109.5 41.1 -57.8 -51.2 43.9 -8.2 -2.4 322 323 A K H X S+ 0 0 78 -4,-1.8 4,-0.9 2,-0.2 -1,-0.2 0.851 114.0 52.8 -66.1 -40.9 40.7 -9.0 -4.3 323 324 A I H < S+ 0 0 0 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.847 111.0 47.9 -66.1 -33.5 38.7 -6.6 -2.2 324 325 A Q H < S+ 0 0 29 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.825 109.7 51.4 -75.9 -31.1 41.2 -3.9 -3.0 325 326 A K H < S+ 0 0 117 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.642 76.4 128.3 -81.1 -13.6 41.1 -4.7 -6.7 326 327 A L < - 0 0 6 -4,-0.9 5,-0.1 1,-0.2 -3,-0.1 -0.185 45.0-164.7 -43.4 107.9 37.2 -4.4 -6.6 327 328 A P + 0 0 76 0, 0.0 -1,-0.2 0, 0.0 -4,-0.0 0.806 56.1 50.9 -78.3 -29.5 36.8 -2.0 -9.6 328 329 A H S S- 0 0 115 1,-0.0 -2,-0.0 2,-0.0 0, 0.0 0.957 85.9-110.1 -97.2 -47.7 33.3 -0.5 -9.5 329 330 A F S S+ 0 0 170 0, 0.0 -1,-0.0 0, 0.0 -3,-0.0 0.232 104.4 63.4 152.6 -46.4 31.7 1.0 -6.6 330 331 A D S S- 0 0 78 21,-0.0 5,-0.1 22,-0.0 21,-0.1 0.125 104.7-124.7 -97.0 12.6 28.9 -1.0 -5.2 331 332 A L >> + 0 0 14 1,-0.1 4,-1.9 -5,-0.1 3,-0.6 0.829 44.9 172.9 38.8 54.9 31.9 -3.4 -4.6 332 333 A R H 3> S+ 0 0 125 1,-0.2 4,-1.6 2,-0.2 -1,-0.1 0.789 71.4 57.7 -55.3 -36.6 30.1 -6.1 -6.5 333 334 A X H 3> S+ 0 0 88 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.868 106.2 47.4 -71.8 -35.6 33.2 -8.4 -6.4 334 335 A X H <> S+ 0 0 0 -3,-0.6 4,-3.5 2,-0.2 5,-0.3 0.921 110.0 52.7 -70.7 -43.9 33.5 -8.4 -2.5 335 336 A X H X S+ 0 0 58 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.887 109.3 50.5 -57.1 -40.2 29.8 -9.2 -2.1 336 337 A D H < S+ 0 0 113 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.890 114.4 45.0 -61.9 -43.1 30.3 -12.1 -4.5 337 338 A L H < S+ 0 0 15 -4,-1.5 5,-0.4 1,-0.1 6,-0.3 0.927 115.1 42.6 -66.1 -59.4 33.2 -13.3 -2.4 338 339 A F H X>S+ 0 0 2 -4,-3.5 4,-2.3 3,-0.2 6,-1.3 0.972 111.2 62.6 -58.6 -56.3 31.8 -12.9 1.1 339 340 A X H >X>S+ 0 0 46 -4,-2.0 4,-4.8 -5,-0.3 3,-3.2 0.641 118.7 10.1 -32.4-133.0 28.5 -14.4 -0.1 340 341 A G H 345S+ 0 0 64 1,-0.3 -1,-0.3 2,-0.3 -2,-0.1 -0.508 125.1 59.2 -63.9 97.4 29.1 -17.9 -1.2 341 342 A D H 345S+ 0 0 82 -2,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 -0.335 135.5 6.4 177.2 -46.8 32.6 -18.3 0.0 342 343 A Q H <<5S- 0 0 17 -3,-3.2 -2,-0.3 -4,-2.3 -34,-0.3 0.379 101.3-124.4-121.6 -17.1 31.4 -17.6 3.5 343 344 A G T << + 0 0 51 -4,-4.8 -37,-0.4 -5,-1.0 2,-0.3 0.793 62.6 142.8 71.2 31.1 27.7 -17.5 2.7 344 345 A I < - 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